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 bmr34184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 -3.65 _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 -1.17 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 4.50 _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 98 HIS -7.53 0.42 0 10 VAL -0.01 0.00 1 11 ASP -0.15 0.00 1 12 VAL 0.89 0.35 1 15 GLN -0.11 -0.01 1 16 HIS -2.03 0.66 1 17 GLU -5.89 -2.34 1 18 TRP 4.94 4.24 1 20 GLU -2.44 -0.66 1 21 LEU -0.54 -1.20 1 22 VAL -6.98 -4.18 1 23 GLN -1.07 -0.60 1 24 LEU 0.30 1.35 1 25 ASP 2.47 0.99 1 27 GLN -1.93 -0.17 1 28 THR 1.82 1.85 1 29 VAL -5.52 -3.97 1 31 VAL -6.79 -4.81 1 32 ILE 3.56 2.85 1 33 VAL -2.05 -1.67 1 34 ARG -1.52 2.16 1 35 LEU 2.02 1.56 1 36 GLU -3.84 -2.05 1 37 ARG 5.15 4.45 1 38 GLU -3.39 -1.10 1 39 THR -6.50 -2.84 1 40 PHE -6.15 -2.73 1 41 GLN -1.05 -0.77 1 42 VAL -4.21 -2.27 1 43 LEU -3.20 -1.68 1 44 ASN -1.80 -1.53 1 45 MET 4.02 1.95 1 46 TYR 0.15 -0.82 1 48 LYS -2.99 -2.18 1 49 VAL 1.12 -0.26 1 50 VAL -4.77 -2.99 1 51 THR 0.89 0.62 1 52 VAL -6.33 -3.75 1 53 ARG 1.24 0.62 1 54 HIS 0.81 2.98 1 55 GLN 2.98 1.66 1 56 ALA -0.78 -0.03 1 57 VAL -4.71 -3.17 1 58 THR -3.01 -1.40 1 59 ARG 1.61 1.57 1 60 LYS -1.72 -1.49 1 62 ASP 2.22 0.54 1 64 ARG 2.54 1.39 1 65 PHE 0.80 -0.51 1 66 ALA -0.71 0.51 1 67 VAL -4.05 -2.08 1 68 ALA -6.08 -2.00 1 69 LEU -4.84 -2.01 1 70 ASP -2.38 -2.35 1 71 SER 2.56 3.17 1 72 GLU -1.31 -1.41 1 73 GLN 6.02 2.10 1 74 ASN -0.45 -0.24 1 75 ASN 0.44 0.40 1 76 ILE -3.83 -1.60 1 77 HIS -4.55 -1.29 1 78 VAL 5.51 4.08 1 79 LYS 6.22 4.02 1 80 ASP 1.50 1.62 1 81 ILE 0.09 -1.81 1 82 VAL -6.85 -4.01 1 83 LYS -3.78 -1.75 1 84 VAL 1.51 -0.14 1 85 ILE -1.31 -0.68 1 86 ASP -3.38 -1.60 1 89 HIS -1.29 0.18 1 90 SER 2.76 2.28 1 92 ARG -0.29 0.67 1 93 GLU -5.36 -1.91 1 95 GLU -6.46 -3.22 1 96 ILE 4.64 2.75 1 97 ARG -0.76 -0.47 1 99 LEU -4.59 -1.09 1 100 PHE -2.20 0.14 1 102 SER 0.72 0.11 1 103 PHE -1.41 0.09 1 104 ALA -6.15 -2.46 1 105 PHE -0.90 -0.50 1 106 LEU -4.38 -1.60 1 107 HIS -5.66 0.79 1 109 LYS 3.12 2.73 1 110 LYS 0.39 0.13 1 111 LEU -2.16 -1.00 1 112 VAL 2.59 2.02 1 113 GLU 0.33 0.61 1 114 ASN 2.93 1.58 1 117 MET -2.35 -2.05 1 118 PHE -1.25 -1.42 1 119 VAL -5.24 -3.19 1 121 LYS 1.87 0.56 1 122 THR 7.14 3.89 1 123 ARG 2.86 0.97 1 124 HIS -3.73 -1.30 1 125 LEU -4.89 -1.83 1 126 VAL -4.37 -0.97 1 127 LEU 1.65 1.94 1 128 ALA -0.90 -0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 3.88 _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 0.83 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -2.64 _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 98 HIS -7.53 7.95 0 10 VAL -0.01 0.01 1 11 ASP -0.15 0.15 1 12 VAL 0.89 -0.54 1 15 GLN -0.11 0.10 1 16 HIS -2.03 2.69 1 17 GLU -5.89 3.55 1 18 TRP 4.94 -0.70 1 20 GLU -2.44 1.78 1 21 LEU -0.54 -0.66 1 22 VAL -6.98 2.80 1 23 GLN -1.07 0.47 1 24 LEU 0.30 1.05 1 25 ASP 2.47 -1.48 1 27 GLN -1.93 1.76 1 28 THR 1.82 0.03 1 29 VAL -5.52 1.55 1 31 VAL -6.79 1.98 1 32 ILE 3.56 -0.71 1 33 VAL -2.05 0.38 1 34 ARG -1.52 3.68 1 35 LEU 2.02 -0.46 1 36 GLU -3.84 1.79 1 37 ARG 5.15 -0.70 1 38 GLU -3.39 2.29 1 39 THR -6.50 3.66 1 40 PHE -6.15 3.42 1 41 GLN -1.05 0.28 1 42 VAL -4.21 1.94 1 43 LEU -3.20 1.52 1 44 ASN -1.80 0.27 1 45 MET 4.02 -2.07 1 46 TYR 0.15 -0.97 1 48 LYS -2.99 0.81 1 49 VAL 1.12 -1.38 1 50 VAL -4.77 1.78 1 51 THR 0.89 -0.27 1 52 VAL -6.33 2.58 1 53 ARG 1.24 -0.62 1 54 HIS 0.81 2.17 1 55 GLN 2.98 -1.32 1 56 ALA -0.78 0.75 1 57 VAL -4.71 1.54 1 58 THR -3.01 1.61 1 59 ARG 1.61 -0.04 1 60 LYS -1.72 0.23 1 62 ASP 2.22 -1.68 1 64 ARG 2.54 -1.15 1 65 PHE 0.80 -1.31 1 66 ALA -0.71 1.22 1 67 VAL -4.05 1.97 1 68 ALA -6.08 4.08 1 69 LEU -4.84 2.83 1 70 ASP -2.38 0.03 1 71 SER 2.56 0.61 1 72 GLU -1.31 -0.10 1 73 GLN 6.02 -3.92 1 74 ASN -0.45 0.21 1 75 ASN 0.44 -0.04 1 76 ILE -3.83 2.23 1 77 HIS -4.55 3.26 1 78 VAL 5.51 -1.43 1 79 LYS 6.22 -2.20 1 80 ASP 1.50 0.12 1 81 ILE 0.09 -1.90 1 82 VAL -6.85 2.84 1 83 LYS -3.78 2.03 1 84 VAL 1.51 -1.65 1 85 ILE -1.31 0.63 1 86 ASP -3.38 1.78 1 89 HIS -1.29 1.47 1 90 SER 2.76 -0.48 1 92 ARG -0.29 0.96 1 93 GLU -5.36 3.45 1 95 GLU -6.46 3.24 1 96 ILE 4.64 -1.89 1 97 ARG -0.76 0.29 1 99 LEU -4.59 3.50 1 100 PHE -2.20 2.34 1 102 SER 0.72 -0.61 1 103 PHE -1.41 1.50 1 104 ALA -6.15 3.69 1 105 PHE -0.90 0.40 1 106 LEU -4.38 2.78 1 107 HIS -5.66 6.45 1 109 LYS 3.12 -0.39 1 110 LYS 0.39 -0.26 1 111 LEU -2.16 1.16 1 112 VAL 2.59 -0.57 1 113 GLU 0.33 0.28 1 114 ASN 2.93 -1.35 1 117 MET -2.35 0.30 1 118 PHE -1.25 -0.17 1 119 VAL -5.24 2.05 1 121 LYS 1.87 -1.31 1 122 THR 7.14 -3.25 1 123 ARG 2.86 -1.89 1 124 HIS -3.73 2.43 1 125 LEU -4.89 3.06 1 126 VAL -4.37 3.40 1 127 LEU 1.65 0.29 1 128 ALA -0.90 0.73 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 18 TRP 4.94 -1.22 0 117 MET -2.35 1.41 0 10 VAL -0.01 0.01 1 11 ASP -0.15 0.03 1 12 VAL 0.89 0.03 1 15 GLN -0.11 -0.08 1 16 HIS -2.03 0.16 1 17 GLU -5.89 0.28 1 20 GLU -2.44 -0.24 1 21 LEU -0.54 -0.19 1 22 VAL -6.98 0.73 1 23 GLN -1.07 -0.01 1 24 LEU 0.30 0.05 1 25 ASP 2.47 -0.20 1 27 GLN -1.93 0.36 1 28 THR 1.82 0.37 1 29 VAL -5.52 1.05 1 31 VAL -6.79 0.93 1 32 ILE 3.56 -0.50 1 33 VAL -2.05 0.34 1 34 ARG -1.52 0.34 1 35 LEU 2.02 0.60 1 36 GLU -3.84 0.54 1 37 ARG 5.15 -0.27 1 38 GLU -3.39 -0.37 1 39 THR -6.50 0.46 1 40 PHE -6.15 0.97 1 41 GLN -1.05 0.90 1 42 VAL -4.21 0.43 1 43 LEU -3.20 0.36 1 44 ASN -1.80 0.26 1 45 MET 4.02 -0.76 1 46 TYR 0.15 0.04 1 48 LYS -2.99 0.27 1 49 VAL 1.12 0.81 1 50 VAL -4.77 0.55 1 51 THR 0.89 0.78 1 52 VAL -6.33 0.64 1 53 ARG 1.24 -0.01 1 54 HIS 0.81 -0.77 1 55 GLN 2.98 -0.06 1 56 ALA -0.78 0.11 1 57 VAL -4.71 0.71 1 58 THR -3.01 -0.35 1 59 ARG 1.61 -0.10 1 60 LYS -1.72 0.10 1 65 PHE 0.80 0.12 1 66 ALA -0.71 -0.02 1 67 VAL -4.05 0.56 1 68 ALA -6.08 0.31 1 69 LEU -4.84 0.94 1 70 ASP -2.38 0.17 1 71 SER 2.56 -0.25 1 72 GLU -1.31 0.20 1 73 GLN 6.02 -0.73 1 74 ASN -0.45 0.02 1 75 ASN 0.44 0.28 1 76 ILE -3.83 0.59 1 77 HIS -4.55 0.14 1 78 VAL 5.51 -0.86 1 79 LYS 6.22 -0.47 1 80 ASP 1.50 0.12 1 81 ILE 0.09 0.72 1 82 VAL -6.85 1.08 1 83 LYS -3.78 0.64 1 84 VAL 1.51 0.55 1 85 ILE -1.31 0.53 1 86 ASP -3.38 0.08 1 89 HIS -1.29 -0.01 1 90 SER 2.76 -0.99 1 92 ARG -0.29 0.09 1 93 GLU -5.36 1.00 1 95 GLU -6.46 0.78 1 96 ILE 4.64 -0.39 1 97 ARG -0.76 0.03 1 98 HIS -7.53 0.16 1 99 LEU -4.59 0.64 1 100 PHE -2.20 -0.07 1 102 SER 0.72 0.03 1 103 PHE -1.41 0.32 1 104 ALA -6.15 0.73 1 105 PHE -0.90 0.21 1 106 LEU -4.38 0.66 1 107 HIS -5.66 0.79 1 109 LYS 3.12 -0.25 1 110 LYS 0.39 -0.04 1 111 LEU -2.16 0.16 1 112 VAL 2.59 -0.23 1 113 GLU 0.33 -0.13 1 114 ASN 2.93 -0.19 1 118 PHE -1.25 0.14 1 119 VAL -5.24 0.99 1 121 LYS 1.87 0.08 1 122 THR 7.14 -0.72 1 123 ARG 2.86 -0.25 1 124 HIS -3.73 0.14 1 125 LEU -4.89 1.29 1 126 VAL -4.37 0.55 1 127 LEU 1.65 -0.08 1 128 ALA -0.90 0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 -2.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 1.05 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 MET 4.02 -4.77 0 10 VAL -0.01 -0.51 1 11 ASP -0.15 0.23 1 12 VAL 0.89 0.71 1 15 GLN -0.11 -0.34 1 16 HIS -2.03 0.01 1 17 GLU -5.89 -1.90 1 18 TRP 4.94 2.01 1 20 GLU -2.44 -2.40 1 21 LEU -0.54 -1.77 1 22 VAL -6.98 -2.37 1 23 GLN -1.07 0.16 1 24 LEU 0.30 -1.40 1 27 GLN -1.93 0.12 1 28 THR 1.82 -1.21 1 29 VAL -5.52 -1.48 1 31 VAL -6.79 -0.67 1 32 ILE 3.56 -0.49 1 33 VAL -2.05 0.50 1 34 ARG -1.52 -1.86 1 35 LEU 2.02 -2.31 1 36 GLU -3.84 0.23 1 38 GLU -3.39 -0.78 1 39 THR -6.50 -0.86 1 40 PHE -6.15 0.66 1 41 GLN -1.05 0.11 1 42 VAL -4.21 -2.53 1 43 LEU -3.20 -2.36 1 46 TYR 0.15 0.94 1 48 LYS -2.99 -1.69 1 49 VAL 1.12 0.15 1 50 VAL -4.77 -1.68 1 51 THR 0.89 0.25 1 53 ARG 1.24 1.61 1 54 HIS 0.81 3.43 1 55 GLN 2.98 -0.04 1 56 ALA -0.78 -0.78 1 58 THR -3.01 -0.85 1 59 ARG 1.61 -0.67 1 62 ASP 2.22 -1.03 1 64 ARG 2.54 0.16 1 65 PHE 0.80 -0.64 1 66 ALA -0.71 -1.76 1 67 VAL -4.05 -2.39 1 68 ALA -6.08 -3.62 1 69 LEU -4.84 -0.17 1 71 SER 2.56 0.92 1 72 GLU -1.31 -1.22 1 73 GLN 6.02 -0.83 1 74 ASN -0.45 0.56 1 75 ASN 0.44 -0.21 1 76 ILE -3.83 -3.05 1 78 VAL 5.51 0.67 1 79 LYS 6.22 -0.41 1 80 ASP 1.50 -1.04 1 81 ILE 0.09 0.01 1 82 VAL -6.85 -2.27 1 83 LYS -3.78 -1.32 1 84 VAL 1.51 2.49 1 85 ILE -1.31 -1.41 1 86 ASP -3.38 -1.35 1 89 HIS -1.29 -0.26 1 90 SER 2.76 1.04 1 92 ARG -0.29 -2.05 1 93 GLU -5.36 -0.83 1 95 GLU -6.46 0.82 1 96 ILE 4.64 0.30 1 97 ARG -0.76 -1.48 1 98 HIS -7.53 -0.43 1 99 LEU -4.59 -2.76 1 100 PHE -2.20 -2.76 1 102 SER 0.72 -0.97 1 103 PHE -1.41 -2.81 1 104 ALA -6.15 -3.20 1 105 PHE -0.90 -1.27 1 106 LEU -4.38 -4.01 1 107 HIS -5.66 1.02 1 109 LYS 3.12 0.28 1 110 LYS 0.39 -0.83 1 111 LEU -2.16 -2.03 1 112 VAL 2.59 1.39 1 113 GLU 0.33 0.64 1 114 ASN 2.93 0.59 1 117 MET -2.35 -0.12 1 119 VAL -5.24 -2.38 1 121 LYS 1.87 2.87 1 122 THR 7.14 2.00 1 123 ARG 2.86 -0.79 1 124 HIS -3.73 -0.44 1 125 LEU -4.89 0.67 1 126 VAL -4.37 -2.79 1 127 LEU 1.65 -1.36 1 128 ALA -0.90 -1.40 1 stop_ save_