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 bmr30002_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.70 _LACS_plot.Line_1_terminator_val_y_1 -0.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 7.04 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 HIS 3.37 4.95 0 10 ASP -0.68 -0.06 1 12 SER 0.82 0.72 1 13 VAL -0.24 -0.37 1 14 GLU -0.62 0.13 1 17 LEU 0.12 0.17 1 18 SER -0.13 0.09 1 19 GLN 1.20 1.13 1 20 GLU 0.49 0.54 1 21 THR 1.13 0.97 1 22 PHE 1.59 0.69 1 23 SER 2.06 1.65 1 24 ASP 1.59 1.07 1 25 LEU 2.30 1.73 1 26 TRP 1.16 0.58 1 27 LYS 1.90 1.25 1 28 LEU 0.43 0.17 1 29 LEU -0.15 -0.33 1 31 GLU 0.49 0.54 1 32 ASN 0.17 0.29 1 33 ASN 0.17 0.29 1 34 VAL 0.70 0.57 1 35 LEU 0.11 -0.15 1 36 SER -0.29 -0.20 1 38 LEU -0.15 -0.02 1 40 SER 0.50 0.40 1 41 GLN 0.26 0.50 1 42 ALA 0.04 0.27 1 44 ASP 1.59 1.38 1 45 ASP 0.65 0.75 1 46 LEU 0.43 0.48 1 47 MET 0.00 0.18 1 48 LEU -1.45 -0.46 1 49 SER -0.91 -0.51 1 51 ASP 2.53 2.32 1 52 ASP 1.90 2.32 1 53 ILE 2.70 1.98 1 54 GLU 2.05 2.10 1 55 GLN 1.51 1.75 1 57 PHE 0.65 0.07 1 58 THR 0.50 0.65 1 59 GLU -0.45 -0.08 1 60 ASP -0.37 0.25 1 64 ASP 0.34 0.44 1 66 SER 0.18 0.40 1 68 PHE 0.34 0.07 1 69 ASN 0.17 0.29 1 71 THR -0.12 0.03 1 72 ALA 0.04 0.27 1 73 THR -0.75 -0.60 1 76 THR 0.81 0.34 1 77 ALA -0.59 -0.36 1 78 ASP -0.99 0.25 1 80 GLU 2.98 2.10 1 83 LYS 3.46 2.50 1 84 LEU 2.93 2.67 1 85 ILE 5.20 4.17 1 86 GLN 4.32 3.94 1 87 GLN 4.02 3.32 1 89 LEU 3.55 2.98 1 90 VAL 6.01 4.63 1 92 LEU 2.92 3.60 1 93 LEU 4.18 2.98 1 94 HIS 6.81 5.58 1 95 ALA 2.85 2.77 1 97 LYS 2.53 1.88 1 100 ARG 3.03 1.77 1 101 ARG 1.78 1.77 1 102 GLU 1.12 1.17 1 103 GLN 1.20 0.82 1 104 ALA 0.97 0.89 1 105 ASN 0.18 -0.02 1 107 GLU -1.08 -0.40 1 108 VAL 0.07 -0.06 1 109 ARG -0.41 -0.42 1 110 ALA -0.59 -0.36 1 112 SER -0.43 -0.53 1 113 LEU 0.78 0.60 1 115 HIS 2.13 2.77 1 117 ARG 5.52 3.64 1 118 THR 5.50 4.40 1 119 MET 2.81 1.43 1 120 LYS 5.33 5.00 1 121 ASN 4.55 3.10 1 122 VAL 6.01 4.94 1 123 LEU 4.48 3.60 1 124 ASN 3.61 3.10 1 125 HIS 5.88 4.33 1 126 MET 2.81 4.24 1 127 THR 3.94 3.47 1 128 HIS -1.31 -0.36 1 130 GLN -0.99 -0.75 1 131 ALA 0.04 0.58 1 133 LYS 3.15 2.19 1 134 ALA -0.58 -0.98 1 136 GLN -0.05 -0.12 1 137 VAL 4.45 2.13 1 138 ALA 3.17 1.52 1 139 HIS 3.06 2.45 1 141 ALA 4.10 3.08 1 142 SER 4.56 2.59 1 143 SER 6.43 5.40 1 144 ARG 4.90 4.27 1 145 GLN 3.70 3.32 1 146 ILE 5.51 5.10 1 147 ILE 5.20 3.85 1 148 SER 4.87 3.84 1 150 TRP 1.79 2.14 1 151 LYS 2.52 2.19 1 152 ASN -1.70 0.29 1 154 THR -1.06 -1.22 1 155 ARG -0.42 0.20 1 156 HIS 2.75 3.08 1 157 ASP -0.60 -2.06 1 160 VAL 3.20 3.38 1 162 LEU 8.91 6.85 1 164 LEU 0.43 0.48 1 165 LYS 1.90 1.57 1 166 ASN 0.17 0.29 1 167 ALA 0.66 0.58 1 168 SER 0.18 0.40 1 169 ASP 0.34 0.13 1 170 LYS 0.33 0.00 1 171 ARG 0.83 1.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30002_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.70 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -1.87 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 HIS 3.37 1.58 0 10 ASP -0.68 0.62 1 12 SER 0.82 -0.10 1 13 VAL -0.24 -0.13 1 14 GLU -0.62 0.75 1 17 LEU 0.12 0.05 1 18 SER -0.13 0.22 1 19 GLN 1.20 -0.07 1 20 GLU 0.49 0.05 1 21 THR 1.13 -0.16 1 22 PHE 1.59 -0.90 1 23 SER 2.06 -0.41 1 24 ASP 1.59 -0.52 1 25 LEU 2.30 -0.57 1 26 TRP 1.16 -0.58 1 27 LYS 1.90 -0.65 1 28 LEU 0.43 -0.26 1 29 LEU -0.15 -0.18 1 31 GLU 0.49 0.05 1 32 ASN 0.17 0.12 1 33 ASN 0.17 0.12 1 34 VAL 0.70 -0.13 1 35 LEU 0.11 -0.26 1 36 SER -0.29 0.09 1 38 LEU -0.15 0.13 1 40 SER 0.50 -0.10 1 41 GLN 0.26 0.24 1 42 ALA 0.04 0.23 1 44 ASP 1.59 -0.21 1 45 ASP 0.65 0.10 1 46 LEU 0.43 0.05 1 47 MET 0.00 0.18 1 48 LEU -1.45 0.99 1 49 SER -0.91 0.40 1 51 ASP 2.53 -0.21 1 52 ASP 1.90 0.42 1 53 ILE 2.70 -0.72 1 54 GLU 2.05 0.05 1 55 GLN 1.51 0.24 1 57 PHE 0.65 -0.58 1 58 THR 0.50 0.15 1 59 GLU -0.45 0.37 1 60 ASP -0.37 0.62 1 64 ASP 0.34 0.10 1 66 SER 0.18 0.22 1 68 PHE 0.34 -0.27 1 69 ASN 0.17 0.12 1 71 THR -0.12 0.15 1 72 ALA 0.04 0.23 1 73 THR -0.75 0.15 1 76 THR 0.81 -0.47 1 77 ALA -0.59 0.23 1 78 ASP -0.99 1.24 1 80 GLU 2.98 -0.88 1 83 LYS 3.46 -0.96 1 84 LEU 2.93 -0.26 1 85 ILE 5.20 -1.03 1 86 GLN 4.32 -0.38 1 87 GLN 4.02 -0.70 1 89 LEU 3.55 -0.57 1 90 VAL 6.01 -1.38 1 92 LEU 2.92 0.68 1 93 LEU 4.18 -1.20 1 94 HIS 6.81 -1.23 1 95 ALA 2.85 -0.08 1 97 LYS 2.53 -0.65 1 100 ARG 3.03 -1.26 1 101 ARG 1.78 -0.01 1 102 GLU 1.12 0.05 1 103 GLN 1.20 -0.38 1 104 ALA 0.97 -0.08 1 105 ASN 0.18 -0.20 1 107 GLU -1.08 0.68 1 108 VAL 0.07 -0.13 1 109 ARG -0.41 -0.01 1 110 ALA -0.59 0.23 1 112 SER -0.43 -0.10 1 113 LEU 0.78 -0.18 1 115 HIS 2.13 0.64 1 117 ARG 5.52 -1.88 1 118 THR 5.50 -1.10 1 119 MET 2.81 -1.38 1 120 LYS 5.33 -0.33 1 121 ASN 4.55 -1.45 1 122 VAL 6.01 -1.07 1 123 LEU 4.48 -0.88 1 124 ASN 3.61 -0.51 1 125 HIS 5.88 -1.55 1 126 MET 2.81 1.43 1 127 THR 3.94 -0.47 1 128 HIS -1.31 0.95 1 130 GLN -0.99 0.24 1 131 ALA 0.04 0.54 1 133 LYS 3.15 -0.96 1 134 ALA -0.58 -0.40 1 136 GLN -0.05 -0.07 1 137 VAL 4.45 -2.32 1 138 ALA 3.17 -1.65 1 139 HIS 3.06 -0.61 1 141 ALA 4.10 -1.02 1 142 SER 4.56 -1.97 1 143 SER 6.43 -1.03 1 144 ARG 4.90 -0.63 1 145 GLN 3.70 -0.38 1 146 ILE 5.51 -0.41 1 147 ILE 5.20 -1.35 1 148 SER 4.87 -1.03 1 150 TRP 1.79 0.35 1 151 LYS 2.52 -0.33 1 152 ASN -1.70 1.99 1 154 THR -1.06 -0.16 1 155 ARG -0.42 0.62 1 156 HIS 2.75 0.33 1 157 ASP -0.60 -1.46 1 160 VAL 3.20 0.18 1 162 LEU 8.91 -2.06 1 164 LEU 0.43 0.05 1 165 LYS 1.90 -0.33 1 166 ASN 0.17 0.12 1 167 ALA 0.66 -0.08 1 168 SER 0.18 0.22 1 169 ASP 0.34 -0.21 1 170 LYS 0.33 -0.33 1 171 ARG 0.83 0.62 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30002_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.70 _LACS_plot.Line_1_terminator_val_y_1 0.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _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 151 LYS 2.52 -0.85 0 10 ASP -0.68 -0.03 1 12 SER 0.82 -0.09 1 13 VAL -0.24 0.04 1 14 GLU -0.62 -0.06 1 17 LEU 0.12 -0.05 1 18 SER -0.13 -0.03 1 19 GLN 1.20 -0.05 1 20 GLU 0.49 -0.07 1 21 THR 1.13 -0.15 1 22 PHE 1.59 -0.19 1 23 SER 2.06 -0.28 1 24 ASP 1.59 -0.13 1 25 LEU 2.30 -0.38 1 26 TRP 1.16 -0.18 1 27 LYS 1.90 -0.22 1 28 LEU 0.43 -0.09 1 29 LEU -0.15 -0.13 1 31 GLU 0.49 -0.16 1 32 ASN 0.17 -0.03 1 33 ASN 0.17 -0.04 1 34 VAL 0.70 -0.03 1 35 LEU 0.11 0.00 1 36 SER -0.29 -0.07 1 38 LEU -0.15 -0.15 1 40 SER 0.50 -0.14 1 41 GLN 0.26 -0.05 1 42 ALA 0.04 -0.03 1 44 ASP 1.59 -0.14 1 45 ASP 0.65 -0.11 1 46 LEU 0.43 -0.09 1 47 MET 0.00 -0.05 1 48 LEU -1.45 0.13 1 49 SER -0.91 0.06 1 51 ASP 2.53 -0.18 1 52 ASP 1.90 -0.16 1 53 ILE 2.70 -0.53 1 54 GLU 2.05 -0.29 1 55 GLN 1.51 -0.24 1 57 PHE 0.65 -0.01 1 58 THR 0.50 -0.03 1 59 GLU -0.45 -0.07 1 60 ASP -0.37 -0.12 1 64 ASP 0.34 -0.02 1 66 SER 0.18 -0.04 1 68 PHE 0.34 0.00 1 69 ASN 0.17 -0.03 1 71 THR -0.12 0.01 1 72 ALA 0.04 0.07 1 73 THR -0.75 0.03 1 76 THR 0.81 -0.16 1 77 ALA -0.59 -0.09 1 78 ASP -0.99 -0.08 1 80 GLU 2.98 -0.23 1 83 LYS 3.46 -0.22 1 84 LEU 2.93 -0.26 1 85 ILE 5.20 -0.66 1 86 GLN 4.32 -0.53 1 87 GLN 4.02 -0.41 1 89 LEU 3.55 -0.28 1 90 VAL 6.01 -0.67 1 92 LEU 2.92 -0.38 1 93 LEU 4.18 -0.39 1 94 HIS 6.81 -0.63 1 95 ALA 2.85 -0.32 1 96 HIS 3.37 -0.61 1 97 LYS 2.53 -0.45 1 100 ARG 3.03 -0.25 1 101 ARG 1.78 -0.15 1 102 GLU 1.12 -0.16 1 103 GLN 1.20 -0.09 1 104 ALA 0.97 -0.03 1 105 ASN 0.18 -0.05 1 107 GLU -1.08 -0.03 1 108 VAL 0.07 -0.02 1 109 ARG -0.41 0.00 1 110 ALA -0.59 -0.08 1 112 SER -0.43 0.07 1 113 LEU 0.78 -0.24 1 115 HIS 2.13 -0.27 1 117 ARG 5.52 -0.43 1 118 THR 5.50 -0.38 1 119 MET 2.81 0.08 1 120 LYS 5.33 -0.41 1 121 ASN 4.55 -0.16 1 122 VAL 6.01 -0.39 1 123 LEU 4.48 -0.25 1 124 ASN 3.61 -0.22 1 125 HIS 5.88 -0.37 1 126 MET 2.81 -0.79 1 127 THR 3.94 -0.45 1 128 HIS -1.31 0.11 1 130 GLN -0.99 0.35 1 131 ALA 0.04 0.04 1 133 LYS 3.15 -0.26 1 134 ALA -0.58 0.06 1 136 GLN -0.05 0.06 1 137 VAL 4.45 -0.51 1 138 ALA 3.17 -0.54 1 139 HIS 3.06 -0.35 1 141 ALA 4.10 -0.07 1 142 SER 4.56 -0.39 1 143 SER 6.43 -0.38 1 144 ARG 4.90 -0.54 1 145 GLN 3.70 -0.28 1 146 ILE 5.51 -0.49 1 147 ILE 5.20 -0.38 1 148 SER 4.87 -0.42 1 150 TRP 1.79 -0.28 1 152 ASN -1.70 -0.09 1 154 THR -1.06 0.14 1 155 ARG -0.42 0.04 1 156 HIS 2.75 -0.35 1 157 ASP -0.60 -0.16 1 160 VAL 3.20 -0.34 1 162 LEU 8.91 -0.48 1 164 LEU 0.43 -0.08 1 165 LYS 1.90 -0.01 1 166 ASN 0.17 -0.05 1 167 ALA 0.66 0.03 1 168 SER 0.18 -0.04 1 169 ASP 0.34 -0.02 1 170 LYS 0.33 0.01 1 171 ARG 0.83 -0.18 1 stop_ save_