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 bmr17389_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.42 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 9.39 _LACS_plot.Line_2_terminator_val_y_2 6.76 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 LEU -6.42 -1.96 0 11 MET 0.93 0.45 1 12 ASP 0.43 0.17 1 13 LYS -0.17 -0.59 1 14 ARG -0.22 0.51 1 15 LEU -3.67 -1.91 1 16 PHE 0.92 -0.67 1 18 ASP 0.53 -0.07 1 20 ASP 4.62 3.39 1 21 THR 6.34 4.16 1 22 ALA 5.55 3.12 1 23 ILE 4.94 3.31 1 24 GLU 3.40 2.69 1 25 ARG 4.36 2.76 1 26 LEU 3.65 2.08 1 27 GLN 4.97 3.14 1 28 ARG 4.70 3.35 1 29 LEU 1.73 2.39 1 30 GLN 4.54 2.66 1 31 GLN 4.27 3.10 1 32 ALA 4.37 2.18 1 33 LEU 3.00 3.02 1 34 GLU 3.91 3.26 1 35 MET 4.12 2.86 1 37 VAL 7.28 5.54 1 38 SER 5.23 3.72 1 39 SER 4.63 3.52 1 40 LEU 3.51 2.60 1 41 MET 3.81 0.30 1 42 ALA 2.59 1.43 1 43 LEU -0.75 -0.34 1 44 VAL 3.32 -0.12 1 45 THR -3.04 -2.48 1 46 THR 4.52 3.38 1 51 TYR 5.53 4.72 1 53 TYR 3.93 3.65 1 54 MET 3.80 3.39 1 55 GLU 3.86 2.80 1 56 ARG 1.73 1.30 1 57 HIS 0.84 1.32 1 58 ILE 4.59 2.80 1 59 ASN 4.43 3.02 1 60 GLU 2.54 2.48 1 61 ILE 4.54 4.38 1 62 ARG 5.00 3.40 1 63 THR 5.29 4.25 1 64 ALA 3.25 2.61 1 65 VAL 6.30 4.33 1 66 ASP 3.80 2.82 1 67 LYS 4.53 2.87 1 68 VAL 8.00 6.13 1 69 GLU 5.40 5.07 1 70 LEU 3.92 3.04 1 71 PHE 1.89 -0.22 1 72 LEU 3.67 2.28 1 73 LYS 5.50 4.28 1 74 GLU 3.42 3.00 1 75 TYR 4.80 4.87 1 76 LEU 2.42 2.02 1 77 HIS 3.51 4.94 1 78 PHE 2.84 3.55 1 79 VAL 5.83 3.89 1 80 LYS 5.84 4.31 1 82 ALA 3.72 2.45 1 83 VAL 6.34 4.44 1 84 ALA 4.37 2.57 1 85 ASN 4.80 2.38 1 86 ALA 2.23 1.43 1 87 ALA 2.50 0.84 1 89 LEU 1.64 0.23 1 91 GLU -3.73 -2.10 1 92 LEU 1.06 -0.05 1 93 ILE 4.81 3.52 1 94 LEU 5.15 2.75 1 95 HIS 5.35 5.90 1 96 ASN 4.08 2.85 1 97 LYS 3.03 3.16 1 98 MET 1.64 3.51 1 99 LYS 4.96 3.25 1 100 ARG 3.85 2.84 1 101 GLU 2.34 2.35 1 102 LEU 3.69 2.62 1 103 GLN 3.91 2.65 1 104 ARG 4.15 3.19 1 105 VAL 5.00 3.72 1 106 GLU 4.14 3.94 1 107 ASP 4.87 3.18 1 108 SER 5.26 3.66 1 109 HIS 3.82 5.79 1 110 GLN 5.33 3.66 1 111 ILE 3.79 3.31 1 112 LEU 6.05 2.61 1 113 SER 4.10 2.79 1 114 GLN 3.94 3.16 1 115 THR 4.97 3.95 1 116 SER 4.50 3.33 1 117 HIS 5.24 4.94 1 118 ASP 5.03 3.31 1 119 LEU 4.27 2.65 1 120 ASN 4.27 3.00 1 121 GLU 2.96 2.34 1 123 SER 3.13 0.56 1 124 TRP 6.66 1.33 1 125 SER -0.69 -0.36 1 126 LEU 3.71 2.68 1 127 ASN 4.22 3.00 1 128 ILE 0.59 0.63 1 129 LEU 0.37 0.56 1 130 ALA -2.07 -0.12 1 131 ILE 2.20 1.52 1 133 LYS -0.27 -0.25 1 135 GLN 0.90 0.66 1 139 ASP -2.26 -2.48 1 140 ASP 4.44 3.97 1 141 LEU 4.07 1.87 1 142 ASP 3.19 3.48 1 143 ARG 4.11 3.19 1 144 PHE 4.71 3.74 1 145 VAL 6.08 5.06 1 146 MET 3.51 3.33 1 147 VAL 4.53 3.20 1 148 ALA 4.64 3.20 1 149 LYS 3.54 3.04 1 150 THR -0.37 0.13 1 151 VAL 9.39 6.60 1 153 ASP 3.61 2.66 1 154 ASP 4.33 3.06 1 155 ALA 3.56 2.16 1 156 LYS 4.41 3.29 1 157 GLN 4.86 3.20 1 158 LEU 3.37 1.76 1 159 THR 5.69 4.15 1 160 THR 7.33 5.50 1 161 THR 5.19 4.12 1 162 ILE 6.58 4.76 1 163 ASN 3.87 3.51 1 164 THR 3.40 2.97 1 165 ASN -1.42 -0.10 1 166 ALA 3.82 4.13 1 167 GLU 3.60 2.59 1 168 ALA 1.14 0.67 1 169 LEU -0.76 1.06 1 170 PHE 0.77 -0.17 1 171 ARG -0.74 -0.69 1 176 SER 0.72 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17389_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.42 _LACS_plot.Line_1_terminator_val_y_1 3.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 9.39 _LACS_plot.Line_2_terminator_val_y_2 -2.63 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 LEU -6.42 4.46 0 11 MET 0.93 -0.48 1 12 ASP 0.43 -0.26 1 13 LYS -0.17 -0.42 1 14 ARG -0.22 0.73 1 15 LEU -3.67 1.76 1 16 PHE 0.92 -1.59 1 18 ASP 0.53 -0.60 1 20 ASP 4.62 -1.23 1 21 THR 6.34 -2.18 1 22 ALA 5.55 -2.43 1 23 ILE 4.94 -1.63 1 24 GLU 3.40 -0.71 1 25 ARG 4.36 -1.60 1 26 LEU 3.65 -1.57 1 27 GLN 4.97 -1.83 1 28 ARG 4.70 -1.35 1 29 LEU 1.73 0.66 1 30 GLN 4.54 -1.88 1 31 GLN 4.27 -1.17 1 32 ALA 4.37 -2.19 1 33 LEU 3.00 0.02 1 34 GLU 3.91 -0.65 1 35 MET 4.12 -1.26 1 37 VAL 7.28 -1.74 1 38 SER 5.23 -1.51 1 39 SER 4.63 -1.11 1 40 LEU 3.51 -0.91 1 41 MET 3.81 -3.51 1 42 ALA 2.59 -1.16 1 43 LEU -0.75 0.41 1 44 VAL 3.32 -3.44 1 45 THR -3.04 0.56 1 46 THR 4.52 -1.14 1 51 TYR 5.53 -0.81 1 53 TYR 3.93 -0.28 1 54 MET 3.80 -0.41 1 55 GLU 3.86 -1.06 1 56 ARG 1.73 -0.43 1 57 HIS 0.84 0.48 1 58 ILE 4.59 -1.79 1 59 ASN 4.43 -1.41 1 60 GLU 2.54 -0.06 1 61 ILE 4.54 -0.16 1 62 ARG 5.00 -1.60 1 63 THR 5.29 -1.04 1 64 ALA 3.25 -0.64 1 65 VAL 6.30 -1.97 1 66 ASP 3.80 -0.98 1 67 LYS 4.53 -1.66 1 68 VAL 8.00 -1.87 1 69 GLU 5.40 -0.33 1 70 LEU 3.92 -0.88 1 71 PHE 1.89 -2.11 1 72 LEU 3.67 -1.39 1 73 LYS 5.50 -1.22 1 74 GLU 3.42 -0.42 1 75 TYR 4.80 0.07 1 76 LEU 2.42 -0.40 1 77 HIS 3.51 1.43 1 78 PHE 2.84 0.71 1 79 VAL 5.83 -1.94 1 80 LYS 5.84 -1.53 1 82 ALA 3.72 -1.27 1 83 VAL 6.34 -1.90 1 84 ALA 4.37 -1.80 1 85 ASN 4.80 -2.42 1 86 ALA 2.23 -0.80 1 87 ALA 2.50 -1.66 1 89 LEU 1.64 -1.41 1 91 GLU -3.73 1.63 1 92 LEU 1.06 -1.11 1 93 ILE 4.81 -1.29 1 94 LEU 5.15 -2.40 1 95 HIS 5.35 0.55 1 96 ASN 4.08 -1.23 1 97 LYS 3.03 0.13 1 98 MET 1.64 1.87 1 99 LYS 4.96 -1.71 1 100 ARG 3.85 -1.01 1 101 GLU 2.34 0.01 1 102 LEU 3.69 -1.07 1 103 GLN 3.91 -1.26 1 104 ARG 4.15 -0.96 1 105 VAL 5.00 -1.28 1 106 GLU 4.14 -0.20 1 107 ASP 4.87 -1.69 1 108 SER 5.26 -1.60 1 109 HIS 3.82 1.97 1 110 GLN 5.33 -1.67 1 111 ILE 3.79 -0.48 1 112 LEU 6.05 -3.44 1 113 SER 4.10 -1.31 1 114 GLN 3.94 -0.78 1 115 THR 4.97 -1.02 1 116 SER 4.50 -1.17 1 117 HIS 5.24 -0.30 1 118 ASP 5.03 -1.72 1 119 LEU 4.27 -1.62 1 120 ASN 4.27 -1.27 1 121 GLU 2.96 -0.62 1 123 SER 3.13 -2.57 1 124 TRP 6.66 -5.33 1 125 SER -0.69 0.33 1 126 LEU 3.71 -1.03 1 127 ASN 4.22 -1.22 1 128 ILE 0.59 0.04 1 129 LEU 0.37 0.19 1 130 ALA -2.07 1.95 1 131 ILE 2.20 -0.68 1 133 LYS -0.27 0.02 1 135 GLN 0.90 -0.24 1 139 ASP -2.26 -0.22 1 140 ASP 4.44 -0.47 1 141 LEU 4.07 -2.20 1 142 ASP 3.19 0.29 1 143 ARG 4.11 -0.92 1 144 PHE 4.71 -0.97 1 145 VAL 6.08 -1.02 1 146 MET 3.51 -0.18 1 147 VAL 4.53 -1.33 1 148 ALA 4.64 -1.44 1 149 LYS 3.54 -0.50 1 150 THR -0.37 0.50 1 151 VAL 9.39 -2.79 1 153 ASP 3.61 -0.95 1 154 ASP 4.33 -1.27 1 155 ALA 3.56 -1.40 1 156 LYS 4.41 -1.12 1 157 GLN 4.86 -1.66 1 158 LEU 3.37 -1.61 1 159 THR 5.69 -1.54 1 160 THR 7.33 -1.83 1 161 THR 5.19 -1.07 1 162 ILE 6.58 -1.82 1 163 ASN 3.87 -0.36 1 164 THR 3.40 -0.43 1 165 ASN -1.42 1.32 1 166 ALA 3.82 0.31 1 167 GLU 3.60 -1.01 1 168 ALA 1.14 -0.47 1 169 LEU -0.76 1.82 1 170 PHE 0.77 -0.94 1 171 ARG -0.74 0.05 1 176 SER 0.72 0.81 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17389_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.42 _LACS_plot.Line_1_terminator_val_y_1 0.38 _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 0.07 _LACS_plot.Line_2_terminator_val_x_2 9.39 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 ARG 5.00 -1.48 0 17 LEU -6.42 0.30 0 11 MET 0.93 -0.15 1 12 ASP 0.43 -0.09 1 13 LYS -0.17 -0.07 1 14 ARG -0.22 -0.35 1 15 LEU -3.67 0.09 1 16 PHE 0.92 0.27 1 18 ASP 0.53 -0.05 1 20 ASP 4.62 -0.28 1 21 THR 6.34 -0.46 1 22 ALA 5.55 -0.69 1 23 ILE 4.94 -0.49 1 24 GLU 3.40 -0.36 1 25 ARG 4.36 -0.53 1 26 LEU 3.65 -0.81 1 27 GLN 4.97 -0.37 1 28 ARG 4.70 -0.31 1 29 LEU 1.73 -0.22 1 30 GLN 4.54 -0.63 1 31 GLN 4.27 -0.35 1 32 ALA 4.37 -0.52 1 33 LEU 3.00 -0.30 1 34 GLU 3.91 -0.65 1 35 MET 4.12 -0.22 1 37 VAL 7.28 -0.49 1 38 SER 5.23 -0.32 1 39 SER 4.63 -0.21 1 40 LEU 3.51 -0.22 1 41 MET 3.81 -0.22 1 42 ALA 2.59 -0.23 1 43 LEU -0.75 -0.21 1 44 VAL 3.32 -1.30 1 45 THR -3.04 0.16 1 46 THR 4.52 -0.34 1 51 TYR 5.53 0.24 1 53 TYR 3.93 -0.28 1 54 MET 3.80 -0.33 1 55 GLU 3.86 -0.65 1 56 ARG 1.73 -0.29 1 57 HIS 0.84 0.33 1 58 ILE 4.59 -0.02 1 59 ASN 4.43 -0.44 1 60 GLU 2.54 -0.31 1 61 ILE 4.54 -0.61 1 63 THR 5.29 -0.53 1 64 ALA 3.25 -0.23 1 65 VAL 6.30 -0.74 1 66 ASP 3.80 -0.24 1 67 LYS 4.53 -0.72 1 68 VAL 8.00 -0.65 1 69 GLU 5.40 -0.36 1 70 LEU 3.92 -0.23 1 71 PHE 1.89 0.12 1 72 LEU 3.67 -0.01 1 73 LYS 5.50 -0.73 1 74 GLU 3.42 -0.26 1 75 TYR 4.80 -0.42 1 76 LEU 2.42 -0.30 1 77 HIS 3.51 -0.56 1 78 PHE 2.84 -0.51 1 79 VAL 5.83 -0.34 1 80 LYS 5.84 -0.50 1 82 ALA 3.72 -0.53 1 83 VAL 6.34 -0.59 1 84 ALA 4.37 -0.20 1 85 ASN 4.80 -0.60 1 86 ALA 2.23 -0.38 1 87 ALA 2.50 -0.84 1 89 LEU 1.64 -0.14 1 91 GLU -3.73 0.26 1 92 LEU 1.06 0.34 1 93 ILE 4.81 -0.45 1 94 LEU 5.15 -0.20 1 95 HIS 5.35 -0.96 1 96 ASN 4.08 -0.59 1 97 LYS 3.03 -0.30 1 98 MET 1.64 -0.67 1 99 LYS 4.96 -0.55 1 100 ARG 3.85 -0.17 1 101 GLU 2.34 -0.42 1 102 LEU 3.69 -0.25 1 103 GLN 3.91 -0.30 1 104 ARG 4.15 -0.13 1 105 VAL 5.00 -0.33 1 106 GLU 4.14 -0.27 1 107 ASP 4.87 -0.18 1 108 SER 5.26 -1.04 1 109 HIS 3.82 -0.67 1 110 GLN 5.33 -0.51 1 111 ILE 3.79 -0.27 1 112 LEU 6.05 -0.51 1 113 SER 4.10 -0.31 1 114 GLN 3.94 -0.28 1 115 THR 4.97 -0.19 1 116 SER 4.50 -0.35 1 117 HIS 5.24 -0.36 1 118 ASP 5.03 -0.27 1 119 LEU 4.27 -0.71 1 120 ASN 4.27 -0.15 1 121 GLU 2.96 -0.30 1 123 SER 3.13 -0.25 1 124 TRP 6.66 -1.39 1 125 SER -0.69 -0.15 1 126 LEU 3.71 -0.32 1 127 ASN 4.22 -0.24 1 128 ILE 0.59 -0.16 1 129 LEU 0.37 -0.31 1 130 ALA -2.07 0.48 1 131 ILE 2.20 -0.13 1 133 LYS -0.27 -0.02 1 135 GLN 0.90 -0.12 1 139 ASP -2.26 -0.20 1 140 ASP 4.44 -0.22 1 141 LEU 4.07 -0.07 1 142 ASP 3.19 -0.04 1 143 ARG 4.11 -0.34 1 144 PHE 4.71 -0.91 1 145 VAL 6.08 -0.44 1 146 MET 3.51 -0.44 1 147 VAL 4.53 -0.33 1 148 ALA 4.64 -0.55 1 149 LYS 3.54 -0.41 1 150 THR -0.37 0.17 1 151 VAL 9.39 -0.15 1 153 ASP 3.61 -0.16 1 154 ASP 4.33 0.00 1 155 ALA 3.56 -0.15 1 156 LYS 4.41 -0.64 1 157 GLN 4.86 -0.29 1 158 LEU 3.37 0.33 1 159 THR 5.69 -0.43 1 160 THR 7.33 -0.35 1 161 THR 5.19 -0.56 1 162 ILE 6.58 -0.71 1 163 ASN 3.87 -0.38 1 164 THR 3.40 -0.21 1 165 ASN -1.42 0.44 1 166 ALA 3.82 -0.21 1 167 GLU 3.60 -0.32 1 168 ALA 1.14 -0.10 1 169 LEU -0.76 -0.57 1 170 PHE 0.77 0.30 1 171 ARG -0.74 0.12 1 176 SER 0.72 -0.20 1 stop_ save_