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 bmr4323_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.79 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 4.91 _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 105 LYS 1.34 -3.47 0 46 HIS -5.88 0.57 0 11 LYS 4.34 2.57 1 12 LYS 5.16 3.39 1 13 ILE 5.97 4.46 1 14 THR 7.03 5.04 1 15 ASP 4.54 3.04 1 17 ASN 4.02 3.68 1 18 ALA 4.75 2.75 1 19 VAL 5.22 3.16 1 20 LEU 4.50 2.73 1 21 LEU 4.10 2.69 1 22 ALA 2.84 1.81 1 23 VAL 6.50 4.20 1 24 LYS 3.94 0.40 1 25 GLU 3.46 2.76 1 26 VAL 7.33 4.78 1 27 GLU 3.25 3.16 1 28 ALA 1.09 1.43 1 29 LEU 4.03 2.69 1 30 LEU 5.83 2.97 1 33 ILE 6.57 4.39 1 34 ASP 3.35 2.82 1 35 GLU 3.52 2.09 1 36 ILE 7.34 4.12 1 37 ALA 0.17 1.09 1 38 ALA 1.72 1.05 1 39 LYS -1.82 -1.16 1 40 ALA -1.30 -0.75 1 41 ILE 4.14 2.14 1 43 LYS -6.72 -3.14 1 44 LYS -5.64 -3.10 1 45 ILE 2.49 1.46 1 47 GLN 4.24 2.40 1 48 ASN -0.51 0.86 1 49 ASN 0.65 -0.11 1 51 LEU -5.16 -2.37 1 52 ASP -6.82 -2.61 1 53 THR 3.48 3.05 1 54 GLU 0.47 -0.60 1 55 ASN 1.34 3.19 1 56 ASN 5.62 1.15 1 57 HIS 0.05 -0.36 1 58 ASN 0.96 2.39 1 60 SER 4.22 2.64 1 61 LEU 4.51 3.35 1 62 LEU 3.80 0.33 1 63 ALA 4.42 2.48 1 65 ALA 4.70 2.70 1 66 TYR 5.37 4.16 1 67 ALA 4.14 2.14 1 68 ILE 6.52 4.52 1 69 SER 6.34 3.91 1 70 THR 5.25 3.21 1 71 LEU 4.02 2.27 1 72 ILE 6.74 5.10 1 73 LYS 5.28 3.18 1 74 GLN 4.21 2.91 1 75 LYS 3.78 1.09 1 76 LEU 3.47 2.43 1 77 ASP 3.32 2.18 1 79 LEU 0.55 -0.43 1 80 LYS -1.37 -1.87 1 81 ASN -0.55 1.54 1 82 GLU 3.87 2.74 1 84 LEU -0.99 -1.79 1 85 LYS 5.48 4.68 1 86 GLU 4.52 3.03 1 87 LYS 2.70 2.20 1 88 ILE 6.01 4.68 1 89 ASP 4.97 3.10 1 90 ALA 3.97 2.27 1 91 ALA 3.89 1.89 1 92 LYS 5.61 4.02 1 93 LYS 4.94 2.62 1 95 SER 4.73 3.21 1 96 GLU 2.98 2.28 1 97 THR 5.89 4.33 1 98 PHE 3.97 2.57 1 99 THR 6.71 5.35 1 100 ASN 4.05 2.07 1 101 LYS 4.32 0.48 1 102 LEU 3.98 2.39 1 103 LYS 2.82 1.28 1 104 GLU 2.66 1.90 1 106 HIS 4.02 3.97 1 107 THR 6.28 3.80 1 108 ASP -0.17 1.06 1 109 LEU -0.82 -0.64 1 111 LYS -0.71 -2.12 1 112 GLU 5.02 2.01 1 114 VAL 0.32 0.08 1 115 THR -0.08 -0.57 1 116 ASP 4.90 2.79 1 117 ALA 3.86 2.40 1 118 ASP 5.04 2.73 1 119 ALA 3.58 2.25 1 120 LYS 4.82 3.53 1 121 GLU 2.16 2.55 1 122 ALA -1.89 0.42 1 123 ILE -2.95 -1.59 1 124 LEU -2.19 -2.50 1 125 LYS 5.00 2.56 1 126 THR -0.01 -1.87 1 127 ASN 0.05 0.87 1 129 THR -0.90 -1.49 1 130 LYS -1.57 -1.28 1 131 THR 1.41 1.39 1 132 LYS 0.32 -1.03 1 134 ALA 4.72 2.59 1 135 GLU 3.34 2.03 1 136 GLU 6.88 4.23 1 137 LEU 5.19 2.08 1 139 LYS 4.14 2.03 1 140 LEU 4.57 2.37 1 141 PHE 6.31 4.79 1 142 GLU 3.59 2.64 1 143 SER 4.51 3.29 1 144 VAL 6.70 3.85 1 145 GLU 4.42 2.68 1 146 VAL 5.69 3.87 1 147 LEU 3.69 2.59 1 148 SER 4.24 2.90 1 149 LYS 4.98 3.51 1 150 ALA 2.97 1.76 1 151 ALA 3.73 2.03 1 152 LYS 5.26 3.73 1 153 GLU 3.34 2.09 1 154 MET 4.16 3.56 1 155 LEU 4.57 2.25 1 156 ALA 4.46 2.52 1 157 ASN 3.93 2.19 1 159 VAL 5.20 3.21 1 160 LYS 3.99 2.40 1 161 GLU 2.93 2.05 1 162 LEU 2.16 1.42 1 163 THR -0.79 -1.37 1 164 SER 0.32 -0.04 1 166 VAL 1.02 -0.13 1 167 VAL 0.17 -0.67 1 168 ALA -0.26 -0.62 1 169 GLU -0.87 -0.84 1 170 SER 0.35 -0.21 1 172 LYS 0.34 -0.52 1 173 LYS -1.06 -2.59 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4323_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 3.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 -2.42 _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 105 LYS 1.34 -4.81 0 46 HIS -5.88 6.45 0 11 LYS 4.34 -1.77 1 12 LYS 5.16 -1.77 1 13 ILE 5.97 -1.51 1 14 THR 7.03 -1.99 1 15 ASP 4.54 -1.50 1 17 ASN 4.02 -0.34 1 18 ALA 4.75 -2.00 1 19 VAL 5.22 -2.06 1 20 LEU 4.50 -1.77 1 21 LEU 4.10 -1.41 1 22 ALA 2.84 -1.03 1 23 VAL 6.50 -2.30 1 24 LYS 3.94 -3.54 1 25 GLU 3.46 -0.70 1 26 VAL 7.33 -2.55 1 27 GLU 3.25 -0.09 1 28 ALA 1.09 0.34 1 29 LEU 4.03 -1.34 1 30 LEU 5.83 -2.86 1 33 ILE 6.57 -2.18 1 34 ASP 3.35 -0.53 1 35 GLU 3.52 -1.43 1 36 ILE 7.34 -3.22 1 37 ALA 0.17 0.92 1 38 ALA 1.72 -0.67 1 39 LYS -1.82 0.66 1 40 ALA -1.30 0.55 1 41 ILE 4.14 -2.00 1 43 LYS -6.72 3.58 1 44 LYS -5.64 2.54 1 45 ILE 2.49 -1.03 1 47 GLN 4.24 -1.84 1 48 ASN -0.51 1.37 1 49 ASN 0.65 -0.76 1 51 LEU -5.16 2.79 1 52 ASP -6.82 4.21 1 53 THR 3.48 -0.43 1 54 GLU 0.47 -1.07 1 55 ASN 1.34 1.85 1 56 ASN 5.62 -4.47 1 57 HIS 0.05 -0.41 1 58 ASN 0.96 1.43 1 60 SER 4.22 -1.58 1 61 LEU 4.51 -1.16 1 62 LEU 3.80 -3.47 1 63 ALA 4.42 -1.94 1 65 ALA 4.70 -2.00 1 66 TYR 5.37 -1.21 1 67 ALA 4.14 -2.00 1 68 ILE 6.52 -2.00 1 69 SER 6.34 -2.43 1 70 THR 5.25 -2.04 1 71 LEU 4.02 -1.75 1 72 ILE 6.74 -1.64 1 73 LYS 5.28 -2.10 1 74 GLN 4.21 -1.30 1 75 LYS 3.78 -2.69 1 76 LEU 3.47 -1.04 1 77 ASP 3.32 -1.14 1 79 LEU 0.55 -0.98 1 80 LYS -1.37 -0.50 1 81 ASN -0.55 2.09 1 82 GLU 3.87 -1.13 1 84 LEU -0.99 -0.80 1 85 LYS 5.48 -0.80 1 86 GLU 4.52 -1.49 1 87 LYS 2.70 -0.50 1 88 ILE 6.01 -1.33 1 89 ASP 4.97 -1.87 1 90 ALA 3.97 -1.70 1 91 ALA 3.89 -2.00 1 92 LYS 5.61 -1.59 1 93 LYS 4.94 -2.32 1 95 SER 4.73 -1.52 1 96 GLU 2.98 -0.70 1 97 THR 5.89 -1.56 1 98 PHE 3.97 -1.40 1 99 THR 6.71 -1.36 1 100 ASN 4.05 -1.98 1 101 LYS 4.32 -3.84 1 102 LEU 3.98 -1.59 1 103 LYS 2.82 -1.54 1 104 GLU 2.66 -0.76 1 106 HIS 4.02 -0.05 1 107 THR 6.28 -2.48 1 108 ASP -0.17 1.23 1 109 LEU -0.82 0.18 1 111 LYS -0.71 -1.41 1 112 GLU 5.02 -3.01 1 114 VAL 0.32 -0.24 1 115 THR -0.08 -0.49 1 116 ASP 4.90 -2.11 1 117 ALA 3.86 -1.46 1 118 ASP 5.04 -2.31 1 119 ALA 3.58 -1.33 1 120 LYS 4.82 -1.29 1 121 GLU 2.16 0.39 1 122 ALA -1.89 2.31 1 123 ILE -2.95 1.36 1 124 LEU -2.19 -0.31 1 125 LYS 5.00 -2.44 1 126 THR -0.01 -1.86 1 127 ASN 0.05 0.82 1 129 THR -0.90 -0.59 1 130 LYS -1.57 0.29 1 131 THR 1.41 -0.02 1 132 LYS 0.32 -1.35 1 134 ALA 4.72 -2.13 1 135 GLU 3.34 -1.31 1 136 GLU 6.88 -2.65 1 137 LEU 5.19 -3.11 1 139 LYS 4.14 -2.11 1 140 LEU 4.57 -2.20 1 141 PHE 6.31 -1.52 1 142 GLU 3.59 -0.95 1 143 SER 4.51 -1.22 1 144 VAL 6.70 -2.85 1 145 GLU 4.42 -1.74 1 146 VAL 5.69 -1.82 1 147 LEU 3.69 -1.10 1 148 SER 4.24 -1.34 1 149 LYS 4.98 -1.47 1 150 ALA 2.97 -1.21 1 151 ALA 3.73 -1.70 1 152 LYS 5.26 -1.53 1 153 GLU 3.34 -1.25 1 154 MET 4.16 -0.60 1 155 LEU 4.57 -2.32 1 156 ALA 4.46 -1.94 1 157 ASN 3.93 -1.74 1 159 VAL 5.20 -1.99 1 160 LYS 3.99 -1.59 1 161 GLU 2.93 -0.88 1 162 LEU 2.16 -0.74 1 163 THR -0.79 -0.58 1 164 SER 0.32 -0.36 1 166 VAL 1.02 -1.15 1 167 VAL 0.17 -0.84 1 168 ALA -0.26 -0.36 1 169 GLU -0.87 0.03 1 170 SER 0.35 -0.56 1 172 LYS 0.34 -0.86 1 173 LYS -1.06 -1.53 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4323_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.49 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 2.74 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 LYS -6.72 -1.56 0 132 LYS 0.32 -4.31 0 52 ASP -6.82 -1.27 0 46 HIS -5.88 0.47 0 11 LYS 4.34 1.23 1 12 LYS 5.16 4.46 1 13 ILE 5.97 1.10 1 14 THR 7.03 3.29 1 15 ASP 4.54 3.04 1 17 ASN 4.02 0.72 1 18 ALA 4.75 3.46 1 19 VAL 5.22 0.73 1 20 LEU 4.50 0.98 1 21 LEU 4.10 0.88 1 22 ALA 2.84 3.60 1 23 VAL 6.50 1.31 1 24 LYS 3.94 1.27 1 25 GLU 3.46 0.91 1 26 VAL 7.33 1.19 1 27 GLU 3.25 2.46 1 28 ALA 1.09 2.95 1 29 LEU 4.03 3.31 1 30 LEU 5.83 1.72 1 33 ILE 6.57 0.79 1 34 ASP 3.35 2.26 1 35 GLU 3.52 2.87 1 36 ILE 7.34 1.67 1 37 ALA 0.17 0.20 1 38 ALA 1.72 2.23 1 39 LYS -1.82 0.36 1 40 ALA -1.30 -1.72 1 41 ILE 4.14 1.96 1 44 LYS -5.64 -2.10 1 45 ILE 2.49 -2.46 1 47 GLN 4.24 -1.26 1 48 ASN -0.51 1.33 1 49 ASN 0.65 0.96 1 51 LEU -5.16 -1.54 1 53 THR 3.48 -0.38 1 54 GLU 0.47 -2.99 1 55 ASN 1.34 0.97 1 56 ASN 5.62 -1.66 1 57 HIS 0.05 3.19 1 58 ASN 0.96 0.09 1 60 SER 4.22 2.73 1 61 LEU 4.51 1.04 1 62 LEU 3.80 1.43 1 63 ALA 4.42 1.96 1 65 ALA 4.70 1.37 1 66 TYR 5.37 2.96 1 67 ALA 4.14 2.95 1 68 ILE 6.52 1.40 1 69 SER 6.34 2.26 1 70 THR 5.25 1.81 1 71 LEU 4.02 0.82 1 72 ILE 6.74 0.48 1 73 LYS 5.28 1.89 1 74 GLN 4.21 3.88 1 75 LYS 3.78 4.23 1 76 LEU 3.47 1.40 1 77 ASP 3.32 1.46 1 79 LEU 0.55 -2.46 1 80 LYS -1.37 -0.94 1 81 ASN -0.55 -1.00 1 82 GLU 3.87 2.09 1 84 LEU -0.99 -0.25 1 85 LYS 5.48 0.54 1 86 GLU 4.52 3.30 1 87 LYS 2.70 3.44 1 88 ILE 6.01 1.29 1 89 ASP 4.97 2.93 1 90 ALA 3.97 2.40 1 91 ALA 3.89 1.74 1 92 LYS 5.61 2.65 1 93 LYS 4.94 3.58 1 95 SER 4.73 1.69 1 96 GLU 2.98 1.72 1 97 THR 5.89 2.26 1 98 PHE 3.97 -0.81 1 99 THR 6.71 1.59 1 100 ASN 4.05 2.81 1 101 LYS 4.32 0.46 1 102 LEU 3.98 1.08 1 103 LYS 2.82 3.14 1 104 GLU 2.66 2.67 1 105 LYS 1.34 0.72 1 106 HIS 4.02 1.97 1 107 THR 6.28 0.30 1 108 ASP -0.17 0.44 1 109 LEU -0.82 -1.46 1 111 LYS -0.71 -1.74 1 112 GLU 5.02 3.34 1 114 VAL 0.32 2.07 1 115 THR -0.08 0.11 1 116 ASP 4.90 1.61 1 117 ALA 3.86 2.47 1 118 ASP 5.04 1.20 1 119 ALA 3.58 2.26 1 120 LYS 4.82 1.29 1 121 GLU 2.16 -0.38 1 122 ALA -1.89 -0.47 1 123 ILE -2.95 -3.36 1 124 LEU -2.19 -1.59 1 125 LYS 5.00 -1.48 1 126 THR -0.01 0.22 1 127 ASN 0.05 0.49 1 129 THR -0.90 0.65 1 130 LYS -1.57 1.25 1 131 THR 1.41 0.86 1 134 ALA 4.72 2.65 1 135 GLU 3.34 1.96 1 136 GLU 6.88 3.95 1 137 LEU 5.19 1.19 1 139 LYS 4.14 3.03 1 140 LEU 4.57 0.73 1 141 PHE 6.31 2.53 1 142 GLU 3.59 2.25 1 143 SER 4.51 3.64 1 144 VAL 6.70 0.31 1 145 GLU 4.42 2.77 1 146 VAL 5.69 2.74 1 147 LEU 3.69 -0.71 1 148 SER 4.24 2.44 1 149 LYS 4.98 2.59 1 150 ALA 2.97 2.74 1 151 ALA 3.73 1.92 1 152 LYS 5.26 3.14 1 153 GLU 3.34 1.48 1 154 MET 4.16 3.43 1 155 LEU 4.57 0.91 1 156 ALA 4.46 3.26 1 157 ASN 3.93 2.67 1 159 VAL 5.20 3.22 1 160 LYS 3.99 1.55 1 161 GLU 2.93 1.07 1 162 LEU 2.16 -0.68 1 163 THR -0.79 -0.07 1 164 SER 0.32 -0.83 1 166 VAL 1.02 -0.07 1 167 VAL 0.17 -0.75 1 168 ALA -0.26 -0.51 1 169 GLU -0.87 -0.37 1 170 SER 0.35 -0.49 1 172 LYS 0.34 -0.39 1 173 LYS -1.06 -2.99 1 stop_ save_