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 bmr19719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 -2.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 5.79 _LACS_plot.Y_axis_chem_shift_offset -0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 LYS 4.67 0.58 0 22 ILE -6.34 -2.13 0 10 GLU 2.30 2.76 1 12 ASN 4.40 3.71 1 13 GLU 3.10 2.52 1 14 MET 1.98 3.74 1 15 ILE 5.44 5.23 1 16 ASN 0.75 0.66 1 17 SER 0.04 0.21 1 18 SER 0.83 0.51 1 19 ASN 1.18 0.88 1 20 GLU 2.43 2.78 1 21 PHE -4.27 -1.19 1 23 ASN -2.06 -1.20 1 24 ARG 4.11 3.20 1 25 ASN 4.31 3.97 1 26 ASP 4.78 2.97 1 28 ASN 4.18 3.54 1 31 PHE 5.97 4.41 1 34 VAL 5.76 4.66 1 36 GLU 4.23 3.70 1 37 SER 4.09 3.11 1 39 ARG 5.34 4.22 1 40 GLU 3.91 3.02 1 42 PHE 4.88 3.72 1 43 LYS 4.96 3.87 1 44 LYS 3.38 1.89 1 45 VAL 6.42 4.34 1 46 GLU 4.05 3.68 1 47 GLU 3.27 3.07 1 48 ASN 3.76 2.95 1 51 LYS 4.00 3.58 1 52 PHE 4.69 3.99 1 54 GLN 5.03 3.02 1 58 GLU 2.89 2.52 1 59 THR 5.84 5.08 1 64 ASP 3.91 3.61 1 65 GLU 4.90 3.72 1 66 TYR 3.81 3.46 1 67 LYS 3.85 3.62 1 68 MET 4.23 2.60 1 69 ARG 4.52 3.68 1 70 LYS 2.97 1.28 1 71 PHE 3.76 0.40 1 73 PHE 4.28 3.56 1 74 ALA 2.74 2.77 1 75 HIS 4.52 4.67 1 76 PHE 5.05 3.89 1 77 GLU 2.46 3.14 1 79 GLN 4.02 3.15 1 81 TYR 5.03 4.31 1 82 ALA 5.03 3.12 1 83 LEU 3.89 3.00 1 84 LYS 7.51 3.54 1 92 TYR 4.05 3.75 1 93 ALA 3.32 2.79 1 94 PHE 4.15 2.82 1 95 LEU 2.52 2.20 1 96 SER 1.83 2.35 1 97 LEU -2.44 -1.60 1 98 ASN -0.20 0.57 1 101 LEU -2.99 -0.69 1 105 LYS 4.70 4.09 1 106 LYS 2.98 2.13 1 107 PHE 4.27 3.59 1 108 LYS 5.26 4.39 1 109 GLU 3.31 3.16 1 111 LEU 4.52 3.39 1 112 GLU 3.67 2.82 1 113 TYR 4.62 4.04 1 115 LYS -0.83 2.33 1 116 ARG 5.09 3.92 1 118 TRP 3.15 3.94 1 120 GLU 3.25 2.49 1 121 PHE 3.81 3.70 1 123 LYS 4.12 3.73 1 124 SER 4.05 3.28 1 125 MET 2.76 2.08 1 126 PHE 4.54 3.99 1 127 ASP 4.08 3.70 1 129 TRP 6.08 5.16 1 130 LYS 6.68 4.85 1 131 GLU 2.77 2.24 1 132 LYS 3.17 3.59 1 133 LEU 2.74 2.85 1 134 ALA 4.69 4.15 1 135 SER 4.63 3.77 1 136 GLU 3.32 3.42 1 137 PHE 5.26 4.71 1 138 ARG 5.38 4.48 1 139 GLU 3.71 3.25 1 140 HIS 3.79 5.04 1 142 GLU 3.64 2.87 1 143 MET 5.62 3.66 1 144 LEU 3.78 2.68 1 145 ASN 1.38 2.47 1 146 GLN 3.97 2.96 1 147 LYS 3.03 2.43 1 148 ARG 2.49 2.32 1 149 LYS 2.04 1.61 1 150 LEU 0.70 0.66 1 151 LYS 0.70 0.19 1 152 GLN 0.79 0.74 1 153 HIS -0.21 1.35 1 154 GLU -0.63 0.07 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 4.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.13 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset -0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 LYS 4.67 -4.09 0 22 ILE -6.34 4.21 0 10 GLU 2.30 0.46 1 12 ASN 4.40 -0.69 1 13 GLU 3.10 -0.58 1 14 MET 1.98 1.76 1 15 ILE 5.44 -0.21 1 16 ASN 0.75 -0.09 1 17 SER 0.04 0.17 1 18 SER 0.83 -0.32 1 19 ASN 1.18 -0.30 1 20 GLU 2.43 0.35 1 21 PHE -4.27 3.08 1 23 ASN -2.06 0.86 1 24 ARG 4.11 -0.91 1 25 ASN 4.31 -0.34 1 26 ASP 4.78 -1.81 1 28 ASN 4.18 -0.64 1 31 PHE 5.97 -1.56 1 34 VAL 5.76 -1.10 1 36 GLU 4.23 -0.53 1 37 SER 4.09 -0.98 1 39 ARG 5.34 -1.12 1 40 GLU 3.91 -0.89 1 42 PHE 4.88 -1.16 1 43 LYS 4.96 -1.09 1 44 LYS 3.38 -1.49 1 45 VAL 6.42 -2.08 1 46 GLU 4.05 -0.37 1 47 GLU 3.27 -0.20 1 48 ASN 3.76 -0.81 1 51 LYS 4.00 -0.42 1 52 PHE 4.69 -0.70 1 54 GLN 5.03 -2.01 1 58 GLU 2.89 -0.37 1 59 THR 5.84 -0.76 1 64 ASP 3.91 -0.30 1 65 GLU 4.90 -1.18 1 66 TYR 3.81 -0.35 1 67 LYS 3.85 -0.23 1 68 MET 4.23 -1.63 1 69 ARG 4.52 -0.84 1 70 LYS 2.97 -1.69 1 71 PHE 3.76 -3.36 1 73 PHE 4.28 -0.72 1 74 ALA 2.74 0.03 1 75 HIS 4.52 0.15 1 76 PHE 5.05 -1.16 1 77 GLU 2.46 0.68 1 79 GLN 4.02 -0.87 1 81 TYR 5.03 -0.72 1 82 ALA 5.03 -1.91 1 83 LEU 3.89 -0.89 1 84 LYS 7.51 -3.97 1 92 TYR 4.05 -0.30 1 93 ALA 3.32 -0.53 1 94 PHE 4.15 -1.33 1 95 LEU 2.52 -0.32 1 96 SER 1.83 0.52 1 97 LEU -2.44 0.84 1 98 ASN -0.20 0.77 1 101 LEU -2.99 2.30 1 105 LYS 4.70 -0.61 1 106 LYS 2.98 -0.85 1 107 PHE 4.27 -0.68 1 108 LYS 5.26 -0.87 1 109 GLU 3.31 -0.15 1 111 LEU 4.52 -1.13 1 112 GLU 3.67 -0.85 1 113 TYR 4.62 -0.58 1 115 LYS -0.83 3.16 1 116 ARG 5.09 -1.17 1 118 TRP 3.15 0.79 1 120 GLU 3.25 -0.76 1 121 PHE 3.81 -0.11 1 123 LYS 4.12 -0.39 1 124 SER 4.05 -0.77 1 125 MET 2.76 -0.68 1 126 PHE 4.54 -0.55 1 127 ASP 4.08 -0.38 1 129 TRP 6.08 -0.92 1 130 LYS 6.68 -1.83 1 131 GLU 2.77 -0.53 1 132 LYS 3.17 0.42 1 133 LEU 2.74 0.11 1 134 ALA 4.69 -0.54 1 135 SER 4.63 -0.86 1 136 GLU 3.32 0.10 1 137 PHE 5.26 -0.55 1 138 ARG 5.38 -0.90 1 139 GLU 3.71 -0.46 1 140 HIS 3.79 1.25 1 142 GLU 3.64 -0.77 1 143 MET 5.62 -1.96 1 144 LEU 3.78 -1.10 1 145 ASN 1.38 1.09 1 146 GLN 3.97 -1.01 1 147 LYS 3.03 -0.60 1 148 ARG 2.49 -0.17 1 149 LYS 2.04 -0.43 1 150 LEU 0.70 -0.04 1 151 LYS 0.70 -0.51 1 152 GLN 0.79 -0.05 1 153 HIS -0.21 1.56 1 154 GLU -0.63 0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 0.52 _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 0.11 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 22 ILE -6.34 0.61 0 10 GLU 2.30 -0.36 1 12 ASN 4.40 -0.40 1 13 GLU 3.10 -0.34 1 14 MET 1.98 -0.44 1 15 ILE 5.44 -0.76 1 16 ASN 0.75 -0.01 1 18 SER 0.83 -0.14 1 20 GLU 2.43 -0.45 1 21 PHE -4.27 0.77 1 24 ARG 4.11 -0.34 1 25 ASN 4.31 -0.32 1 26 ASP 4.78 -0.35 1 28 ASN 4.18 -0.86 1 31 PHE 5.97 -0.33 1 34 VAL 5.76 -0.56 1 36 GLU 4.23 -0.41 1 37 SER 4.09 -0.43 1 39 ARG 5.34 -0.54 1 40 GLU 3.91 -0.23 1 42 PHE 4.88 -1.23 1 43 LYS 4.96 -0.36 1 44 LYS 3.38 -0.27 1 45 VAL 6.42 -0.53 1 46 GLU 4.05 -1.18 1 47 GLU 3.27 -0.55 1 48 ASN 3.76 -0.15 1 51 LYS 4.00 -0.12 1 52 PHE 4.69 -0.16 1 54 GLN 5.03 -0.33 1 58 GLU 2.89 -0.14 1 59 THR 5.84 -0.20 1 61 LYS 4.67 -0.29 1 64 ASP 3.91 -0.32 1 65 GLU 4.90 -0.36 1 66 TYR 3.81 -0.67 1 67 LYS 3.85 -0.73 1 68 MET 4.23 -0.44 1 69 ARG 4.52 -0.29 1 70 LYS 2.97 -0.13 1 73 PHE 4.28 -0.11 1 74 ALA 2.74 -0.11 1 75 HIS 4.52 -0.35 1 76 PHE 5.05 -0.59 1 77 GLU 2.46 -0.33 1 79 GLN 4.02 -0.46 1 81 TYR 5.03 -0.21 1 82 ALA 5.03 -0.40 1 83 LEU 3.89 -0.22 1 84 LYS 7.51 -0.32 1 92 TYR 4.05 -0.75 1 93 ALA 3.32 -0.67 1 94 PHE 4.15 -0.22 1 95 LEU 2.52 -0.23 1 96 SER 1.83 -0.23 1 97 LEU -2.44 0.32 1 98 ASN -0.20 -0.08 1 101 LEU -2.99 0.39 1 105 LYS 4.70 -0.27 1 107 PHE 4.27 -0.30 1 108 LYS 5.26 -0.86 1 109 GLU 3.31 -0.23 1 111 LEU 4.52 -0.29 1 112 GLU 3.67 -0.31 1 113 TYR 4.62 -0.34 1 115 LYS -0.83 -0.17 1 116 ARG 5.09 -0.27 1 120 GLU 3.25 -0.24 1 121 PHE 3.81 -0.29 1 123 LYS 4.12 -0.23 1 124 SER 4.05 -0.53 1 125 MET 2.76 -0.12 1 126 PHE 4.54 -0.52 1 127 ASP 4.08 -0.50 1 129 TRP 6.08 -0.63 1 130 LYS 6.68 -0.43 1 131 GLU 2.77 -0.18 1 132 LYS 3.17 -0.29 1 133 LEU 2.74 0.16 1 134 ALA 4.69 -0.28 1 135 SER 4.63 -0.20 1 136 GLU 3.32 -0.13 1 137 PHE 5.26 -0.34 1 138 ARG 5.38 -0.70 1 139 GLU 3.71 -0.41 1 140 HIS 3.79 -0.57 1 142 GLU 3.64 -0.35 1 143 MET 5.62 -0.37 1 144 LEU 3.78 -0.47 1 145 ASN 1.38 -0.22 1 146 GLN 3.97 -0.20 1 147 LYS 3.03 -0.20 1 148 ARG 2.49 -0.19 1 149 LYS 2.04 -0.12 1 150 LEU 0.70 -0.05 1 151 LYS 0.70 -0.04 1 152 GLN 0.79 -0.08 1 153 HIS -0.21 -0.09 1 154 GLU -0.63 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 3.16 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ILE -6.34 -3.77 0 10 GLU 2.30 3.14 1 12 ASN 4.40 2.65 1 13 GLU 3.10 2.24 1 14 MET 1.98 2.89 1 15 ILE 5.44 0.74 1 16 ASN 0.75 -0.99 1 17 SER 0.04 0.15 1 18 SER 0.83 0.23 1 19 ASN 1.18 1.28 1 20 GLU 2.43 -0.25 1 21 PHE -4.27 -1.34 1 23 ASN -2.06 0.59 1 24 ARG 4.11 1.22 1 25 ASN 4.31 2.14 1 26 ASP 4.78 2.28 1 28 ASN 4.18 3.76 1 31 PHE 5.97 1.86 1 34 VAL 5.76 1.89 1 36 GLU 4.23 2.66 1 37 SER 4.09 3.26 1 39 ARG 5.34 4.02 1 40 GLU 3.91 3.22 1 42 PHE 4.88 0.55 1 43 LYS 4.96 2.39 1 44 LYS 3.38 1.94 1 45 VAL 6.42 1.45 1 46 GLU 4.05 0.31 1 47 GLU 3.27 2.61 1 48 ASN 3.76 3.97 1 51 LYS 4.00 2.61 1 52 PHE 4.69 2.57 1 54 GLN 5.03 1.25 1 58 GLU 2.89 2.81 1 59 THR 5.84 0.99 1 61 LYS 4.67 0.03 1 64 ASP 3.91 1.74 1 65 GLU 4.90 1.74 1 66 TYR 3.81 0.45 1 67 LYS 3.85 0.22 1 68 MET 4.23 2.97 1 69 ARG 4.52 2.85 1 70 LYS 2.97 3.72 1 71 PHE 3.76 2.56 1 73 PHE 4.28 2.33 1 74 ALA 2.74 0.96 1 75 HIS 4.52 2.72 1 76 PHE 5.05 3.39 1 77 GLU 2.46 3.26 1 79 GLN 4.02 2.63 1 81 TYR 5.03 2.81 1 82 ALA 5.03 1.65 1 83 LEU 3.89 2.17 1 84 LYS 7.51 2.11 1 92 TYR 4.05 2.76 1 93 ALA 3.32 0.79 1 94 PHE 4.15 1.84 1 95 LEU 2.52 1.60 1 96 SER 1.83 -0.18 1 97 LEU -2.44 -2.27 1 98 ASN -0.20 0.26 1 101 LEU -2.99 -1.61 1 105 LYS 4.70 2.01 1 106 LYS 2.98 1.98 1 107 PHE 4.27 0.37 1 108 LYS 5.26 1.96 1 109 GLU 3.31 3.29 1 111 LEU 4.52 0.76 1 112 GLU 3.67 2.52 1 113 TYR 4.62 1.18 1 115 LYS -0.83 2.53 1 116 ARG 5.09 2.94 1 118 TRP 3.15 3.10 1 120 GLU 3.25 2.59 1 121 PHE 3.81 1.30 1 123 LYS 4.12 1.94 1 124 SER 4.05 2.23 1 125 MET 2.76 2.09 1 126 PHE 4.54 0.00 1 127 ASP 4.08 3.15 1 129 TRP 6.08 2.43 1 130 LYS 6.68 0.91 1 131 GLU 2.77 2.62 1 132 LYS 3.17 2.78 1 133 LEU 2.74 1.54 1 134 ALA 4.69 2.11 1 135 SER 4.63 2.54 1 136 GLU 3.32 3.23 1 137 PHE 5.26 2.17 1 138 ARG 5.38 1.35 1 139 GLU 3.71 2.70 1 140 HIS 3.79 3.33 1 142 GLU 3.64 3.00 1 143 MET 5.62 2.98 1 144 LEU 3.78 2.31 1 145 ASN 1.38 2.50 1 146 GLN 3.97 2.20 1 147 LYS 3.03 2.12 1 148 ARG 2.49 1.37 1 149 LYS 2.04 0.69 1 150 LEU 0.70 -0.02 1 151 LYS 0.70 0.03 1 152 GLN 0.79 -0.25 1 153 HIS -0.21 0.77 1 154 GLU -0.63 -1.38 1 stop_ save_