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 bmr6379_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.14 _LACS_plot.Line_1_terminator_val_y_1 -3.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.53 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 4.05 _LACS_plot.Y_axis_chem_shift_offset 0.88 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 GLU 5.86 -0.09 0 76 PHE 2.67 -2.46 0 74 LYS 1.54 -3.19 0 10 ARG 5.35 3.13 1 11 ARG 5.11 3.19 1 12 THR 5.67 4.03 1 13 MET 2.05 0.73 1 14 LEU 5.64 3.20 1 15 LEU 3.67 1.99 1 16 ARG 5.14 3.07 1 17 PHE 4.75 3.28 1 18 GLN 3.94 2.15 1 19 ARG -0.10 -0.95 1 20 MET 3.58 2.26 1 21 GLU -2.12 -1.36 1 22 THR -5.37 -3.05 1 23 ALA 4.50 2.04 1 24 GLU 4.88 1.83 1 25 GLU 0.34 -0.92 1 26 VAL 5.47 3.08 1 27 TYR 4.36 1.10 1 28 HIS 4.61 2.92 1 29 GLU 3.04 1.51 1 30 ILE 1.91 3.83 1 32 LEU 4.05 2.37 1 33 GLN 4.28 1.58 1 34 ALA 4.04 2.67 1 35 GLN 5.06 2.66 1 36 GLN 3.95 2.47 1 37 LEU 0.67 -1.01 1 39 TYR 1.66 0.53 1 40 ASP 0.09 2.00 1 41 TYR -6.89 -3.75 1 42 TYR -8.14 -3.17 1 43 SER -4.13 -1.91 1 44 LEU -3.61 -1.78 1 46 VAL -3.48 -2.37 1 47 ARG -3.96 -1.91 1 48 HIS -3.11 -2.82 1 50 VAL -3.75 -3.08 1 52 PHE 3.82 0.98 1 53 THR -1.72 -1.90 1 54 ARG 0.33 -2.04 1 56 LYS 0.69 -0.83 1 57 VAL -2.02 -1.67 1 58 ALA -4.68 -2.11 1 59 PHE -5.23 -2.59 1 60 TYR -3.26 -1.64 1 61 THR -0.30 -2.10 1 62 ASN 0.01 -1.37 1 63 TYR -1.91 -4.26 1 65 GLU 4.91 2.47 1 66 ALA 3.52 1.97 1 67 TRP -1.20 -0.60 1 68 VAL 6.29 4.20 1 69 SER 4.44 2.55 1 70 TYR 4.22 3.40 1 71 TYR 3.04 1.61 1 72 GLN 3.51 2.79 1 73 ALA 4.16 1.85 1 75 ASN 3.12 0.22 1 77 LEU 2.98 2.37 1 78 ALA 1.15 0.82 1 79 ILE -2.73 -2.03 1 80 ASP 0.42 -0.22 1 82 VAL 3.50 -1.03 1 83 LEU -1.84 -3.82 1 84 ASN -3.14 -2.95 1 86 GLU 2.82 0.68 1 87 ASN 0.74 -0.03 1 88 PHE -0.12 0.54 1 89 SER -0.29 -0.96 1 92 HIS -3.79 -0.91 1 93 LEU -1.52 -0.69 1 94 MET -1.87 -1.82 1 95 TRP -0.14 -1.37 1 96 ASN -1.88 -1.43 1 97 ASP 5.28 3.53 1 98 ASP 4.74 2.38 1 99 LEU 2.84 1.16 1 100 PHE 1.60 -0.55 1 102 GLU 1.09 -1.81 1 103 ALA -2.66 -2.68 1 104 GLN 4.26 2.12 1 106 LEU -2.46 -0.48 1 107 TRP 3.91 2.08 1 108 GLU 2.68 1.59 1 109 ALA 5.08 2.16 1 110 ALA 4.99 2.62 1 111 ARG 3.37 1.21 1 112 ALA 3.20 1.20 1 113 HIS 2.21 -0.69 1 115 LEU -0.07 0.45 1 116 ARG -5.74 -2.93 1 117 ARG -4.49 -3.07 1 119 VAL -2.64 0.14 1 120 THR -4.48 -2.76 1 121 GLN -7.03 -4.19 1 122 TYR -5.14 -1.33 1 123 LEU -2.26 -1.76 1 124 MET 0.11 -0.52 1 129 ALA -3.80 -1.52 1 130 LEU -3.32 -1.89 1 132 PHE -4.11 -2.28 1 133 LEU -1.32 -1.08 1 134 SER -5.87 -5.97 1 135 PHE -4.10 -0.96 1 136 SER -5.46 -2.04 1 137 ARG -0.65 -1.02 1 139 SER 0.02 -0.77 1 140 ALA 1.38 0.07 1 141 ARG 0.28 -0.79 1 142 GLU -1.92 -2.74 1 143 ILE -0.09 -0.76 1 145 ILE 1.29 -0.69 1 146 LEU 0.71 0.19 1 147 SER 3.78 1.42 1 148 ASP 3.76 2.08 1 149 GLU 4.84 3.01 1 150 LEU 5.39 3.30 1 151 GLN 4.92 3.70 1 153 LYS 6.45 5.58 1 154 MET 4.35 3.48 1 155 GLN 5.62 3.33 1 156 LEU 3.51 2.62 1 157 LEU 6.04 3.34 1 158 VAL 4.75 3.72 1 159 ARG 4.18 0.82 1 160 GLU 4.61 2.52 1 163 MET 3.76 2.36 1 164 ALA 5.07 2.63 1 165 LEU 3.82 2.65 1 166 MET 4.16 2.24 1 167 ARG 1.75 0.07 1 168 LEU 1.52 0.44 1 169 ASN 1.68 -0.68 1 170 ASP 0.40 -0.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6379_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.14 _LACS_plot.Line_1_terminator_val_y_1 4.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.53 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 -2.39 _LACS_plot.Y_axis_chem_shift_offset 0.88 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 GLU 5.86 -5.95 0 76 PHE 2.67 -5.13 0 74 LYS 1.54 -4.73 0 10 ARG 5.35 -2.22 1 11 ARG 5.11 -1.92 1 12 THR 5.67 -1.64 1 13 MET 2.05 -1.32 1 14 LEU 5.64 -2.44 1 15 LEU 3.67 -1.68 1 16 ARG 5.14 -2.07 1 17 PHE 4.75 -1.47 1 18 GLN 3.94 -1.79 1 19 ARG -0.10 -0.85 1 20 MET 3.58 -1.32 1 21 GLU -2.12 0.76 1 22 THR -5.37 2.32 1 23 ALA 4.50 -2.46 1 24 GLU 4.88 -3.05 1 25 GLU 0.34 -1.26 1 26 VAL 5.47 -2.39 1 27 TYR 4.36 -3.26 1 28 HIS 4.61 -1.69 1 29 GLU 3.04 -1.53 1 30 ILE 1.91 1.92 1 32 LEU 4.05 -1.68 1 33 GLN 4.28 -2.70 1 34 ALA 4.04 -1.37 1 35 GLN 5.06 -2.40 1 36 GLN 3.95 -1.48 1 37 LEU 0.67 -1.68 1 39 TYR 1.66 -1.13 1 40 ASP 0.09 1.91 1 41 TYR -6.89 3.14 1 42 TYR -8.14 4.97 1 43 SER -4.13 2.22 1 44 LEU -3.61 1.83 1 46 VAL -3.48 1.11 1 47 ARG -3.96 2.05 1 48 HIS -3.11 0.29 1 50 VAL -3.75 0.67 1 52 PHE 3.82 -2.84 1 53 THR -1.72 -0.18 1 54 ARG 0.33 -2.37 1 56 LYS 0.69 -1.52 1 57 VAL -2.02 0.35 1 58 ALA -4.68 2.57 1 59 PHE -5.23 2.64 1 60 TYR -3.26 1.62 1 61 THR -0.30 -1.80 1 62 ASN 0.01 -1.38 1 63 TYR -1.91 -2.35 1 65 GLU 4.91 -2.44 1 66 ALA 3.52 -1.55 1 67 TRP -1.20 0.60 1 68 VAL 6.29 -2.09 1 69 SER 4.44 -1.89 1 70 TYR 4.22 -0.82 1 71 TYR 3.04 -1.43 1 72 GLN 3.51 -0.72 1 73 ALA 4.16 -2.31 1 75 ASN 3.12 -2.90 1 77 LEU 2.98 -0.61 1 78 ALA 1.15 -0.33 1 79 ILE -2.73 0.70 1 80 ASP 0.42 -0.64 1 82 VAL 3.50 -4.53 1 83 LEU -1.84 -1.98 1 84 ASN -3.14 0.19 1 86 GLU 2.82 -2.14 1 87 ASN 0.74 -0.77 1 88 PHE -0.12 0.66 1 89 SER -0.29 -0.67 1 92 HIS -3.79 2.88 1 93 LEU -1.52 0.83 1 94 MET -1.87 0.05 1 95 TRP -0.14 -1.23 1 96 ASN -1.88 0.45 1 97 ASP 5.28 -1.75 1 98 ASP 4.74 -2.36 1 99 LEU 2.84 -1.68 1 100 PHE 1.60 -2.15 1 102 GLU 1.09 -2.90 1 103 ALA -2.66 -0.02 1 104 GLN 4.26 -2.14 1 106 LEU -2.46 1.98 1 107 TRP 3.91 -1.83 1 108 GLU 2.68 -1.09 1 109 ALA 5.08 -2.92 1 110 ALA 4.99 -2.37 1 111 ARG 3.37 -2.16 1 112 ALA 3.20 -2.00 1 113 HIS 2.21 -2.90 1 115 LEU -0.07 0.52 1 116 ARG -5.74 2.81 1 117 ARG -4.49 1.42 1 119 VAL -2.64 2.78 1 120 THR -4.48 1.72 1 121 GLN -7.03 2.84 1 122 TYR -5.14 3.81 1 123 LEU -2.26 0.50 1 124 MET 0.11 -0.63 1 129 ALA -3.80 2.28 1 130 LEU -3.32 1.43 1 132 PHE -4.11 1.83 1 133 LEU -1.32 0.24 1 134 SER -5.87 -0.10 1 135 PHE -4.10 3.14 1 136 SER -5.46 3.42 1 137 ARG -0.65 -0.37 1 139 SER 0.02 -0.79 1 140 ALA 1.38 -1.31 1 141 ARG 0.28 -1.07 1 142 GLU -1.92 -0.82 1 143 ILE -0.09 -0.67 1 145 ILE 1.29 -1.98 1 146 LEU 0.71 -0.52 1 147 SER 3.78 -2.36 1 148 ASP 3.76 -1.68 1 149 GLU 4.84 -1.83 1 150 LEU 5.39 -2.09 1 151 GLN 4.92 -1.22 1 153 LYS 6.45 -0.87 1 154 MET 4.35 -0.87 1 155 GLN 5.62 -2.29 1 156 LEU 3.51 -0.89 1 157 LEU 6.04 -2.70 1 158 VAL 4.75 -1.03 1 159 ARG 4.18 -3.36 1 160 GLU 4.61 -2.09 1 163 MET 3.76 -1.40 1 164 ALA 5.07 -2.44 1 165 LEU 3.82 -1.17 1 166 MET 4.16 -1.92 1 167 ARG 1.75 -1.68 1 168 LEU 1.52 -1.08 1 169 ASN 1.68 -2.36 1 170 ASP 0.40 -0.61 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6379_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.14 _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 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 2.55 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 ASN -3.14 4.47 0 10 ARG 5.35 0.54 1 11 ARG 5.11 2.63 1 12 THR 5.67 1.78 1 13 MET 2.05 2.39 1 14 LEU 5.64 2.33 1 15 LEU 3.67 1.50 1 16 ARG 5.14 3.66 1 17 PHE 4.75 2.60 1 18 GLN 3.94 0.93 1 19 ARG -0.10 0.33 1 20 MET 3.58 0.33 1 21 GLU -2.12 -1.23 1 22 THR -5.37 -0.92 1 23 ALA 4.50 0.39 1 24 GLU 4.88 1.68 1 25 GLU 0.34 2.36 1 26 VAL 5.47 1.45 1 27 TYR 4.36 2.29 1 28 HIS 4.61 2.56 1 29 GLU 3.04 2.00 1 30 ILE 1.91 0.63 1 32 LEU 4.05 2.75 1 33 GLN 4.28 2.79 1 34 ALA 4.04 2.13 1 35 GLN 5.06 5.58 1 36 GLN 3.95 1.57 1 37 LEU 0.67 0.10 1 38 GLU 5.86 -0.97 1 39 TYR 1.66 -2.27 1 40 ASP 0.09 -0.23 1 41 TYR -6.89 -1.09 1 42 TYR -8.14 -1.68 1 43 SER -4.13 -2.89 1 44 LEU -3.61 -3.32 1 46 VAL -3.48 -1.52 1 47 ARG -3.96 -1.26 1 48 HIS -3.11 -2.63 1 50 VAL -3.75 -0.82 1 52 PHE 3.82 -0.58 1 53 THR -1.72 -1.16 1 54 ARG 0.33 -2.79 1 56 LYS 0.69 -0.60 1 57 VAL -2.02 -1.72 1 58 ALA -4.68 -2.45 1 59 PHE -5.23 -2.81 1 60 TYR -3.26 -1.41 1 61 THR -0.30 -3.91 1 62 ASN 0.01 0.56 1 65 GLU 4.91 1.45 1 66 ALA 3.52 3.38 1 67 TRP -1.20 -0.99 1 68 VAL 6.29 1.99 1 69 SER 4.44 2.22 1 70 TYR 4.22 0.92 1 71 TYR 3.04 3.92 1 72 GLN 3.51 3.12 1 73 ALA 4.16 1.91 1 74 LYS 1.54 -0.90 1 75 ASN 3.12 1.50 1 76 PHE 2.67 1.34 1 77 LEU 2.98 1.13 1 78 ALA 1.15 0.96 1 79 ILE -2.73 -0.64 1 80 ASP 0.42 1.67 1 82 VAL 3.50 -3.84 1 83 LEU -1.84 -2.07 1 86 GLU 2.82 0.72 1 87 ASN 0.74 -1.06 1 88 PHE -0.12 -0.39 1 89 SER -0.29 0.31 1 92 HIS -3.79 -0.34 1 93 LEU -1.52 -2.93 1 94 MET -1.87 -0.77 1 95 TRP -0.14 -0.63 1 96 ASN -1.88 -1.53 1 97 ASP 5.28 2.64 1 98 ASP 4.74 2.26 1 99 LEU 2.84 -0.42 1 100 PHE 1.60 0.87 1 102 GLU 1.09 -1.46 1 103 ALA -2.66 -1.16 1 106 LEU 4.26 -0.60 1 107 TRP -2.46 2.15 1 108 GLU 3.91 2.61 1 109 ALA 2.68 2.49 1 110 ALA 5.08 2.23 1 111 ARG 4.99 4.52 1 112 ALA 3.37 1.02 1 113 HIS 3.20 -0.87 1 115 LEU 2.21 -2.22 1 116 ARG -0.07 0.49 1 117 ARG -5.74 -1.19 1 119 VAL -4.49 -3.28 1 120 THR -2.64 -3.39 1 121 GLN -4.48 -2.24 1 122 TYR -7.03 -2.02 1 123 LEU -5.14 -5.31 1 124 MET -2.26 -0.30 1 129 ALA 0.11 -2.42 1 130 LEU -3.80 -2.19 1 132 PHE -3.32 0.11 1 133 LEU -4.11 -3.90 1 134 SER -1.32 -0.72 1 135 PHE -5.87 -1.60 1 136 SER -4.10 0.22 1 137 ARG -5.46 -1.25 1 139 SER -0.65 -0.34 1 140 ALA 0.02 -0.07 1 141 ARG 1.38 -0.13 1 142 GLU 0.28 -0.68 1 143 ILE -1.92 -1.86 1 145 ILE -0.09 -0.52 1 146 LEU 1.29 -0.38 1 147 SER 0.71 0.54 1 148 ASP 3.78 0.83 1 149 GLU 3.76 1.78 1 150 LEU 4.84 0.82 1 151 GLN 5.39 1.92 1 153 LYS 4.92 2.78 1 154 MET 6.45 1.89 1 155 GLN 4.35 2.06 1 156 LEU 5.62 1.23 1 157 LEU 3.51 2.58 1 158 VAL 6.04 -2.19 1 159 ARG 4.75 1.58 1 163 MET 4.61 3.13 1 164 ALA 3.76 1.25 1 165 LEU 5.07 2.28 1 166 MET 3.82 2.48 1 167 ARG 4.16 1.95 1 168 LEU 1.75 -0.59 1 169 ASN 1.52 -0.66 1 170 ASP 1.68 -1.85 1 171 GLU 0.40 3.50 1 stop_ save_