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 bmr34421_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _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 -1.62 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 5.91 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 SER -2.75 4.09 0 10 GLN 4.00 4.22 1 11 VAL 7.30 5.53 1 12 PHE 6.09 6.17 1 13 GLU 3.67 3.58 1 14 ILE 4.44 4.20 1 15 ALA 3.64 3.63 1 16 LEU 3.57 3.01 1 17 LYS 2.84 2.33 1 18 ARG -0.40 -0.60 1 19 ASN 2.66 1.07 1 20 LEU -4.41 -1.99 1 22 VAL -2.79 -1.70 1 23 ASN -3.09 0.22 1 24 PHE -1.74 0.11 1 25 GLU -4.52 -1.18 1 26 VAL 0.01 -0.65 1 27 ALA 1.43 0.32 1 28 ARG 2.29 0.21 1 29 GLU -1.49 1.14 1 30 SER -6.06 -1.57 1 34 HIS 1.34 3.10 1 36 LYS 3.47 2.89 1 37 ASN -3.36 -0.18 1 38 PHE -2.25 -0.17 1 39 VAL -2.04 -0.45 1 40 THR -0.64 0.17 1 41 LYS -3.94 -1.71 1 42 VAL -7.23 -4.93 1 43 SER -4.12 -2.53 1 44 VAL -1.74 -1.98 1 46 GLU 0.32 -0.02 1 47 PHE 0.39 0.20 1 48 VAL -5.47 -2.34 1 50 GLU -5.63 -1.73 1 52 GLU -7.06 -2.73 1 54 LYS 2.38 2.08 1 55 SER -8.26 -3.98 1 56 LYS 6.10 4.74 1 57 LYS 5.07 4.14 1 58 ILE 3.91 3.81 1 60 LYS 3.94 4.15 1 61 LYS 4.88 3.74 1 62 ASN 4.42 2.61 1 63 ALA 4.19 2.86 1 64 ALA 2.94 2.38 1 65 ILE 5.29 5.26 1 66 ALA 3.28 2.72 1 67 VAL 2.90 2.03 1 68 LEU 3.98 3.13 1 69 GLU 2.75 2.43 1 70 GLU 1.60 1.22 1 71 LEU 2.62 1.74 1 72 LYS 3.06 2.41 1 73 LYS 0.83 0.54 1 74 LEU 1.36 0.49 1 77 LEU -0.11 -0.10 1 79 ALA -0.23 -0.15 1 80 VAL -0.11 -0.18 1 81 GLU -0.73 -0.21 1 82 ARG 0.16 0.10 1 83 VAL 0.47 0.15 1 84 LYS -0.31 -0.13 1 108 ASN -0.05 0.58 1 110 ILE 4.06 4.14 1 111 SER 4.10 2.69 1 112 ARG 3.81 3.20 1 113 LEU 3.68 2.75 1 114 ALA 4.17 2.97 1 115 GLN 4.63 3.36 1 116 ILE 4.53 4.07 1 117 GLN 2.15 2.47 1 118 GLN 3.72 3.23 1 119 ALA 3.38 2.33 1 120 LYS 0.28 0.25 1 121 LYS 5.24 0.88 1 122 GLU -6.69 -2.29 1 123 LYS 1.00 0.96 1 124 GLU 2.75 1.33 1 126 GLU -4.60 -1.85 1 127 TYR -1.73 -0.28 1 128 THR -2.89 -0.42 1 129 LEU 0.97 0.45 1 130 LEU 0.67 0.89 1 131 THR -0.29 -0.18 1 132 GLU -2.99 -1.07 1 133 ARG -2.24 -1.15 1 135 LEU 0.12 0.18 1 137 ARG 1.73 0.44 1 138 ARG -0.38 -0.48 1 139 ARG -0.30 0.01 1 140 GLU -4.61 -1.40 1 141 PHE -1.82 0.01 1 142 VAL -1.12 -0.87 1 143 MET -5.15 -2.67 1 144 GLN -6.32 -1.89 1 145 VAL -6.54 -4.14 1 146 LYS -4.79 -1.45 1 147 VAL -2.90 -0.72 1 149 ASN 0.47 -0.21 1 150 HIS -2.43 0.88 1 151 THR -3.45 -1.24 1 152 ALA -5.45 -1.62 1 153 GLU -5.92 -2.02 1 155 THR -4.14 -2.09 1 157 THR 1.18 1.08 1 158 ASN -3.66 -1.13 1 159 LYS 5.53 4.88 1 160 LYS 5.31 3.98 1 161 VAL 4.63 3.80 1 162 ALA 4.08 3.34 1 163 LYS 4.31 4.44 1 164 ARG 4.67 4.10 1 165 ASN 3.52 2.59 1 166 ALA 5.40 3.23 1 167 ALA 4.44 3.27 1 168 GLU 3.59 3.51 1 169 ASN 3.85 2.42 1 170 MET 3.79 1.00 1 171 LEU 5.09 3.81 1 172 GLU 3.57 3.02 1 173 ILE 4.87 4.02 1 174 LEU 0.15 0.12 1 176 PHE -0.61 -0.01 1 177 LYS 0.71 1.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34421_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 5.18 _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 0.38 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 SER -2.75 6.84 0 10 GLN 4.00 0.22 1 11 VAL 7.30 -1.77 1 12 PHE 6.09 0.08 1 13 GLU 3.67 -0.09 1 14 ILE 4.44 -0.24 1 15 ALA 3.64 -0.01 1 16 LEU 3.57 -0.56 1 17 LYS 2.84 -0.51 1 18 ARG -0.40 -0.20 1 19 ASN 2.66 -1.59 1 20 LEU -4.41 2.42 1 22 VAL -2.79 1.09 1 23 ASN -3.09 3.31 1 24 PHE -1.74 1.85 1 25 GLU -4.52 3.34 1 26 VAL 0.01 -0.66 1 27 ALA 1.43 -1.11 1 28 ARG 2.29 -2.08 1 29 GLU -1.49 2.63 1 30 SER -6.06 4.49 1 34 HIS 1.34 1.76 1 36 LYS 3.47 -0.58 1 37 ASN -3.36 3.18 1 38 PHE -2.25 2.08 1 39 VAL -2.04 1.59 1 40 THR -0.64 0.81 1 41 LYS -3.94 2.23 1 42 VAL -7.23 2.30 1 43 SER -4.12 1.59 1 44 VAL -1.74 -0.24 1 46 GLU 0.32 -0.34 1 47 PHE 0.39 -0.19 1 48 VAL -5.47 3.13 1 50 GLU -5.63 3.90 1 52 GLU -7.06 4.33 1 54 LYS 2.38 -0.30 1 55 SER -8.26 4.28 1 56 LYS 6.10 -1.36 1 57 LYS 5.07 -0.93 1 58 ILE 3.91 -0.10 1 60 LYS 3.94 0.21 1 61 LYS 4.88 -1.14 1 62 ASN 4.42 -1.81 1 63 ALA 4.19 -1.33 1 64 ALA 2.94 -0.56 1 65 ILE 5.29 -0.03 1 66 ALA 3.28 -0.56 1 67 VAL 2.90 -0.87 1 68 LEU 3.98 -0.85 1 69 GLU 2.75 -0.32 1 70 GLU 1.60 -0.38 1 71 LEU 2.62 -0.88 1 72 LYS 3.06 -0.65 1 73 LYS 0.83 -0.29 1 74 LEU 1.36 -0.87 1 77 LEU -0.11 0.01 1 79 ALA -0.23 0.08 1 80 VAL -0.11 -0.07 1 81 GLU -0.73 0.52 1 82 ARG 0.16 -0.06 1 83 VAL 0.47 -0.32 1 84 LYS -0.31 0.18 1 108 ASN -0.05 0.63 1 110 ILE 4.06 0.08 1 111 SER 4.10 -1.41 1 112 ARG 3.81 -0.61 1 113 LEU 3.68 -0.93 1 114 ALA 4.17 -1.20 1 115 GLN 4.63 -1.27 1 116 ILE 4.53 -0.46 1 117 GLN 2.15 0.32 1 118 GLN 3.72 -0.49 1 119 ALA 3.38 -1.05 1 120 LYS 0.28 -0.03 1 121 LYS 5.24 -4.36 1 122 GLU -6.69 4.40 1 123 LYS 1.00 -0.04 1 124 GLU 2.75 -1.42 1 126 GLU -4.60 2.75 1 127 TYR -1.73 1.45 1 128 THR -2.89 2.47 1 129 LEU 0.97 -0.52 1 130 LEU 0.67 0.22 1 131 THR -0.29 0.11 1 132 GLU -2.99 1.92 1 133 ARG -2.24 1.09 1 135 LEU 0.12 0.06 1 137 ARG 1.73 -1.29 1 138 ARG -0.38 -0.10 1 139 ARG -0.30 0.31 1 140 GLU -4.61 3.21 1 141 PHE -1.82 1.83 1 142 VAL -1.12 0.25 1 143 MET -5.15 2.48 1 144 GLN -6.32 4.43 1 145 VAL -6.54 2.40 1 146 LYS -4.79 3.34 1 147 VAL -2.90 2.18 1 149 ASN 0.47 -0.68 1 150 HIS -2.43 3.31 1 151 THR -3.45 2.21 1 152 ALA -5.45 3.83 1 153 GLU -5.92 3.90 1 155 THR -4.14 2.05 1 157 THR 1.18 -0.10 1 158 ASN -3.66 2.53 1 159 LYS 5.53 -0.65 1 160 LYS 5.31 -1.33 1 161 VAL 4.63 -0.83 1 162 ALA 4.08 -0.74 1 163 LYS 4.31 0.13 1 164 ARG 4.67 -0.57 1 165 ASN 3.52 -0.93 1 166 ALA 5.40 -2.17 1 167 ALA 4.44 -1.17 1 168 GLU 3.59 -0.08 1 169 ASN 3.85 -1.43 1 170 MET 3.79 -2.79 1 171 LEU 5.09 -1.28 1 172 GLU 3.57 -0.55 1 173 ILE 4.87 -0.85 1 174 LEU 0.15 -0.03 1 176 PHE -0.61 0.60 1 177 LYS 0.71 0.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34421_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 1.10 _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 0.35 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 THR -4.14 1.65 0 10 GLN 4.00 -0.34 1 11 VAL 7.30 -0.77 1 12 PHE 6.09 -0.47 1 13 GLU 3.67 -0.21 1 14 ILE 4.44 -0.46 1 15 ALA 3.64 -0.59 1 16 LEU 3.57 0.00 1 17 LYS 2.84 -0.16 1 18 ARG -0.40 0.04 1 19 ASN 2.66 -0.31 1 20 LEU -4.41 0.31 1 22 VAL -2.79 0.71 1 23 ASN -3.09 0.34 1 24 PHE -1.74 0.40 1 25 GLU -4.52 0.41 1 26 VAL 0.01 0.53 1 27 ALA 1.43 0.10 1 28 ARG 2.29 0.08 1 29 GLU -1.49 0.39 1 30 SER -6.06 0.22 1 34 HIS 1.34 -0.39 1 36 LYS 3.47 -0.34 1 37 ASN -3.36 0.09 1 38 PHE -2.25 0.51 1 39 VAL -2.04 0.74 1 40 THR -0.64 0.77 1 41 LYS -3.94 0.88 1 42 VAL -7.23 1.15 1 43 SER -4.12 0.90 1 44 VAL -1.74 0.71 1 46 GLU 0.32 -0.20 1 47 PHE 0.39 0.03 1 48 VAL -5.47 1.26 1 50 GLU -5.63 1.20 1 52 GLU -7.06 1.55 1 54 LYS 2.38 0.35 1 55 SER -8.26 0.88 1 56 LYS 6.10 -1.05 1 57 LYS 5.07 -0.48 1 58 ILE 3.91 -0.42 1 59 SER -2.75 0.56 1 60 LYS 3.94 -0.49 1 61 LYS 4.88 -0.43 1 62 ASN 4.42 -0.02 1 63 ALA 4.19 -0.47 1 64 ALA 2.94 -0.30 1 65 ILE 5.29 -0.69 1 66 ALA 3.28 -0.01 1 67 VAL 2.90 0.02 1 68 LEU 3.98 -0.43 1 69 GLU 2.75 -0.37 1 70 GLU 1.60 -0.14 1 71 LEU 2.62 -0.78 1 72 LYS 3.06 -0.28 1 73 LYS 0.83 -0.08 1 74 LEU 1.36 -0.24 1 77 LEU -0.11 -0.12 1 79 ALA -0.23 0.02 1 80 VAL -0.11 0.02 1 81 GLU -0.73 -0.05 1 82 ARG 0.16 -0.04 1 83 VAL 0.47 -0.12 1 84 LYS -0.31 -0.02 1 108 ASN -0.05 -0.18 1 110 ILE 4.06 -0.59 1 111 SER 4.10 -0.13 1 112 ARG 3.81 -0.34 1 113 LEU 3.68 -0.30 1 114 ALA 4.17 -0.38 1 115 GLN 4.63 -0.14 1 116 ILE 4.53 -0.55 1 117 GLN 2.15 -0.45 1 118 GLN 3.72 -0.09 1 119 ALA 3.38 -0.15 1 120 LYS 0.28 -0.08 1 121 LYS 5.24 -0.34 1 122 GLU -6.69 0.26 1 123 LYS 1.00 -0.23 1 124 GLU 2.75 -0.18 1 126 GLU -4.60 0.41 1 127 TYR -1.73 1.01 1 128 THR -2.89 0.20 1 129 LEU 0.97 0.55 1 130 LEU 0.67 0.15 1 131 THR -0.29 0.15 1 132 GLU -2.99 0.40 1 133 ARG -2.24 0.38 1 135 LEU 0.12 -0.05 1 137 ARG 1.73 0.03 1 138 ARG -0.38 0.25 1 139 ARG -0.30 0.04 1 140 GLU -4.61 0.24 1 141 PHE -1.82 0.16 1 142 VAL -1.12 0.83 1 143 MET -5.15 0.84 1 144 GLN -6.32 1.16 1 145 VAL -6.54 1.04 1 146 LYS -4.79 0.91 1 147 VAL -2.90 0.09 1 149 ASN 0.47 -0.03 1 150 HIS -2.43 0.17 1 151 THR -3.45 0.97 1 152 ALA -5.45 0.44 1 153 GLU -5.92 1.34 1 157 THR 1.18 0.44 1 158 ASN -3.66 0.02 1 159 LYS 5.53 -1.02 1 160 LYS 5.31 -0.48 1 161 VAL 4.63 -0.45 1 162 ALA 4.08 -0.55 1 163 LYS 4.31 -0.67 1 164 ARG 4.67 -0.47 1 165 ASN 3.52 -0.11 1 166 ALA 5.40 -0.44 1 167 ALA 4.44 -0.38 1 168 GLU 3.59 -0.37 1 169 ASN 3.85 -0.09 1 170 MET 3.79 0.09 1 171 LEU 5.09 -0.45 1 172 GLU 3.57 -0.22 1 173 ILE 4.87 -0.46 1 174 LEU 0.15 -0.34 1 176 PHE -0.61 0.03 1 177 LYS 0.71 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34421_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.23 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 2.65 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ALA 1.43 -5.72 0 10 GLN 4.00 1.86 1 11 VAL 7.30 0.75 1 12 PHE 6.09 3.08 1 13 GLU 3.67 3.13 1 14 ILE 4.44 1.35 1 15 ALA 3.64 2.18 1 16 LEU 3.57 3.37 1 17 LYS 2.84 1.43 1 18 ARG -0.40 -1.75 1 19 ASN 2.66 -1.30 1 22 VAL -2.79 -0.92 1 23 ASN -3.09 -1.62 1 24 PHE -1.74 -0.71 1 25 GLU -4.52 -1.56 1 26 VAL 0.01 0.02 1 28 ARG 2.29 -3.77 1 29 GLU -1.49 -2.56 1 36 LYS 3.47 0.25 1 37 ASN -3.36 -1.88 1 38 PHE -2.25 -0.24 1 39 VAL -2.04 -1.53 1 40 THR -0.64 -2.31 1 41 LYS -3.94 -1.77 1 42 VAL -7.23 -4.14 1 43 SER -4.12 -1.02 1 44 VAL -1.74 -0.07 1 46 GLU 0.32 -1.04 1 47 PHE 0.39 -0.88 1 48 VAL -5.47 -0.67 1 50 GLU -5.63 -2.03 1 52 GLU -7.06 0.05 1 54 LYS 2.38 -2.47 1 56 LYS 6.10 3.65 1 57 LYS 5.07 2.45 1 58 ILE 3.91 1.02 1 60 LYS 3.94 1.33 1 61 LYS 4.88 1.41 1 62 ASN 4.42 3.47 1 63 ALA 4.19 0.23 1 64 ALA 2.94 0.76 1 65 ILE 5.29 1.63 1 66 ALA 3.28 3.15 1 67 VAL 2.90 1.15 1 68 LEU 3.98 0.88 1 69 GLU 2.75 2.40 1 70 GLU 1.60 2.60 1 71 LEU 2.62 1.84 1 72 LYS 3.06 0.23 1 73 LYS 0.83 0.36 1 79 ALA -0.23 -0.29 1 80 VAL -0.11 -0.38 1 81 GLU -0.73 -0.60 1 82 ARG 0.16 -0.47 1 83 VAL 0.47 -0.85 1 84 LYS -0.31 -1.79 1 110 ILE 4.06 3.40 1 111 SER 4.10 1.89 1 112 ARG 3.81 1.51 1 113 LEU 3.68 0.16 1 114 ALA 4.17 2.80 1 115 GLN 4.63 3.02 1 116 ILE 4.53 2.00 1 117 GLN 2.15 2.35 1 118 GLN 3.72 4.51 1 119 ALA 3.38 1.65 1 120 LYS 0.28 -1.38 1 121 LYS 5.24 -0.79 1 122 GLU -6.69 1.07 1 123 LYS 1.00 -0.61 1 126 GLU -4.60 -0.97 1 127 TYR -1.73 0.36 1 128 THR -2.89 -2.35 1 129 LEU 0.97 -1.51 1 130 LEU 0.67 -0.11 1 131 THR -0.29 -2.98 1 132 GLU -2.99 -1.33 1 133 ARG -2.24 -1.02 1 137 ARG 1.73 -0.58 1 138 ARG -0.38 -1.78 1 139 ARG -0.30 -0.76 1 140 GLU -4.61 -2.47 1 141 PHE -1.82 -1.13 1 142 VAL -1.12 -1.12 1 143 MET -5.15 -2.55 1 144 GLN -6.32 -1.61 1 145 VAL -6.54 -4.75 1 146 LYS -4.79 -0.16 1 147 VAL -2.90 -0.96 1 149 ASN 0.47 -0.43 1 150 HIS -2.43 0.46 1 151 THR -3.45 -2.06 1 152 ALA -5.45 -2.77 1 153 GLU -5.92 -0.74 1 155 THR -4.14 -0.22 1 157 THR 1.18 -1.46 1 158 ASN -3.66 -0.52 1 159 LYS 5.53 -0.89 1 160 LYS 5.31 2.93 1 161 VAL 4.63 1.28 1 162 ALA 4.08 0.86 1 163 LYS 4.31 0.98 1 164 ARG 4.67 1.65 1 165 ASN 3.52 2.28 1 166 ALA 5.40 0.78 1 167 ALA 4.44 1.56 1 168 GLU 3.59 2.31 1 169 ASN 3.85 3.27 1 170 MET 3.79 1.01 1 171 LEU 5.09 1.14 1 172 GLU 3.57 3.54 1 173 ILE 4.87 1.88 1 174 LEU 0.15 -0.72 1 176 PHE -0.61 -1.59 1 stop_ save_