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 bmr19446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 -4.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.32 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 3.02 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 SER 2.67 2.30 0 66 VAL 5.23 3.26 0 70 TYR -1.67 0.56 0 10 LEU -6.39 -2.80 1 11 VAL -3.39 -2.83 1 13 ASN -4.76 -2.70 1 14 LEU 2.88 1.36 1 16 GLN -5.31 -2.94 1 17 ASP 4.59 0.92 1 19 GLU -2.39 -2.89 1 20 VAL -1.66 -1.79 1 21 ARG -4.65 -3.03 1 22 TYR -1.03 -1.20 1 23 MET 0.38 -0.75 1 25 ASN 1.32 -1.00 1 28 ALA -2.59 -1.67 1 29 VAL -4.16 -2.78 1 30 ALA -6.29 -3.94 1 31 ASN -2.31 -1.67 1 32 ILE -5.37 -3.33 1 33 THR -1.39 -1.93 1 34 LEU -6.08 -2.40 1 35 ALA -1.86 -2.67 1 36 THR -3.11 -2.54 1 37 SER -1.60 -1.64 1 38 GLU -3.59 -2.77 1 39 SER -2.95 -2.06 1 40 TRP -2.54 -1.69 1 41 ARG -1.16 -1.83 1 42 ASP -1.39 -1.05 1 43 LYS 3.40 1.85 1 44 ALA 1.96 1.13 1 45 THR -2.08 -1.16 1 47 GLU -1.47 -2.07 1 48 MET 0.75 -1.99 1 49 LYS -3.03 -2.86 1 50 GLU -3.06 -2.84 1 51 GLN -3.80 -1.76 1 52 THR -0.09 -0.46 1 53 GLU -3.94 -3.31 1 54 TRP -2.93 -2.11 1 55 HIS -2.94 -1.57 1 56 ARG 0.19 -0.65 1 57 VAL -3.29 -2.85 1 58 VAL -2.67 -2.30 1 59 LEU -3.84 -2.73 1 60 PHE -4.59 -1.80 1 62 LYS 4.03 2.00 1 63 LEU 2.93 1.48 1 64 ALA 2.77 1.14 1 65 GLU 3.97 1.23 1 67 ALA 3.30 1.59 1 68 SER 3.02 1.53 1 69 GLU 2.04 0.49 1 71 LEU -1.40 -1.61 1 72 ARG -7.38 -4.02 1 73 LYS 3.99 2.44 1 76 GLN -1.69 -1.59 1 77 VAL -6.63 -3.68 1 78 TYR -4.42 -2.59 1 79 ILE -6.78 -4.62 1 80 GLU -4.02 -3.16 1 82 GLN -4.42 -2.49 1 83 LEU -0.84 -0.71 1 84 ARG -4.01 -1.92 1 85 THR -0.74 -0.97 1 86 ARG -3.68 -2.20 1 87 LYS -2.56 -2.09 1 88 TRP -2.63 -2.65 1 89 THR -1.16 -1.49 1 90 ASP -2.03 -2.56 1 91 GLN 3.89 1.78 1 92 SER -0.27 -0.81 1 94 GLN -1.14 -1.91 1 95 ASP 1.11 -1.03 1 96 ARG -4.03 -3.64 1 97 TYR -3.38 -2.00 1 98 THR -2.07 -1.29 1 99 THR -1.44 -1.16 1 100 GLU -5.23 -3.72 1 101 VAL -0.41 -1.61 1 102 VAL -2.39 -2.23 1 103 VAL 1.56 -0.91 1 104 ASN -1.74 -2.22 1 105 VAL 4.52 2.10 1 108 THR -1.15 -0.76 1 109 MET -3.53 -1.20 1 110 GLN -4.26 -2.48 1 111 MET 0.90 0.36 1 112 LEU -1.16 -1.71 1 115 ARG 0.29 -0.77 1 120 ALA -0.17 -0.99 1 122 ALA 0.04 -0.81 1 125 ASN 0.08 -0.88 1 126 ILE 0.62 -0.52 1 130 GLN -0.44 -0.99 1 132 GLN 0.46 -0.52 1 135 TRP -0.11 -0.98 1 137 GLN -0.16 -1.01 1 139 GLN -0.17 -0.93 1 140 GLN -0.15 -0.97 1 142 GLN 0.16 -0.69 1 145 ASN 0.20 -0.76 1 146 GLN 0.90 -0.34 1 147 PHE 0.12 -1.01 1 148 SER -0.08 -0.90 1 151 ALA 0.25 -0.66 1 152 GLN 0.30 -0.70 1 153 SER -0.07 -0.92 1 154 ARG -0.07 -0.95 1 156 GLN 0.24 -0.66 1 157 GLN 0.51 -0.77 1 158 SER -0.23 -1.01 1 159 ALA -0.23 -1.00 1 161 ALA -0.67 -1.37 1 162 ALA -0.34 -1.13 1 164 SER -0.10 -0.90 1 165 ASN 0.12 -0.94 1 166 GLU -0.16 -1.48 1 169 MET 0.17 -0.67 1 170 ASP 0.54 -1.96 1 171 PHE 0.04 -0.63 1 172 ASP 0.78 -1.81 1 173 ASP 1.16 -1.57 1 174 ASP 1.16 -1.78 1 175 ILE -0.30 -1.16 1 177 PHE 0.42 -0.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.03 _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 5.22 _LACS_plot.Line_2_terminator_val_y_2 -2.20 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 SER 2.67 -0.37 0 66 VAL 5.23 -1.97 0 70 TYR -1.67 2.23 0 10 LEU -6.39 3.59 1 11 VAL -3.39 0.56 1 13 ASN -4.76 2.06 1 14 LEU 2.88 -1.52 1 16 GLN -5.31 2.37 1 17 ASP 4.59 -3.67 1 19 GLU -2.39 -0.50 1 20 VAL -1.66 -0.13 1 21 ARG -4.65 1.62 1 22 TYR -1.03 -0.17 1 23 MET 0.38 -1.13 1 25 ASN 1.32 -2.32 1 28 ALA -2.59 0.92 1 29 VAL -4.16 1.38 1 30 ALA -6.29 2.35 1 31 ASN -2.31 0.64 1 32 ILE -5.37 2.04 1 33 THR -1.39 -0.54 1 34 LEU -6.08 3.68 1 35 ALA -1.86 -0.81 1 36 THR -3.11 0.57 1 37 SER -1.60 -0.04 1 38 GLU -3.59 0.82 1 39 SER -2.95 0.89 1 40 TRP -2.54 0.85 1 41 ARG -1.16 -0.67 1 42 ASP -1.39 0.34 1 43 LYS 3.40 -1.55 1 44 ALA 1.96 -0.83 1 45 THR -2.08 0.92 1 47 GLU -1.47 -0.60 1 48 MET 0.75 -2.74 1 49 LYS -3.03 0.17 1 50 GLU -3.06 0.22 1 51 GLN -3.80 2.04 1 52 THR -0.09 -0.37 1 53 GLU -3.94 0.63 1 54 TRP -2.93 0.82 1 55 HIS -2.94 1.37 1 56 ARG 0.19 -0.84 1 57 VAL -3.29 0.44 1 58 VAL -2.67 0.37 1 59 LEU -3.84 1.11 1 60 PHE -4.59 2.79 1 62 LYS 4.03 -2.03 1 63 LEU 2.93 -1.45 1 64 ALA 2.77 -1.63 1 65 GLU 3.97 -2.74 1 67 ALA 3.30 -1.71 1 68 SER 3.02 -1.49 1 69 GLU 2.04 -1.55 1 71 LEU -1.40 -0.21 1 72 ARG -7.38 3.36 1 73 LYS 3.99 -1.55 1 76 GLN -1.69 0.10 1 77 VAL -6.63 2.95 1 78 TYR -4.42 1.83 1 79 ILE -6.78 2.16 1 80 GLU -4.02 0.86 1 82 GLN -4.42 1.93 1 83 LEU -0.84 0.13 1 84 ARG -4.01 2.09 1 85 THR -0.74 -0.23 1 86 ARG -3.68 1.48 1 87 LYS -2.56 0.47 1 88 TRP -2.63 -0.02 1 89 THR -1.16 -0.33 1 90 ASP -2.03 -0.53 1 91 GLN 3.89 -2.11 1 92 SER -0.27 -0.54 1 94 GLN -1.14 -0.77 1 95 ASP 1.11 -2.14 1 96 ARG -4.03 0.39 1 97 TYR -3.38 1.38 1 98 THR -2.07 0.78 1 99 THR -1.44 0.28 1 100 GLU -5.23 1.51 1 101 VAL -0.41 -1.20 1 102 VAL -2.39 0.16 1 103 VAL 1.56 -2.47 1 104 ASN -1.74 -0.48 1 105 VAL 4.52 -2.42 1 108 THR -1.15 0.39 1 109 MET -3.53 2.33 1 110 GLN -4.26 1.78 1 111 MET 0.90 -0.54 1 112 LEU -1.16 -0.55 1 115 ARG 0.29 -1.06 1 120 ALA -0.17 -0.82 1 122 ALA 0.04 -0.85 1 125 ASN 0.08 -0.96 1 126 ILE 0.62 -1.14 1 130 GLN -0.44 -0.55 1 132 GLN 0.46 -0.98 1 135 TRP -0.11 -0.87 1 137 GLN -0.16 -0.85 1 139 GLN -0.17 -0.76 1 140 GLN -0.15 -0.82 1 142 GLN 0.16 -0.85 1 145 ASN 0.20 -0.96 1 146 GLN 0.90 -1.24 1 147 PHE 0.12 -1.13 1 148 SER -0.08 -0.82 1 151 ALA 0.25 -0.91 1 152 GLN 0.30 -1.00 1 153 SER -0.07 -0.85 1 154 ARG -0.07 -0.88 1 156 GLN 0.24 -0.90 1 157 GLN 0.51 -1.28 1 158 SER -0.23 -0.78 1 159 ALA -0.23 -0.77 1 161 ALA -0.67 -0.70 1 162 ALA -0.34 -0.79 1 164 SER -0.10 -0.80 1 165 ASN 0.12 -1.06 1 166 GLU -0.16 -1.32 1 169 MET 0.17 -0.84 1 170 ASP 0.54 -2.50 1 171 PHE 0.04 -0.67 1 172 ASP 0.78 -2.59 1 173 ASP 1.16 -2.73 1 174 ASP 1.16 -2.94 1 175 ILE -0.30 -0.86 1 177 PHE 0.42 -0.48 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 LEU -6.39 0.29 0 14 LEU 2.88 0.47 0 73 LYS 3.99 -0.95 0 72 ARG -7.38 0.39 0 11 VAL -3.39 0.96 1 13 ASN -4.76 1.21 1 16 GLN -5.31 0.24 1 17 ASP 4.59 -0.30 1 19 GLU -2.39 0.33 1 20 VAL -1.66 0.63 1 21 ARG -4.65 0.22 1 22 TYR -1.03 0.39 1 23 MET 0.38 0.05 1 25 ASN 1.32 -0.10 1 28 ALA -2.59 0.38 1 29 VAL -4.16 0.55 1 30 ALA -6.29 1.06 1 31 ASN -2.31 0.52 1 32 ILE -5.37 0.72 1 33 THR -1.39 0.76 1 34 LEU -6.08 0.61 1 35 ALA -1.86 0.33 1 36 THR -3.11 0.45 1 37 SER -1.60 0.69 1 38 GLU -3.59 0.47 1 39 SER -2.95 1.04 1 40 TRP -2.54 0.19 1 41 ARG -1.16 0.19 1 42 ASP -1.39 0.00 1 43 LYS 3.40 -0.32 1 44 ALA 1.96 -0.01 1 45 THR -2.08 0.13 1 47 GLU -1.47 -0.07 1 48 MET 0.75 0.28 1 49 LYS -3.03 0.01 1 50 GLU -3.06 0.79 1 51 GLN -3.80 0.41 1 52 THR -0.09 0.53 1 53 GLU -3.94 0.22 1 54 TRP -2.93 0.63 1 55 HIS -2.94 0.17 1 56 ARG 0.19 0.48 1 57 VAL -3.29 0.99 1 58 VAL -2.67 0.71 1 60 PHE -4.59 0.59 1 62 LYS 4.03 -0.21 1 63 LEU 2.93 -0.24 1 64 ALA 2.77 -0.60 1 65 GLU 3.97 -0.40 1 66 VAL 5.23 -0.30 1 67 ALA 3.30 -0.41 1 69 GLU 2.04 -0.30 1 70 TYR -1.67 0.22 1 71 LEU -1.40 0.36 1 75 SER 2.67 -0.05 1 76 GLN -1.69 0.79 1 77 VAL -6.63 1.03 1 78 TYR -4.42 0.61 1 79 ILE -6.78 0.62 1 80 GLU -4.02 0.88 1 82 GLN -4.42 0.66 1 83 LEU -0.84 0.47 1 84 ARG -4.01 0.49 1 85 THR -0.74 0.81 1 86 ARG -3.68 0.37 1 87 LYS -2.56 0.70 1 88 TRP -2.63 0.21 1 89 THR -1.16 0.38 1 90 ASP -2.03 0.12 1 91 GLN 3.89 -0.17 1 92 SER -0.27 0.10 1 94 GLN -1.14 -0.06 1 95 ASP 1.11 0.04 1 96 ARG -4.03 -0.10 1 97 TYR -3.38 0.89 1 98 THR -2.07 0.46 1 99 THR -1.44 0.98 1 100 GLU -5.23 0.65 1 101 VAL -0.41 0.52 1 102 VAL -2.39 0.72 1 103 VAL 1.56 0.21 1 104 ASN -1.74 0.28 1 105 VAL 4.52 -0.15 1 108 THR -1.15 0.30 1 109 MET -3.53 0.89 1 110 GLN -4.26 0.41 1 111 MET 0.90 0.05 1 112 LEU -1.16 0.23 1 115 ARG 0.29 0.00 1 120 ALA -0.17 -0.07 1 122 ALA 0.04 -0.01 1 125 ASN 0.08 0.01 1 126 ILE 0.62 0.00 1 130 GLN -0.44 -0.06 1 132 GLN 0.46 -0.07 1 135 TRP -0.11 -0.03 1 137 GLN -0.16 -0.09 1 139 GLN -0.17 -0.04 1 142 GLN 0.16 -0.01 1 145 ASN 0.20 -0.06 1 146 GLN 0.90 -0.12 1 147 PHE 0.12 0.07 1 148 SER -0.08 -0.03 1 151 ALA 0.25 -0.02 1 152 GLN 0.30 0.00 1 153 SER -0.07 -0.04 1 154 ARG -0.07 -0.01 1 156 GLN 0.24 -0.05 1 157 GLN 0.51 0.04 1 158 SER -0.23 -0.03 1 161 ALA -0.67 -0.03 1 164 SER -0.10 -0.04 1 165 ASN 0.12 0.02 1 166 GLU -0.16 -0.10 1 169 MET 0.17 -0.21 1 170 ASP 0.54 -0.07 1 171 PHE 0.04 -0.17 1 172 ASP 0.78 -0.06 1 173 ASP 1.16 0.02 1 174 ASP 1.16 -0.02 1 175 ILE -0.30 -0.19 1 177 PHE 0.42 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 -4.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.92 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 0.73 _LACS_plot.Y_axis_chem_shift_offset 1.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 ASP 4.59 -2.16 0 60 PHE -4.59 0.88 0 177 PHE 0.42 2.92 0 10 LEU -6.39 -4.60 1 11 VAL -3.39 -1.26 1 13 ASN -4.76 -0.27 1 14 LEU 2.88 1.94 1 16 GLN -5.31 -2.32 1 19 GLU -2.39 -2.66 1 20 VAL -1.66 -2.52 1 21 ARG -4.65 -3.82 1 22 TYR -1.03 -0.31 1 23 MET 0.38 0.38 1 25 ASN 1.32 -0.28 1 28 ALA -2.59 -2.19 1 29 VAL -4.16 -3.69 1 30 ALA -6.29 -3.95 1 31 ASN -2.31 -1.22 1 32 ILE -5.37 -3.15 1 33 THR -1.39 -2.02 1 34 LEU -6.08 -3.68 1 35 ALA -1.86 -0.92 1 36 THR -3.11 -2.23 1 37 SER -1.60 -1.72 1 38 GLU -3.59 -2.91 1 39 SER -2.95 -1.82 1 40 TRP -2.54 -4.61 1 41 ARG -1.16 -1.38 1 42 ASP -1.39 -0.17 1 43 LYS 3.40 0.14 1 44 ALA 1.96 0.85 1 45 THR -2.08 0.93 1 47 GLU -1.47 -1.96 1 48 MET 0.75 -1.31 1 49 LYS -3.03 -3.07 1 50 GLU -3.06 -2.16 1 51 GLN -3.80 -2.54 1 52 THR -0.09 -2.10 1 53 GLU -3.94 -3.52 1 54 TRP -2.93 -0.43 1 55 HIS -2.94 -1.43 1 56 ARG 0.19 -2.40 1 57 VAL -3.29 -3.74 1 58 VAL -2.67 -3.14 1 59 LEU -3.84 -3.38 1 62 LYS 4.03 1.26 1 63 LEU 2.93 0.10 1 64 ALA 2.77 0.29 1 65 GLU 3.97 1.75 1 66 VAL 5.23 1.12 1 67 ALA 3.30 -0.10 1 68 SER 3.02 0.81 1 69 GLU 2.04 0.38 1 70 TYR -1.67 -0.62 1 71 LEU -1.40 -3.04 1 72 ARG -7.38 -2.51 1 73 LYS 3.99 -0.66 1 75 SER 2.67 -3.08 1 76 GLN -1.69 -0.97 1 77 VAL -6.63 -5.57 1 78 TYR -4.42 -2.45 1 79 ILE -6.78 -3.75 1 80 GLU -4.02 -2.07 1 82 GLN -4.42 -1.98 1 83 LEU -0.84 -1.56 1 84 ARG -4.01 -2.60 1 85 THR -0.74 -1.90 1 86 ARG -3.68 -3.41 1 87 LYS -2.56 -1.92 1 88 TRP -2.63 -4.01 1 89 THR -1.16 -1.23 1 90 ASP -2.03 0.62 1 91 GLN 3.89 -0.18 1 92 SER -0.27 -0.80 1 94 GLN -1.14 -1.87 1 95 ASP 1.11 -2.37 1 96 ARG -4.03 -3.64 1 97 TYR -3.38 -0.43 1 98 THR -2.07 -2.39 1 99 THR -1.44 -1.72 1 100 GLU -5.23 -4.46 1 101 VAL -0.41 -2.57 1 102 VAL -2.39 -1.26 1 103 VAL 1.56 -3.40 1 104 ASN -1.74 -0.90 1 105 VAL 4.52 -0.05 1 108 THR -1.15 -4.10 1 109 MET -3.53 -3.02 1 110 GLN -4.26 -2.19 1 111 MET 0.90 -1.63 1 112 LEU -1.16 -1.34 1 115 ARG 0.29 -0.77 1 120 ALA -0.17 -1.27 1 122 ALA 0.04 -0.49 1 125 ASN 0.08 -0.76 1 126 ILE 0.62 -0.50 1 130 GLN -0.44 -1.25 1 132 GLN 0.46 -0.39 1 135 TRP -0.11 -0.25 1 137 GLN -0.16 1.39 1 139 GLN -0.17 -1.17 1 140 GLN -0.15 -1.32 1 142 GLN 0.16 -0.38 1 145 ASN 0.20 -0.74 1 146 GLN 0.90 -1.25 1 147 PHE 0.12 -0.82 1 148 SER -0.08 -0.66 1 151 ALA 0.25 -0.81 1 152 GLN 0.30 -0.93 1 153 SER -0.07 -1.53 1 154 ARG -0.07 -1.33 1 156 GLN 0.24 -0.91 1 157 GLN 0.51 -1.16 1 158 SER -0.23 -1.94 1 159 ALA -0.23 -1.56 1 161 ALA -0.67 -1.73 1 162 ALA -0.34 -1.33 1 164 SER -0.10 -1.17 1 165 ASN 0.12 -1.56 1 166 GLU -0.16 -2.57 1 169 MET 0.17 -1.76 1 170 ASP 0.54 -2.21 1 171 PHE 0.04 -1.59 1 172 ASP 0.78 -2.48 1 174 ASP 1.16 -2.50 1 175 ILE -0.30 -1.59 1 stop_ save_