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 bmr19001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 5.49 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 VAL 7.26 5.61 0 109 ILE -0.08 -2.51 0 10 SER 0.32 0.23 1 11 SER 0.38 0.37 1 13 GLU -0.41 0.03 1 14 SER 0.33 0.13 1 15 LYS 0.08 -0.03 1 16 VAL 0.17 0.04 1 17 LYS -0.19 -0.17 1 18 LYS -0.54 -0.20 1 19 ILE -0.04 -0.93 1 20 GLU -1.76 -0.20 1 21 PHE -0.19 -0.33 1 22 SER -0.06 0.29 1 23 LYS -1.98 -0.25 1 24 PHE -2.57 -1.07 1 25 THR -2.21 -0.96 1 26 VAL -6.15 -3.67 1 27 LYS 0.81 0.09 1 28 ILE -6.68 -2.09 1 29 LYS -5.26 -0.80 1 30 ASN -5.56 -1.82 1 31 LYS -1.42 -0.68 1 32 ASP -2.03 -1.80 1 33 LYS 3.95 2.70 1 34 SER -0.01 0.14 1 36 ASN -2.11 -1.18 1 37 TRP -0.68 -0.15 1 38 THR -3.24 -1.42 1 39 ASP 3.53 2.94 1 40 LEU -0.02 0.75 1 42 ASP -4.16 -1.10 1 43 LEU -4.16 -2.16 1 44 VAL -1.03 -1.27 1 45 VAL 1.05 -0.57 1 46 ARG -4.73 -1.48 1 47 LYS 0.16 -0.99 1 48 GLU -4.29 -2.26 1 49 GLU 3.87 3.14 1 50 ASN -1.71 -1.17 1 52 ILE -6.25 -1.46 1 53 ASP -4.92 -1.04 1 54 THR -4.28 -3.07 1 56 LEU -4.32 -1.83 1 57 ASN -1.68 -1.41 1 58 ALA -2.97 -1.19 1 61 HIS -3.78 0.51 1 62 SER -2.09 -1.54 1 63 ALA -4.63 -1.21 1 64 THR 4.00 3.02 1 65 PHE 1.72 2.32 1 66 PHE -1.76 0.06 1 67 SER -4.20 -1.07 1 68 LEU -2.03 -0.17 1 69 GLU -2.43 -0.55 1 70 GLU 2.87 2.57 1 71 GLU 2.88 2.28 1 72 VAL -1.01 -0.60 1 74 ASN 5.19 3.71 1 75 ASN 2.91 3.02 1 76 PHE 3.81 3.47 1 77 VAL 5.91 4.68 1 78 LYS 3.50 3.26 1 79 VAL 5.01 3.06 1 80 MET 1.97 -0.53 1 81 THR -1.84 -0.52 1 82 GLU -2.93 -0.16 1 85 SER -4.55 -1.93 1 86 PHE -3.48 -1.72 1 87 LYS -1.14 -0.47 1 88 THR -1.80 -0.99 1 89 SER 2.55 1.38 1 90 LEU -4.98 -0.39 1 91 TYR -2.49 0.33 1 92 TYR -0.70 0.75 1 94 TYR -4.86 -2.87 1 95 LYS 2.63 2.63 1 96 GLU 0.05 0.03 1 97 GLU -2.06 0.42 1 98 GLN 4.85 3.45 1 99 SER 0.94 1.28 1 100 VAL 4.03 3.14 1 101 ILE 3.60 1.98 1 102 ASN -1.11 1.06 1 104 ILE -3.56 -1.11 1 105 GLN -1.48 -0.35 1 106 ASN 2.95 1.06 1 107 LYS -0.12 -0.14 1 108 GLU -1.24 -0.57 1 110 ILE -1.98 -1.18 1 111 THR -4.78 -3.41 1 112 LYS -4.32 -1.36 1 113 ILE 0.62 0.15 1 114 GLU -6.45 -1.68 1 115 LYS -0.84 -0.41 1 116 ILE -0.21 0.30 1 117 ASP 2.53 1.26 1 119 THR -1.81 -0.20 1 120 GLU -0.16 1.26 1 121 TYR -2.95 -0.43 1 122 ILE -2.28 -3.13 1 123 THR -5.39 -3.35 1 124 PHE -2.71 -0.97 1 125 SER -2.26 -0.94 1 127 ASP -6.18 -2.06 1 128 LYS -0.11 0.53 1 129 ILE -0.58 -1.69 1 130 LYS 2.25 2.15 1 131 ASN 2.81 1.49 1 132 SER -2.10 -0.99 1 134 ASP 0.27 0.04 1 135 LYS -0.67 -0.05 1 136 VAL -5.04 -3.03 1 137 ALA -1.52 -0.21 1 138 GLU -5.65 -0.55 1 139 TYR -5.34 -0.18 1 140 ALA -5.67 -1.81 1 141 ILE -5.66 -0.72 1 142 SER 1.75 0.76 1 143 LEU 2.42 2.67 1 144 GLU 3.29 2.68 1 145 GLU 2.36 2.69 1 146 LEU 4.31 3.46 1 147 LYS 4.55 3.93 1 148 LYS 2.72 2.13 1 149 ASN 0.14 1.58 1 150 LEU 0.03 -0.88 1 151 LYS 0.57 0.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 4.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 -1.77 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 VAL 7.26 -1.65 0 109 ILE -0.08 -2.43 0 10 SER 0.32 -0.09 1 11 SER 0.38 -0.01 1 13 GLU -0.41 0.44 1 14 SER 0.33 -0.20 1 15 LYS 0.08 -0.11 1 16 VAL 0.17 -0.13 1 17 LYS -0.19 0.02 1 18 LYS -0.54 0.34 1 19 ILE -0.04 -0.89 1 20 GLU -1.76 1.56 1 21 PHE -0.19 -0.14 1 22 SER -0.06 0.35 1 23 LYS -1.98 1.73 1 24 PHE -2.57 1.50 1 25 THR -2.21 1.25 1 26 VAL -6.15 2.48 1 27 LYS 0.81 -0.72 1 28 ILE -6.68 4.59 1 29 LYS -5.26 4.46 1 30 ASN -5.56 3.74 1 31 LYS -1.42 0.74 1 32 ASP -2.03 0.23 1 33 LYS 3.95 -1.25 1 34 SER -0.01 0.15 1 36 ASN -2.11 0.93 1 37 TRP -0.68 0.53 1 38 THR -3.24 1.82 1 39 ASP 3.53 -0.59 1 40 LEU -0.02 0.77 1 42 ASP -4.16 3.06 1 43 LEU -4.16 2.00 1 44 VAL -1.03 -0.24 1 45 VAL 1.05 -1.62 1 46 ARG -4.73 3.25 1 47 LYS 0.16 -1.15 1 48 GLU -4.29 2.03 1 49 GLU 3.87 -0.73 1 50 ASN -1.71 0.54 1 52 ILE -6.25 4.79 1 53 ASP -4.92 3.88 1 54 THR -4.28 1.21 1 56 LEU -4.32 2.49 1 57 ASN -1.68 0.27 1 58 ALA -2.97 1.78 1 61 HIS -3.78 4.29 1 62 SER -2.09 0.55 1 63 ALA -4.63 3.42 1 64 THR 4.00 -0.98 1 65 PHE 1.72 0.60 1 66 PHE -1.76 1.82 1 67 SER -4.20 3.13 1 68 LEU -2.03 1.86 1 69 GLU -2.43 1.88 1 70 GLU 2.87 -0.30 1 71 GLU 2.88 -0.60 1 72 VAL -1.01 0.41 1 74 ASN 5.19 -1.48 1 75 ASN 2.91 0.11 1 76 PHE 3.81 -0.34 1 77 VAL 5.91 -1.23 1 78 LYS 3.50 -0.24 1 79 VAL 5.01 -1.95 1 80 MET 1.97 -2.50 1 81 THR -1.84 1.32 1 82 GLU -2.93 2.77 1 85 SER -4.55 2.62 1 86 PHE -3.48 1.76 1 87 LYS -1.14 0.67 1 88 THR -1.80 0.81 1 89 SER 2.55 -1.17 1 90 LEU -4.98 4.59 1 91 TYR -2.49 2.82 1 92 TYR -0.70 1.45 1 94 TYR -4.86 1.99 1 95 LYS 2.63 0.00 1 96 GLU 0.05 -0.02 1 97 GLU -2.06 2.48 1 98 GLN 4.85 -1.40 1 99 SER 0.94 0.34 1 100 VAL 4.03 -0.89 1 101 ILE 3.60 -1.62 1 102 ASN -1.11 2.17 1 104 ILE -3.56 2.45 1 105 GLN -1.48 1.13 1 106 ASN 2.95 -1.89 1 107 LYS -0.12 -0.02 1 108 GLU -1.24 0.67 1 110 ILE -1.98 0.80 1 111 THR -4.78 1.37 1 112 LYS -4.32 2.96 1 113 ILE 0.62 -0.47 1 114 GLU -6.45 4.77 1 115 LYS -0.84 0.43 1 116 ILE -0.21 0.51 1 117 ASP 2.53 -1.27 1 119 THR -1.81 1.61 1 120 GLU -0.16 1.42 1 121 TYR -2.95 2.52 1 122 ILE -2.28 -0.85 1 123 THR -5.39 2.04 1 124 PHE -2.71 1.74 1 125 SER -2.26 1.32 1 127 ASP -6.18 4.12 1 128 LYS -0.11 0.64 1 129 ILE -0.58 -1.11 1 130 LYS 2.25 -0.10 1 131 ASN 2.81 -1.32 1 132 SER -2.10 1.11 1 134 ASP 0.27 -0.23 1 135 LYS -0.67 0.62 1 136 VAL -5.04 2.01 1 137 ALA -1.52 1.31 1 138 GLU -5.65 5.10 1 139 TYR -5.34 5.16 1 140 ALA -5.67 3.86 1 141 ILE -5.66 4.94 1 142 SER 1.75 -0.99 1 143 LEU 2.42 0.25 1 144 GLU 3.29 -0.61 1 145 GLU 2.36 0.33 1 146 LEU 4.31 -0.85 1 147 LYS 4.55 -0.62 1 148 LYS 2.72 -0.59 1 149 ASN 0.14 1.44 1 150 LEU 0.03 -0.91 1 151 LYS 0.57 0.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 0.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _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 23 LYS -1.98 1.24 0 111 THR -4.78 1.55 0 123 THR -5.39 1.61 0 142 SER 1.75 -1.16 0 10 SER 0.32 -0.05 1 11 SER 0.38 -0.04 1 13 GLU -0.41 -0.08 1 14 SER 0.33 -0.09 1 15 LYS 0.08 0.00 1 16 VAL 0.17 -0.11 1 17 LYS -0.19 -0.04 1 18 LYS -0.54 0.00 1 19 ILE -0.04 0.04 1 20 GLU -1.76 0.02 1 21 PHE -0.19 0.10 1 22 SER -0.06 0.14 1 24 PHE -2.57 0.38 1 25 THR -2.21 1.09 1 26 VAL -6.15 0.74 1 27 LYS 0.81 0.52 1 28 ILE -6.68 1.12 1 29 LYS -5.26 0.88 1 30 ASN -5.56 1.12 1 31 LYS -1.42 0.04 1 32 ASP -2.03 -0.15 1 33 LYS 3.95 -0.31 1 34 SER -0.01 -0.02 1 36 ASN -2.11 -0.07 1 37 TRP -0.68 0.05 1 38 THR -3.24 0.32 1 39 ASP 3.53 -0.17 1 40 LEU -0.02 0.28 1 42 ASP -4.16 0.70 1 43 LEU -4.16 0.67 1 44 VAL -1.03 0.31 1 45 VAL 1.05 -0.15 1 46 ARG -4.73 0.71 1 47 LYS 0.16 0.13 1 48 GLU -4.29 0.29 1 49 GLU 3.87 -0.49 1 50 ASN -1.71 0.12 1 52 ILE -6.25 0.67 1 53 ASP -4.92 0.53 1 54 THR -4.28 1.22 1 56 LEU -4.32 0.60 1 57 ASN -1.68 0.83 1 58 ALA -2.97 0.48 1 61 HIS -3.78 -0.02 1 62 SER -2.09 1.08 1 63 ALA -4.63 0.18 1 64 THR 4.00 -0.15 1 65 PHE 1.72 0.19 1 66 PHE -1.76 0.51 1 67 SER -4.20 1.06 1 68 LEU -2.03 0.72 1 69 GLU -2.43 0.08 1 70 GLU 2.87 -0.38 1 71 GLU 2.88 -0.18 1 72 VAL -1.01 0.20 1 73 VAL 7.26 -0.81 1 74 ASN 5.19 -0.35 1 75 ASN 2.91 -0.17 1 76 PHE 3.81 -1.18 1 77 VAL 5.91 -1.04 1 78 LYS 3.50 -0.49 1 79 VAL 5.01 -0.58 1 80 MET 1.97 -0.12 1 81 THR -1.84 0.13 1 82 GLU -2.93 0.16 1 85 SER -4.55 1.36 1 86 PHE -3.48 0.29 1 87 LYS -1.14 -0.02 1 88 THR -1.80 0.14 1 89 SER 2.55 0.07 1 90 LEU -4.98 0.32 1 91 TYR -2.49 -0.04 1 92 TYR -0.70 -0.07 1 94 TYR -4.86 0.30 1 95 LYS 2.63 -0.61 1 96 GLU 0.05 0.00 1 98 GLN 4.85 -0.38 1 99 SER 0.94 -0.41 1 100 VAL 4.03 -0.10 1 101 ILE 3.60 -0.15 1 102 ASN -1.11 0.22 1 104 ILE -3.56 0.22 1 105 GLN -1.48 0.38 1 106 ASN 2.95 0.04 1 107 LYS -0.12 -0.29 1 108 GLU -1.24 0.04 1 109 ILE -0.08 -0.05 1 110 ILE -1.98 0.51 1 112 LYS -4.32 0.39 1 113 ILE 0.62 0.88 1 114 GLU -6.45 0.38 1 115 LYS -0.84 0.64 1 116 ILE -0.21 -0.11 1 117 ASP 2.53 -0.35 1 119 THR -1.81 0.19 1 120 GLU -0.16 0.07 1 121 TYR -2.95 0.22 1 122 ILE -2.28 0.71 1 124 PHE -2.71 0.67 1 125 SER -2.26 1.04 1 127 ASP -6.18 0.29 1 128 LYS -0.11 0.12 1 129 ILE -0.58 0.12 1 130 LYS 2.25 -0.33 1 131 ASN 2.81 -0.28 1 132 SER -2.10 0.23 1 134 ASP 0.27 -0.12 1 135 LYS -0.67 0.01 1 136 VAL -5.04 0.63 1 137 ALA -1.52 -0.15 1 138 GLU -5.65 0.55 1 139 TYR -5.34 1.02 1 140 ALA -5.67 1.18 1 141 ILE -5.66 0.33 1 143 LEU 2.42 -0.25 1 144 GLU 3.29 -0.51 1 145 GLU 2.36 -0.45 1 146 LEU 4.31 -0.56 1 147 LYS 4.55 -0.62 1 148 LYS 2.72 -0.42 1 149 ASN 0.14 -0.47 1 150 LEU 0.03 -0.23 1 151 LYS 0.57 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.68 _LACS_plot.Line_1_terminator_val_y_1 -2.07 _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 -0.78 _LACS_plot.Line_2_terminator_val_x_2 7.26 _LACS_plot.Line_2_terminator_val_y_2 1.53 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 VAL 7.26 0.28 0 151 LYS 0.57 3.76 0 10 SER 0.32 0.24 1 11 SER 0.38 0.57 1 13 GLU -0.41 0.05 1 14 SER 0.33 0.02 1 15 LYS 0.08 -0.23 1 16 VAL 0.17 -0.55 1 17 LYS -0.19 -0.73 1 18 LYS -0.54 -0.59 1 19 ILE -0.04 -0.34 1 20 GLU -1.76 -0.20 1 21 PHE -0.19 -2.77 1 22 SER -0.06 -0.53 1 23 LYS -1.98 -1.62 1 24 PHE -2.57 -4.18 1 25 THR -2.21 -0.79 1 26 VAL -6.15 -2.15 1 27 LYS 0.81 0.04 1 28 ILE -6.68 -2.73 1 29 LYS -5.26 -1.07 1 30 ASN -5.56 -1.26 1 31 LYS -1.42 0.37 1 32 ASP -2.03 2.05 1 33 LYS 3.95 0.91 1 34 SER -0.01 -0.63 1 36 ASN -2.11 -0.09 1 37 TRP -0.68 0.84 1 38 THR -3.24 -1.83 1 39 ASP 3.53 -1.21 1 40 LEU -0.02 -1.90 1 42 ASP -4.16 -2.96 1 43 LEU -4.16 -3.02 1 44 VAL -1.03 -0.79 1 45 VAL 1.05 -2.67 1 46 ARG -4.73 -2.02 1 47 LYS 0.16 -0.88 1 48 GLU -4.29 -1.14 1 49 GLU 3.87 0.46 1 50 ASN -1.71 -0.63 1 52 ILE -6.25 -3.04 1 53 ASP -4.92 -1.55 1 54 THR -4.28 -1.09 1 56 LEU -4.32 -2.73 1 57 ASN -1.68 -1.12 1 58 ALA -2.97 -0.15 1 61 HIS -3.78 -0.26 1 62 SER -2.09 -1.36 1 63 ALA -4.63 -1.68 1 64 THR 4.00 -2.20 1 65 PHE 1.72 0.33 1 66 PHE -1.76 -2.92 1 67 SER -4.20 -1.65 1 68 LEU -2.03 -2.08 1 69 GLU -2.43 0.68 1 70 GLU 2.87 2.13 1 71 GLU 2.88 0.22 1 72 VAL -1.01 -0.52 1 74 ASN 5.19 2.86 1 75 ASN 2.91 0.82 1 76 PHE 3.81 -0.41 1 77 VAL 5.91 1.03 1 78 LYS 3.50 1.86 1 79 VAL 5.01 3.57 1 80 MET 1.97 -2.88 1 81 THR -1.84 0.93 1 82 GLU -2.93 0.92 1 85 SER -4.55 -1.10 1 86 PHE -3.48 -4.36 1 87 LYS -1.14 -0.42 1 88 THR -1.80 -0.78 1 89 SER 2.55 1.66 1 90 LEU -4.98 -3.17 1 91 TYR -2.49 -2.88 1 92 TYR -0.70 0.41 1 94 TYR -4.86 -0.62 1 95 LYS 2.63 -1.19 1 96 GLU 0.05 -0.21 1 97 GLU -2.06 1.77 1 98 GLN 4.85 1.46 1 99 SER 0.94 1.40 1 100 VAL 4.03 -1.04 1 101 ILE 3.60 0.81 1 102 ASN -1.11 0.96 1 104 ILE -3.56 -0.50 1 105 GLN -1.48 0.52 1 106 ASN 2.95 -1.03 1 107 LYS -0.12 -0.21 1 108 GLU -1.24 -2.15 1 109 ILE -0.08 -2.72 1 110 ILE -1.98 0.55 1 111 THR -4.78 0.03 1 112 LYS -4.32 -2.15 1 113 ILE 0.62 0.13 1 114 GLU -6.45 -2.13 1 115 LYS -0.84 -0.17 1 116 ILE -0.21 -0.42 1 117 ASP 2.53 0.13 1 119 THR -1.81 -1.75 1 120 GLU -0.16 -0.93 1 121 TYR -2.95 -0.96 1 122 ILE -2.28 -1.15 1 123 THR -5.39 -0.56 1 124 PHE -2.71 -2.07 1 125 SER -2.26 0.33 1 127 ASP -6.18 -1.02 1 128 LYS -0.11 -0.35 1 129 ILE -0.58 1.23 1 130 LYS 2.25 0.26 1 131 ASN 2.81 -0.55 1 132 SER -2.10 0.57 1 134 ASP 0.27 -0.78 1 135 LYS -0.67 -0.99 1 136 VAL -5.04 -0.41 1 137 ALA -1.52 -1.28 1 138 GLU -5.65 -2.96 1 139 TYR -5.34 -1.45 1 140 ALA -5.67 -1.46 1 141 ILE -5.66 -1.82 1 142 SER 1.75 0.50 1 143 LEU 2.42 0.86 1 144 GLU 3.29 2.65 1 145 GLU 2.36 2.72 1 146 LEU 4.31 0.98 1 147 LYS 4.55 2.07 1 148 LYS 2.72 0.15 1 149 ASN 0.14 -0.52 1 150 LEU 0.03 -3.61 1 stop_ save_