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 bmr18013_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _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 7.66 _LACS_plot.Line_2_terminator_val_y_2 5.62 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 ALA -6.47 -0.91 0 75 GLU -7.85 -1.98 0 73 GLU -9.00 -2.82 0 46 HIS -1.66 2.73 0 10 GLU -4.79 -0.87 1 13 THR -2.99 -1.29 1 14 LEU 1.06 1.66 1 15 ILE 2.83 2.97 1 16 LYS -2.41 0.25 1 17 ALA 0.58 -0.12 1 18 ILE 2.67 2.17 1 19 ASP 0.92 -0.39 1 21 ASP -1.28 -2.72 1 22 THR -0.55 -0.11 1 23 VAL -5.57 -2.15 1 24 LYS -1.83 -0.29 1 25 LEU -5.18 -1.97 1 26 MET 0.64 -0.72 1 27 TYR -4.17 -1.09 1 28 LYS 4.69 1.24 1 30 GLN -3.96 -1.28 1 32 MET -3.60 0.55 1 33 THR 3.31 1.98 1 34 PHE -3.33 -0.44 1 35 ARG -5.40 -3.59 1 36 LEU 0.93 0.35 1 37 LEU -1.48 0.61 1 38 LEU 3.62 1.92 1 39 VAL -5.42 -3.16 1 40 ASP -2.93 -0.87 1 41 THR 0.89 -0.80 1 43 GLU -1.36 -0.22 1 44 THR 0.82 0.55 1 45 LYS 0.25 0.10 1 48 LYS 0.27 0.51 1 49 LYS 0.64 0.56 1 51 VAL 0.39 0.13 1 52 GLU -0.21 0.01 1 53 LYS 2.45 1.89 1 54 TYR 4.93 3.12 1 57 GLU 4.26 3.33 1 58 ALA 4.22 3.34 1 59 SER 4.66 3.63 1 60 ALA 3.29 2.51 1 61 PHE 3.87 4.15 1 62 THR 7.28 5.73 1 63 LYS 3.93 4.02 1 64 LYS 4.26 3.09 1 65 MET 4.81 4.30 1 66 VAL 3.48 1.99 1 67 GLU 3.25 2.56 1 68 ASN 0.04 0.18 1 69 ALA -1.54 -1.12 1 70 LYS 2.54 1.54 1 71 LYS -3.03 -0.71 1 72 ILE -2.09 -2.52 1 74 VAL -4.44 -2.56 1 76 PHE 1.35 1.82 1 77 ASP -5.06 -2.55 1 78 LYS 0.80 1.03 1 80 GLN 1.17 1.42 1 81 ARG 1.00 2.34 1 82 THR -6.30 -3.63 1 83 ASP -3.05 -2.27 1 84 LYS 3.41 1.99 1 85 TYR -0.21 -0.91 1 87 ARG 0.80 -0.24 1 89 LEU -2.02 -2.17 1 90 ALA -6.81 -1.82 1 91 TYR 0.44 -0.68 1 92 ILE -2.71 -2.43 1 93 TYR -4.21 -1.53 1 94 ALA -4.61 -2.64 1 95 ASP 3.81 2.24 1 97 LYS -1.80 -1.89 1 98 MET -0.64 0.77 1 99 VAL 4.10 3.60 1 100 ASN 7.67 3.77 1 101 GLU 1.12 2.41 1 102 ALA 3.55 2.77 1 103 LEU 0.43 2.96 1 104 VAL 3.77 2.91 1 105 ARG 3.41 1.07 1 106 GLN -0.77 -1.84 1 108 LEU -2.58 -1.71 1 109 ALA -7.13 -1.96 1 110 LYS -4.25 -1.97 1 111 VAL 2.40 0.91 1 112 ALA -3.81 -1.18 1 113 TYR -0.00 -1.24 1 114 VAL -0.09 0.50 1 115 TYR -1.64 -0.96 1 116 LYS 2.79 1.64 1 118 ASN -1.15 -1.69 1 119 ASN -1.43 -1.14 1 120 THR -1.66 -1.70 1 121 HIS 4.95 4.84 1 122 GLU 6.01 3.99 1 123 GLN 3.23 3.15 1 124 LEU 4.92 3.50 1 125 LEU 5.70 4.00 1 126 ARG 4.58 3.50 1 127 LYS 3.86 2.54 1 128 ALA 1.17 2.54 1 129 GLU 3.69 2.36 1 130 ALA 4.26 2.96 1 131 GLN 3.80 3.26 1 132 ALA 4.05 3.37 1 133 LYS 4.02 3.01 1 134 LYS -0.08 -0.04 1 135 GLU 4.66 0.66 1 136 LYS -1.74 0.00 1 137 LEU 3.51 3.36 1 138 ASN 6.16 4.55 1 139 ILE -2.84 -2.46 1 140 TRP 0.93 1.55 1 141 SER -0.91 -0.55 1 142 GLU 0.53 0.47 1 143 ASP -0.03 0.14 1 144 ASN 0.39 0.54 1 145 ALA 0.11 0.05 1 146 ASP 0.20 0.39 1 147 SER 0.52 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18013_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 5.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _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 7.66 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 ALA -6.47 5.56 0 75 GLU -7.85 5.87 0 73 GLU -9.00 6.18 0 46 HIS -1.66 4.39 0 10 GLU -4.79 3.92 1 13 THR -2.99 1.70 1 14 LEU 1.06 0.60 1 15 ILE 2.83 0.14 1 16 LYS -2.41 2.66 1 17 ALA 0.58 -0.70 1 18 ILE 2.67 -0.50 1 19 ASP 0.92 -1.31 1 21 ASP -1.28 -1.44 1 22 THR -0.55 0.44 1 23 VAL -5.57 3.42 1 24 LYS -1.83 1.54 1 25 LEU -5.18 3.21 1 26 MET 0.64 -1.36 1 27 TYR -4.17 3.08 1 28 LYS 4.69 -3.45 1 30 GLN -3.96 2.68 1 32 MET -3.60 4.15 1 33 THR 3.31 -1.33 1 34 PHE -3.33 2.89 1 35 ARG -5.40 1.81 1 36 LEU 0.93 -0.58 1 37 LEU -1.48 2.09 1 38 LEU 3.62 -1.70 1 39 VAL -5.42 2.26 1 40 ASP -2.93 2.06 1 41 THR 0.89 -1.69 1 43 GLU -1.36 1.14 1 44 THR 0.82 -0.27 1 45 LYS 0.25 -0.15 1 48 LYS 0.27 0.24 1 49 LYS 0.64 -0.08 1 51 VAL 0.39 -0.26 1 52 GLU -0.21 0.22 1 53 LYS 2.45 -0.56 1 54 TYR 4.93 -1.81 1 57 GLU 4.26 -0.93 1 58 ALA 4.22 -0.88 1 59 SER 4.66 -1.03 1 60 ALA 3.29 -0.78 1 61 PHE 3.87 0.28 1 62 THR 7.28 -1.55 1 63 LYS 3.93 0.09 1 64 LYS 4.26 -1.17 1 65 MET 4.81 -0.51 1 66 VAL 3.48 -1.49 1 67 GLU 3.25 -0.69 1 68 ASN 0.04 0.14 1 69 ALA -1.54 0.42 1 70 LYS 2.54 -1.00 1 71 LYS -3.03 2.32 1 72 ILE -2.09 -0.43 1 74 VAL -4.44 1.88 1 76 PHE 1.35 0.47 1 77 ASP -5.06 2.51 1 78 LYS 0.80 0.23 1 80 GLN 1.17 0.25 1 81 ARG 1.00 1.34 1 82 THR -6.30 2.67 1 83 ASP -3.05 0.78 1 84 LYS 3.41 -1.42 1 85 TYR -0.21 -0.70 1 87 ARG 0.80 -1.04 1 89 LEU -2.02 -0.15 1 90 ALA -6.81 4.99 1 91 TYR 0.44 -1.12 1 92 ILE -2.71 0.28 1 93 TYR -4.21 2.68 1 94 ALA -4.61 1.97 1 95 ASP 3.81 -1.57 1 97 LYS -1.80 -0.09 1 98 MET -0.64 1.41 1 99 VAL 4.10 -0.50 1 100 ASN 7.67 -3.90 1 101 GLU 1.12 1.29 1 102 ALA 3.55 -0.78 1 103 LEU 0.43 2.53 1 104 VAL 3.77 -0.86 1 105 ARG 3.41 -2.34 1 106 GLN -0.77 -1.07 1 108 LEU -2.58 0.87 1 109 ALA -7.13 5.17 1 110 LYS -4.25 2.28 1 111 VAL 2.40 -1.49 1 112 ALA -3.81 2.63 1 113 TYR -0.00 -1.24 1 114 VAL -0.09 0.59 1 115 TYR -1.64 0.68 1 116 LYS 2.79 -1.15 1 118 ASN -1.15 -0.54 1 119 ASN -1.43 0.29 1 120 THR -1.66 -0.04 1 121 HIS 4.95 -0.11 1 122 GLU 6.01 -2.02 1 123 GLN 3.23 -0.08 1 124 LEU 4.92 -1.42 1 125 LEU 5.70 -1.70 1 126 ARG 4.58 -1.08 1 127 LYS 3.86 -1.32 1 128 ALA 1.17 1.37 1 129 GLU 3.69 -1.33 1 130 ALA 4.26 -1.30 1 131 GLN 3.80 -0.54 1 132 ALA 4.05 -0.68 1 133 LYS 4.02 -1.01 1 134 LYS -0.08 0.04 1 135 GLU 4.66 -4.00 1 136 LYS -1.74 1.74 1 137 LEU 3.51 -0.15 1 138 ASN 6.16 -1.61 1 139 ILE -2.84 0.38 1 140 TRP 0.93 0.62 1 141 SER -0.91 0.36 1 142 GLU 0.53 -0.06 1 143 ASP -0.03 0.17 1 144 ASN 0.39 0.15 1 145 ALA 0.11 -0.06 1 146 ASP 0.20 0.19 1 147 SER 0.52 0.95 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18013_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 0.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.66 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 THR -0.55 1.32 0 10 GLU -4.79 0.47 1 12 ALA -6.47 0.73 1 13 THR -2.99 0.40 1 14 LEU 1.06 -0.17 1 15 ILE 2.83 0.11 1 16 LYS -2.41 0.16 1 17 ALA 0.58 0.19 1 18 ILE 2.67 -0.03 1 19 ASP 0.92 0.05 1 21 ASP -1.28 0.35 1 23 VAL -5.57 0.56 1 24 LYS -1.83 1.15 1 25 LEU -5.18 0.92 1 26 MET 0.64 0.42 1 27 TYR -4.17 0.54 1 28 LYS 4.69 -0.69 1 30 GLN -3.96 0.43 1 32 MET -3.60 0.22 1 33 THR 3.31 0.26 1 34 PHE -3.33 0.45 1 35 ARG -5.40 0.97 1 36 LEU 0.93 0.09 1 37 LEU -1.48 -0.34 1 38 LEU 3.62 -0.13 1 39 VAL -5.42 1.11 1 40 ASP -2.93 0.46 1 41 THR 0.89 0.22 1 43 GLU -1.36 0.08 1 44 THR 0.82 0.02 1 45 LYS 0.25 0.09 1 46 HIS -1.66 -0.60 1 48 LYS 0.27 0.10 1 49 LYS 0.64 0.00 1 51 VAL 0.39 0.10 1 52 GLU -0.21 -0.04 1 53 LYS 2.45 -0.28 1 54 TYR 4.93 -0.09 1 57 GLU 4.26 -0.15 1 58 ALA 4.22 -0.10 1 59 SER 4.66 -0.68 1 60 ALA 3.29 -0.22 1 61 PHE 3.87 -0.54 1 62 THR 7.28 -0.75 1 63 LYS 3.93 -0.72 1 64 LYS 4.26 -0.32 1 65 MET 4.81 -0.53 1 66 VAL 3.48 0.06 1 67 GLU 3.25 -0.36 1 68 ASN 0.04 -0.02 1 69 ALA -1.54 0.24 1 70 LYS 2.54 0.10 1 71 LYS -3.03 0.38 1 72 ILE -2.09 1.14 1 73 GLU -9.00 0.96 1 74 VAL -4.44 0.60 1 75 GLU -7.85 0.83 1 76 PHE 1.35 0.18 1 77 ASP -5.06 0.68 1 78 LYS 0.80 0.08 1 80 GLN 1.17 -0.09 1 81 ARG 1.00 0.30 1 82 THR -6.30 1.24 1 83 ASP -3.05 0.00 1 84 LYS 3.41 -0.20 1 85 TYR -0.21 0.11 1 87 ARG 0.80 0.12 1 89 LEU -2.02 0.78 1 90 ALA -6.81 0.56 1 91 TYR 0.44 0.07 1 92 ILE -2.71 0.81 1 93 TYR -4.21 0.58 1 94 ALA -4.61 0.69 1 95 ASP 3.81 -0.19 1 97 LYS -1.80 0.34 1 98 MET -0.64 -0.58 1 99 VAL 4.10 -0.35 1 100 ASN 7.67 -0.64 1 101 GLU 1.12 -0.68 1 102 ALA 3.55 -0.12 1 103 LEU 0.43 -0.99 1 104 VAL 3.77 -0.21 1 105 ARG 3.41 -0.12 1 106 GLN -0.77 0.02 1 108 LEU -2.58 0.04 1 109 ALA -7.13 0.12 1 110 LYS -4.25 0.82 1 111 VAL 2.40 0.49 1 112 ALA -3.81 0.16 1 113 TYR -0.00 0.10 1 114 VAL -0.09 -0.19 1 115 TYR -1.64 0.12 1 116 LYS 2.79 -0.35 1 118 ASN -1.15 0.52 1 119 ASN -1.43 0.22 1 120 THR -1.66 0.77 1 121 HIS 4.95 -0.56 1 122 GLU 6.01 -0.29 1 123 GLN 3.23 -0.22 1 124 LEU 4.92 -0.23 1 125 LEU 5.70 -0.23 1 126 ARG 4.58 -0.15 1 127 LYS 3.86 -0.04 1 128 ALA 1.17 -0.43 1 129 GLU 3.69 -0.42 1 130 ALA 4.26 -0.31 1 131 GLN 3.80 -0.34 1 132 ALA 4.05 -0.86 1 133 LYS 4.02 -0.31 1 134 LYS -0.08 -0.26 1 135 GLU 4.66 -0.72 1 136 LYS -1.74 -0.11 1 137 LEU 3.51 -0.76 1 138 ASN 6.16 -0.80 1 139 ILE -2.84 0.27 1 140 TRP 0.93 -0.18 1 141 SER -0.91 0.14 1 142 GLU 0.53 0.03 1 143 ASP -0.03 0.08 1 144 ASN 0.39 0.04 1 145 ALA 0.11 0.07 1 146 ASP 0.20 0.03 1 147 SER 0.52 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18013_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 -2.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 7.66 _LACS_plot.Line_2_terminator_val_y_2 2.10 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 LEU 3.62 -2.69 0 104 VAL 3.77 4.17 0 119 ASN -1.43 3.10 0 132 ALA 4.05 4.29 0 73 GLU -9.00 -1.54 0 108 LEU -2.58 -4.59 0 100 ASN 7.67 -0.94 0 63 LYS 3.93 -2.94 0 12 ALA -6.47 -2.24 1 13 THR -2.99 -0.57 1 15 ILE 2.83 -0.46 1 16 LYS -2.41 -2.43 1 17 ALA 0.58 -2.08 1 18 ILE 2.67 -1.08 1 19 ASP 0.92 0.69 1 21 ASP -1.28 -1.34 1 22 THR -0.55 -0.48 1 23 VAL -5.57 -4.08 1 24 LYS -1.83 -1.32 1 25 LEU -5.18 -2.97 1 26 MET 0.64 -1.05 1 27 TYR -4.17 -1.96 1 28 LYS 4.69 0.42 1 32 MET -3.60 -1.90 1 33 THR 3.31 -1.71 1 34 PHE -3.33 -1.82 1 35 ARG -5.40 -0.99 1 37 LEU -1.48 -2.44 1 39 VAL -5.42 -1.83 1 40 ASP -2.93 0.06 1 43 GLU -1.36 -0.13 1 44 THR 0.82 0.08 1 45 LYS 0.25 -0.44 1 48 LYS 0.27 0.18 1 49 LYS 0.64 -0.06 1 54 TYR 4.93 0.48 1 57 GLU 4.26 2.74 1 58 ALA 4.22 1.05 1 59 SER 4.66 -0.45 1 60 ALA 3.29 1.39 1 61 PHE 3.87 2.32 1 62 THR 7.28 -0.46 1 64 LYS 4.26 2.28 1 65 MET 4.81 2.92 1 66 VAL 3.48 1.32 1 67 GLU 3.25 1.44 1 68 ASN 0.04 -0.62 1 69 ALA -1.54 0.11 1 70 LYS 2.54 1.28 1 71 LYS -3.03 -1.76 1 72 ILE -2.09 -0.91 1 74 VAL -4.44 -1.91 1 75 GLU -7.85 -0.92 1 76 PHE 1.35 -0.34 1 77 ASP -5.06 0.88 1 78 LYS 0.80 0.75 1 81 ARG 1.00 -0.22 1 82 THR -6.30 0.21 1 83 ASP -3.05 2.33 1 84 LYS 3.41 -0.11 1 85 TYR -0.21 0.28 1 89 LEU -2.02 -2.70 1 93 TYR -4.21 -1.87 1 94 ALA -4.61 -2.00 1 95 ASP 3.81 -0.06 1 97 LYS -1.80 -0.57 1 98 MET -0.64 1.31 1 99 VAL 4.10 1.03 1 101 GLU 1.12 -0.35 1 102 ALA 3.55 1.74 1 103 LEU 0.43 1.13 1 105 ARG 3.41 -0.34 1 106 GLN -0.77 -0.18 1 109 ALA -7.13 -2.92 1 110 LYS -4.25 -0.90 1 111 VAL 2.40 0.27 1 112 ALA -3.81 -2.70 1 113 TYR -0.00 -1.04 1 115 TYR -1.64 -0.45 1 118 ASN -1.15 -1.07 1 120 THR -1.66 0.62 1 121 HIS 4.95 0.93 1 122 GLU 6.01 2.66 1 123 GLN 3.23 2.28 1 124 LEU 4.92 1.20 1 125 LEU 5.70 3.54 1 126 ARG 1.17 0.96 1 129 GLU 3.69 3.33 1 130 ALA 4.26 1.39 1 131 GLN 3.80 1.81 1 133 LYS 4.02 2.13 1 134 LYS -0.08 -1.93 1 135 GLU 4.66 -1.45 1 136 LYS -1.74 1.06 1 137 LEU 3.51 1.35 1 138 ASN 6.16 -0.93 1 139 ILE -2.84 0.18 1 140 TRP 0.93 0.67 1 141 SER -0.91 -0.35 1 142 GLU 0.53 -0.20 1 143 ASP -0.03 0.09 1 144 ASN 0.39 -0.06 1 145 ALA 0.11 0.16 1 146 ASP 0.20 0.67 1 stop_ save_