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 bmr16942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 -3.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.69 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 3.82 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 LYS -5.06 -6.04 0 114 LYS -6.45 -6.47 0 115 TRP -6.80 0.43 0 10 ASN -1.05 -0.34 1 11 THR -1.01 -1.46 1 12 SER -1.61 -1.69 1 13 HIS 0.53 2.43 1 14 MET -3.76 -1.78 1 15 LYS 3.16 2.20 1 17 MET -0.91 1.74 1 18 LYS 4.41 2.83 1 20 ALA -1.22 -0.06 1 21 GLU -0.13 -0.07 1 22 ALA -7.59 -2.07 1 23 THR -2.69 -0.91 1 24 VAL 2.38 1.76 1 25 THR 0.49 -0.28 1 27 ALA -5.12 -0.97 1 28 TYR -3.12 -1.02 1 29 ASP 0.97 -0.33 1 30 THR -0.65 -2.99 1 31 THR 0.75 0.30 1 32 ALA -4.35 -2.66 1 33 TYR -2.54 -0.81 1 34 VAL 0.08 -0.98 1 35 VAL -7.19 -3.78 1 36 SER -2.28 -0.53 1 37 TYR -4.39 -1.38 1 38 THR 0.28 0.08 1 40 THR 3.09 2.13 1 41 ASN 0.66 -0.67 1 44 GLN 0.05 0.10 1 45 ARG 1.95 1.62 1 46 VAL 1.42 -0.01 1 47 ASP -3.16 -1.18 1 48 HIS 3.44 0.56 1 49 HIS 1.52 3.68 1 51 TRP -4.92 1.08 1 52 VAL -3.46 -1.15 1 53 ILE -3.00 -1.42 1 54 GLN 5.73 4.58 1 55 GLU 4.03 2.86 1 56 GLU -1.91 -1.01 1 57 ILE -0.03 -0.44 1 58 LYS 2.15 1.88 1 59 ASP 3.63 1.72 1 60 ALA 1.74 1.98 1 62 ASP -0.89 -1.15 1 63 LYS -0.07 0.30 1 64 THR 1.84 0.64 1 65 LEU 1.05 -0.15 1 66 GLN -2.61 -1.27 1 69 ASP 1.97 1.53 1 70 GLN -2.12 -1.50 1 71 VAL -6.86 -3.91 1 72 ILE -1.90 -2.49 1 73 LEU -0.46 -0.47 1 74 GLU -1.86 -1.24 1 75 ALA -3.37 -1.07 1 76 SER -2.93 -3.31 1 77 HIS -0.75 1.93 1 78 MET -6.16 -2.18 1 79 LYS 3.45 2.18 1 81 MET -1.04 2.67 1 82 LYS 4.47 3.14 1 84 ALA -1.14 0.03 1 85 THR 1.60 0.88 1 86 ALA -7.79 -3.18 1 87 GLU -5.59 -2.58 1 88 ILE 1.29 -1.47 1 89 ASP 1.12 2.21 1 90 SER -0.41 -0.17 1 91 ALA -7.36 -1.30 1 92 GLU -4.47 -1.30 1 93 LYS 1.75 -0.15 1 94 THR -0.73 -2.39 1 95 THR 0.46 0.30 1 96 VAL -3.34 -2.84 1 97 TYR -2.54 -1.08 1 98 MET -5.29 -1.91 1 99 VAL -7.44 -4.09 1 100 ASP -2.62 -1.93 1 101 TYR -5.35 -1.69 1 102 THR 0.10 -0.52 1 103 SER -0.24 -0.67 1 104 THR 3.21 1.90 1 105 THR 2.28 0.56 1 106 SER -2.73 -0.80 1 108 GLU -1.45 -0.68 1 109 LYS 1.26 -0.52 1 110 VAL 1.62 0.24 1 111 LYS -3.49 -2.28 1 112 ASN 2.59 0.46 1 113 HIS 2.72 4.60 1 116 VAL -4.61 -2.25 1 117 THR -2.35 -1.22 1 118 GLU 2.64 3.65 1 119 ASP 1.74 1.51 1 120 GLU -0.81 -0.10 1 121 LEU -5.53 -1.98 1 122 SER -3.15 -1.41 1 123 ALA 0.33 0.22 1 124 LYS 0.35 0.20 1 125 LEU -0.32 -0.33 1 126 GLU -0.89 -0.33 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 4.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.54 _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 5.72 _LACS_plot.Line_2_terminator_val_y_2 -1.90 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 LYS -5.06 -0.98 0 114 LYS -6.45 -0.02 0 115 TRP -6.80 7.23 0 10 ASN -1.05 0.71 1 11 THR -1.01 -0.45 1 12 SER -1.61 -0.08 1 13 HIS 0.53 1.90 1 14 MET -3.76 1.98 1 15 LYS 3.16 -0.96 1 17 MET -0.91 2.65 1 18 LYS 4.41 -1.58 1 20 ALA -1.22 1.16 1 21 GLU -0.13 0.06 1 22 ALA -7.59 5.52 1 23 THR -2.69 1.78 1 24 VAL 2.38 -0.62 1 25 THR 0.49 -0.77 1 27 ALA -5.12 4.15 1 28 TYR -3.12 2.10 1 29 ASP 0.97 -1.30 1 30 THR -0.65 -2.34 1 31 THR 0.75 -0.45 1 32 ALA -4.35 1.69 1 33 TYR -2.54 1.73 1 34 VAL 0.08 -1.06 1 35 VAL -7.19 3.41 1 36 SER -2.28 1.75 1 37 TYR -4.39 3.01 1 38 THR 0.28 -0.20 1 40 THR 3.09 -0.96 1 41 ASN 0.66 -1.33 1 44 GLN 0.05 0.05 1 45 ARG 1.95 -0.33 1 46 VAL 1.42 -1.43 1 47 ASP -3.16 1.98 1 48 HIS 3.44 -2.88 1 49 HIS 1.52 2.16 1 51 TRP -4.92 6.00 1 52 VAL -3.46 2.31 1 53 ILE -3.00 1.58 1 54 GLN 5.73 -1.15 1 55 GLU 4.03 -1.17 1 56 GLU -1.91 0.90 1 57 ILE -0.03 -0.41 1 58 LYS 2.15 -0.27 1 59 ASP 3.63 -1.91 1 60 ALA 1.74 0.24 1 62 ASP -0.89 -0.26 1 63 LYS -0.07 0.37 1 64 THR 1.84 -1.20 1 65 LEU 1.05 -1.20 1 66 GLN -2.61 1.34 1 69 ASP 1.97 -0.44 1 70 GLN -2.12 0.62 1 71 VAL -6.86 2.95 1 72 ILE -1.90 -0.59 1 73 LEU -0.46 -0.01 1 74 GLU -1.86 0.62 1 75 ALA -3.37 2.30 1 76 SER -2.93 -0.38 1 77 HIS -0.75 2.68 1 78 MET -6.16 3.98 1 79 LYS 3.45 -1.27 1 81 MET -1.04 3.71 1 82 LYS 4.47 -1.33 1 84 ALA -1.14 1.17 1 85 THR 1.60 -0.72 1 86 ALA -7.79 4.61 1 87 GLU -5.59 3.01 1 88 ILE 1.29 -2.76 1 89 ASP 1.12 1.09 1 90 SER -0.41 0.24 1 91 ALA -7.36 6.06 1 92 GLU -4.47 3.17 1 93 LYS 1.75 -1.90 1 94 THR -0.73 -1.66 1 95 THR 0.46 -0.16 1 96 VAL -3.34 0.50 1 97 TYR -2.54 1.46 1 98 MET -5.29 3.38 1 99 VAL -7.44 3.35 1 100 ASP -2.62 0.69 1 101 TYR -5.35 3.66 1 102 THR 0.10 -0.62 1 103 SER -0.24 -0.43 1 104 THR 3.21 -1.31 1 105 THR 2.28 -1.72 1 106 SER -2.73 1.93 1 108 GLU -1.45 0.77 1 109 LYS 1.26 -1.78 1 110 VAL 1.62 -1.38 1 111 LYS -3.49 1.21 1 112 ASN 2.59 -2.13 1 113 HIS 2.72 1.88 1 116 VAL -4.61 2.36 1 117 THR -2.35 1.13 1 118 GLU 2.64 1.01 1 119 ASP 1.74 -0.23 1 120 GLU -0.81 0.71 1 121 LEU -5.53 3.55 1 122 SER -3.15 1.74 1 123 ALA 0.33 -0.11 1 124 LYS 0.35 -0.15 1 125 LEU -0.32 -0.01 1 126 GLU -0.89 0.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 1.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 114 LYS -6.45 -0.68 0 10 ASN -1.05 0.25 1 11 THR -1.01 0.17 1 12 SER -1.61 0.29 1 13 HIS 0.53 -0.12 1 14 MET -3.76 0.25 1 15 LYS 3.16 -0.26 1 17 MET -0.91 -0.50 1 18 LYS 4.41 -0.54 1 20 ALA -1.22 -0.11 1 21 GLU -0.13 0.30 1 22 ALA -7.59 1.25 1 23 THR -2.69 0.81 1 24 VAL 2.38 0.17 1 25 THR 0.49 0.31 1 27 ALA -5.12 0.79 1 28 TYR -3.12 -0.07 1 29 ASP 0.97 0.20 1 30 THR -0.65 0.34 1 31 THR 0.75 0.16 1 32 ALA -4.35 0.28 1 33 TYR -2.54 1.03 1 34 VAL 0.08 0.63 1 35 VAL -7.19 1.47 1 36 SER -2.28 1.16 1 37 TYR -4.39 0.68 1 38 THR 0.28 -0.03 1 40 THR 3.09 -0.25 1 41 ASN 0.66 0.06 1 44 GLN 0.05 -0.27 1 45 ARG 1.95 -0.43 1 46 VAL 1.42 -0.37 1 47 ASP -3.16 0.11 1 48 HIS 3.44 -0.94 1 49 HIS 1.52 -0.57 1 50 LYS -5.06 -0.58 1 51 TRP -4.92 0.34 1 52 VAL -3.46 1.13 1 53 ILE -3.00 1.45 1 54 GLN 5.73 -0.54 1 55 GLU 4.03 -0.19 1 56 GLU -1.91 -0.08 1 57 ILE -0.03 0.02 1 58 LYS 2.15 -0.37 1 59 ASP 3.63 -0.30 1 60 ALA 1.74 -0.33 1 62 ASP -0.89 0.10 1 63 LYS -0.07 -0.09 1 64 THR 1.84 0.02 1 65 LEU 1.05 0.01 1 66 GLN -2.61 0.10 1 69 ASP 1.97 -0.10 1 70 GLN -2.12 1.04 1 71 VAL -6.86 0.63 1 72 ILE -1.90 0.68 1 73 LEU -0.46 0.08 1 74 GLU -1.86 0.24 1 75 ALA -3.37 -0.09 1 76 SER -2.93 0.47 1 77 HIS -0.75 -0.20 1 78 MET -6.16 0.28 1 79 LYS 3.45 -0.24 1 81 MET -1.04 -0.75 1 82 LYS 4.47 -0.61 1 84 ALA -1.14 -0.13 1 85 THR 1.60 0.40 1 86 ALA -7.79 1.04 1 87 GLU -5.59 0.83 1 88 ILE 1.29 -0.12 1 89 ASP 1.12 0.30 1 90 SER -0.41 0.04 1 91 ALA -7.36 0.80 1 92 GLU -4.47 0.15 1 93 LYS 1.75 0.26 1 94 THR -0.73 0.24 1 95 THR 0.46 0.49 1 96 VAL -3.34 0.25 1 97 TYR -2.54 1.04 1 98 MET -5.29 1.03 1 99 VAL -7.44 1.52 1 100 ASP -2.62 1.06 1 101 TYR -5.35 0.95 1 102 THR 0.10 0.35 1 103 SER -0.24 0.24 1 104 THR 3.21 -0.17 1 105 THR 2.28 0.05 1 106 SER -2.73 0.23 1 108 GLU -1.45 -0.18 1 109 LYS 1.26 0.14 1 110 VAL 1.62 -0.33 1 111 LYS -3.49 0.41 1 112 ASN 2.59 -0.77 1 113 HIS 2.72 -0.68 1 115 TRP -6.80 0.34 1 116 VAL -4.61 1.29 1 117 THR -2.35 0.54 1 118 GLU 2.64 -0.47 1 119 ASP 1.74 -0.05 1 120 GLU -0.81 -0.04 1 121 LEU -5.53 0.82 1 122 SER -3.15 0.28 1 123 ALA 0.33 -0.02 1 124 LYS 0.35 -0.11 1 125 LEU -0.32 0.02 1 126 GLU -0.89 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 -1.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 0.71 _LACS_plot.Y_axis_chem_shift_offset 0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 SER -0.24 3.74 0 10 ASN -1.05 -0.38 1 11 THR -1.01 -2.89 1 14 MET -3.76 -0.46 1 17 MET -0.91 -0.68 1 18 LYS 4.41 1.42 1 20 ALA -1.22 -0.58 1 21 GLU -0.13 -0.06 1 22 ALA -7.59 -1.78 1 23 THR -2.69 -0.14 1 24 VAL 2.38 0.75 1 25 THR 0.49 0.64 1 27 ALA -5.12 -2.47 1 28 TYR -3.12 -2.46 1 29 ASP 0.97 -1.23 1 30 THR -0.65 -1.86 1 31 THR 0.75 -3.67 1 32 ALA -4.35 -2.98 1 33 TYR -2.54 -0.13 1 34 VAL 0.08 1.09 1 35 VAL -7.19 -1.74 1 36 SER -2.28 -0.90 1 37 TYR -4.39 -4.01 1 38 THR 0.28 -1.22 1 40 THR 3.09 0.69 1 41 ASN 0.66 0.73 1 44 GLN 0.05 -0.67 1 45 ARG 1.95 -1.05 1 46 VAL 1.42 -2.52 1 47 ASP -3.16 -0.54 1 48 HIS 3.44 -0.14 1 49 HIS 1.52 -0.32 1 50 LYS -5.06 -0.32 1 51 TRP -4.92 -0.68 1 52 VAL -3.46 -0.80 1 53 ILE -3.00 1.34 1 54 GLN 5.73 1.22 1 55 GLU 4.03 0.54 1 56 GLU -1.91 -2.64 1 57 ILE -0.03 -0.90 1 58 LYS 2.15 0.19 1 59 ASP 3.63 -0.45 1 60 ALA 1.74 0.97 1 62 ASP -0.89 0.15 1 63 LYS -0.07 0.11 1 64 THR 1.84 -0.14 1 65 LEU 1.05 -2.27 1 66 GLN -2.61 -1.22 1 69 ASP 1.97 -1.31 1 70 GLN -2.12 0.45 1 71 VAL -6.86 -2.86 1 72 ILE -1.90 -0.21 1 73 LEU -0.46 0.05 1 74 GLU -1.86 -1.10 1 75 ALA -3.37 -3.33 1 76 SER -2.93 0.99 1 77 HIS -0.75 1.68 1 78 MET -6.16 -0.53 1 79 LYS 3.45 2.94 1 81 MET -1.04 -0.97 1 82 LYS 4.47 1.65 1 84 ALA -1.14 -0.58 1 85 THR 1.60 -0.83 1 86 ALA -7.79 -3.05 1 87 GLU -5.59 -0.45 1 88 ILE 1.29 -0.26 1 89 ASP 1.12 -0.15 1 90 SER -0.41 -3.48 1 91 ALA -7.36 -1.01 1 92 GLU -4.47 -2.47 1 93 LYS 1.75 -1.01 1 94 THR -0.73 -2.55 1 95 THR 0.46 -1.60 1 96 VAL -3.34 -2.77 1 97 TYR -2.54 0.12 1 98 MET -5.29 0.36 1 99 VAL -7.44 -2.26 1 100 ASP -2.62 0.49 1 101 TYR -5.35 -3.66 1 102 THR 0.10 -0.40 1 104 THR 3.21 1.15 1 105 THR 2.28 1.75 1 106 SER -2.73 1.52 1 108 GLU -1.45 -1.52 1 109 LYS 1.26 -0.88 1 110 VAL 1.62 -1.17 1 111 LYS -3.49 0.19 1 112 ASN 2.59 -1.07 1 113 HIS 2.72 -0.18 1 114 LYS -6.45 -0.67 1 115 TRP -6.80 -1.28 1 116 VAL -4.61 -0.82 1 118 GLU 2.64 0.71 1 119 ASP 1.74 0.92 1 120 GLU -0.81 -2.39 1 121 LEU -5.53 -1.49 1 122 SER -3.15 -1.33 1 123 ALA 0.33 -0.41 1 124 LYS 0.35 -0.58 1 125 LEU -0.32 -0.55 1 126 GLU -0.89 -0.58 1 stop_ save_