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 bmr6345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -3.90 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 6.94 _LACS_plot.Line_2_terminator_val_y_2 5.13 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 MET 2.08 5.17 0 116 LYS 6.94 2.11 0 120 ASN -4.93 0.86 0 10 GLN 0.10 0.06 1 12 ARG 0.98 1.48 1 13 THR -0.04 1.56 1 14 ILE -1.70 -1.26 1 15 SER 0.63 0.52 1 16 LEU -4.75 -1.97 1 17 PHE -2.35 -0.80 1 18 THR -3.02 -3.10 1 19 ASN 4.14 2.27 1 20 ASP 0.54 0.89 1 21 ILE -0.49 -0.42 1 22 ALA 1.04 1.15 1 23 SER -0.90 0.36 1 24 ASN 1.56 -0.36 1 25 ILE 3.95 2.52 1 26 LYS 5.13 4.50 1 27 SER 4.38 4.31 1 28 GLN 5.36 4.15 1 29 LYS 3.86 3.08 1 31 LEU 3.81 3.12 1 32 GLN 4.42 3.34 1 33 LEU 1.86 2.38 1 34 LEU 2.44 2.84 1 35 LYS 2.39 0.99 1 37 ASP -1.46 0.57 1 38 VAL 0.85 -0.46 1 39 SER 0.65 1.27 1 40 HIS 2.64 1.14 1 41 ARG 0.61 1.46 1 42 PHE -4.10 -2.31 1 43 ASP -3.60 -1.09 1 44 VAL -2.12 -1.04 1 45 GLU -4.70 -2.18 1 46 ILE 1.79 -0.06 1 47 ALA -2.75 -1.49 1 48 ASN -2.23 -0.94 1 49 ARG -4.67 -1.91 1 50 PHE 0.62 1.50 1 52 THR -0.65 0.21 1 53 TRP 6.24 5.09 1 54 ASP 3.94 3.53 1 55 GLN 3.42 3.89 1 56 LEU 3.76 3.52 1 57 GLN 4.45 2.36 1 58 TYR 3.63 4.10 1 60 ARG 3.01 3.44 1 61 THR 0.81 1.86 1 62 SER 1.12 1.85 1 65 GLN 1.30 -0.16 1 68 VAL 4.40 3.26 1 69 SER 3.41 2.86 1 70 LEU 1.59 2.26 1 71 GLN 3.61 2.45 1 72 ARG 3.52 2.88 1 73 GLN -2.48 0.39 1 74 ILE -2.99 -2.99 1 76 LYS 0.47 -1.27 1 77 LEU 5.04 4.01 1 78 ASP 4.36 3.55 1 79 SER 4.27 3.40 1 80 VAL 3.43 2.15 1 81 LEU 2.83 1.66 1 82 LYS -0.21 -0.34 1 83 TYR -1.53 -2.82 1 84 LYS 0.32 0.41 1 85 HIS 3.63 2.84 1 86 THR -0.84 -1.50 1 87 ASP -0.77 2.05 1 89 THR 5.71 5.68 1 90 PHE 3.87 2.51 1 92 MET -0.13 1.19 1 93 ASP -0.22 1.96 1 94 LEU 2.92 3.08 1 95 GLN 5.49 4.08 1 96 LYS 3.87 2.89 1 98 VAL 5.14 4.34 1 99 GLN 4.21 3.15 1 100 ARG -0.77 0.40 1 102 LEU -2.78 -0.31 1 103 TRP -5.13 -1.12 1 104 ASN -1.28 -1.00 1 106 LYS -0.50 -0.79 1 107 GLU -6.65 -3.33 1 108 ALA -5.04 -1.02 1 109 LEU -3.97 -1.03 1 110 TRP -7.73 -4.57 1 111 VAL -3.75 -2.25 1 112 ASP -3.03 -2.58 1 113 TRP 1.44 2.10 1 114 GLU 2.59 3.03 1 115 ASN -0.72 -0.22 1 117 LEU -4.29 -1.33 1 118 VAL -6.38 -3.73 1 121 GLU -0.95 0.11 1 123 ALA 3.01 2.75 1 124 ASP 1.96 2.52 1 125 ILE 6.14 4.06 1 126 ASP 2.74 3.30 1 127 LYS 2.93 3.58 1 128 TYR 0.43 1.18 1 129 ILE 1.89 1.74 1 130 ILE 5.36 1.97 1 131 GLN 1.97 0.56 1 132 ARG 0.44 0.43 1 133 LYS 1.34 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 3.83 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.24 _LACS_plot.Line_2_terminator_val_x_2 6.94 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 MET 2.08 3.09 0 116 LYS 6.94 -4.83 0 120 ASN -4.93 5.79 0 10 GLN 0.10 -0.04 1 12 ARG 0.98 0.50 1 13 THR -0.04 1.60 1 14 ILE -1.70 0.44 1 15 SER 0.63 -0.11 1 16 LEU -4.75 2.78 1 17 PHE -2.35 1.55 1 18 THR -3.02 -0.08 1 19 ASN 4.14 -1.87 1 20 ASP 0.54 0.35 1 21 ILE -0.49 0.07 1 22 ALA 1.04 0.11 1 23 SER -0.90 1.26 1 24 ASN 1.56 -1.92 1 25 ILE 3.95 -1.43 1 26 LYS 5.13 -0.63 1 27 SER 4.38 -0.07 1 28 GLN 5.36 -1.21 1 29 LYS 3.86 -0.78 1 31 LEU 3.81 -0.69 1 32 GLN 4.42 -1.08 1 33 LEU 1.86 0.52 1 34 LEU 2.44 0.40 1 35 LYS 2.39 -1.40 1 37 ASP -1.46 2.03 1 38 VAL 0.85 -1.31 1 39 SER 0.65 0.62 1 40 HIS 2.64 -1.50 1 41 ARG 0.61 0.85 1 42 PHE -4.10 1.79 1 43 ASP -3.60 2.51 1 44 VAL -2.12 1.08 1 45 GLU -4.70 2.52 1 46 ILE 1.79 -1.85 1 47 ALA -2.75 1.26 1 48 ASN -2.23 1.29 1 49 ARG -4.67 2.76 1 50 PHE 0.62 0.88 1 52 THR -0.65 0.86 1 53 TRP 6.24 -1.15 1 54 ASP 3.94 -0.41 1 55 GLN 3.42 0.47 1 56 LEU 3.76 -0.24 1 57 GLN 4.45 -2.09 1 58 TYR 3.63 0.47 1 60 ARG 3.01 0.43 1 61 THR 0.81 1.05 1 62 SER 1.12 0.73 1 65 GLN 1.30 -1.46 1 68 VAL 4.40 -1.14 1 69 SER 3.41 -0.55 1 70 LEU 1.59 0.67 1 71 GLN 3.61 -1.16 1 72 ARG 3.52 -0.64 1 73 GLN -2.48 2.87 1 74 ILE -2.99 0.00 1 76 LYS 0.47 -1.74 1 77 LEU 5.04 -1.03 1 78 ASP 4.36 -0.81 1 79 SER 4.27 -0.87 1 80 VAL 3.43 -1.28 1 81 LEU 2.83 -1.17 1 82 LYS -0.21 -0.13 1 83 TYR -1.53 -1.29 1 84 LYS 0.32 0.09 1 85 HIS 3.63 -0.79 1 86 THR -0.84 -0.66 1 87 ASP -0.77 2.82 1 89 THR 5.71 -0.03 1 90 PHE 3.87 -1.36 1 92 MET -0.13 1.32 1 93 ASP -0.22 2.18 1 94 LEU 2.92 0.16 1 95 GLN 5.49 -1.41 1 96 LYS 3.87 -0.98 1 98 VAL 5.14 -0.80 1 99 GLN 4.21 -1.06 1 100 ARG -0.77 1.17 1 102 LEU -2.78 2.47 1 103 TRP -5.13 4.01 1 104 ASN -1.28 0.28 1 106 LYS -0.50 -0.29 1 107 GLU -6.65 3.32 1 108 ALA -5.04 4.02 1 109 LEU -3.97 2.94 1 110 TRP -7.73 3.16 1 111 VAL -3.75 1.50 1 112 ASP -3.03 0.45 1 113 TRP 1.44 0.66 1 114 GLU 2.59 0.44 1 115 ASN -0.72 0.50 1 117 LEU -4.29 2.96 1 118 VAL -6.38 2.65 1 121 GLU -0.95 1.06 1 123 ALA 3.01 -0.26 1 124 ASP 1.96 0.56 1 125 ILE 6.14 -2.08 1 126 ASP 2.74 0.56 1 127 LYS 2.93 0.65 1 128 TYR 0.43 0.75 1 129 ILE 1.89 -0.15 1 130 ILE 5.36 -3.39 1 131 GLN 1.97 -1.41 1 132 ARG 0.44 -0.01 1 133 LYS 1.34 0.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _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 6.94 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 110 TRP -7.73 1.39 0 73 GLN -2.48 -0.68 0 15 SER 0.63 1.15 0 12 ARG 0.98 -0.14 1 13 THR -0.04 0.66 1 14 ILE -1.70 0.94 1 16 LEU -4.75 0.84 1 17 PHE -2.35 0.88 1 18 THR -3.02 1.10 1 19 ASN 4.14 -0.46 1 20 ASP 0.54 -0.10 1 21 ILE -0.49 0.01 1 22 ALA 1.04 -0.09 1 23 SER -0.90 0.15 1 24 ASN 1.56 0.31 1 25 ILE 3.95 -0.44 1 26 LYS 5.13 -0.23 1 27 SER 4.38 -0.35 1 28 GLN 5.36 -0.38 1 29 LYS 3.86 -0.20 1 31 LEU 3.81 -0.45 1 32 GLN 4.42 -0.45 1 33 LEU 1.86 -0.22 1 34 LEU 2.44 -0.33 1 35 LYS 2.39 -0.07 1 37 ASP -1.46 0.03 1 38 VAL 0.85 0.21 1 39 SER 0.65 -0.15 1 40 HIS 2.64 -0.42 1 41 ARG 0.61 -0.10 1 42 PHE -4.10 0.77 1 43 ASP -3.60 0.49 1 44 VAL -2.12 0.98 1 45 GLU -4.70 0.31 1 46 ILE 1.79 0.31 1 47 ALA -2.75 0.26 1 48 ASN -2.23 0.68 1 49 ARG -4.67 0.46 1 50 PHE 0.62 -0.90 1 52 THR -0.65 0.14 1 53 TRP 6.24 0.17 1 54 ASP 3.94 -0.47 1 56 LEU 3.76 -0.54 1 57 GLN 4.45 -0.49 1 58 TYR 3.63 0.47 1 59 MET 2.08 -0.40 1 60 ARG 3.01 -0.75 1 61 THR 0.81 -0.04 1 62 SER 1.12 0.10 1 65 GLN 1.30 0.11 1 68 VAL 4.40 -0.32 1 69 SER 3.41 0.36 1 70 LEU 1.59 -0.71 1 71 GLN 3.61 -0.40 1 72 ARG 3.52 -0.45 1 74 ILE -2.99 0.44 1 76 LYS 0.47 0.53 1 77 LEU 5.04 -0.62 1 78 ASP 4.36 -0.42 1 79 SER 4.27 -0.23 1 80 VAL 3.43 -0.15 1 81 LEU 2.83 -0.03 1 82 LYS -0.21 0.27 1 83 TYR -1.53 0.33 1 84 LYS 0.32 0.02 1 85 HIS 3.63 -0.89 1 86 THR -0.84 -0.05 1 87 ASP -0.77 -0.39 1 89 THR 5.71 -0.97 1 90 PHE 3.87 0.11 1 92 MET -0.13 -0.31 1 93 ASP -0.22 -0.14 1 94 LEU 2.92 -0.57 1 95 GLN 5.49 0.03 1 96 LYS 3.87 -0.08 1 98 VAL 5.14 0.14 1 99 GLN 4.21 -0.15 1 100 ARG -0.77 0.07 1 102 LEU -2.78 0.00 1 103 TRP -5.13 0.46 1 104 ASN -1.28 -0.08 1 106 LYS -0.50 0.29 1 107 GLU -6.65 0.68 1 108 ALA -5.04 0.48 1 109 LEU -3.97 0.70 1 111 VAL -3.75 0.60 1 112 ASP -3.03 0.40 1 113 TRP 1.44 -0.68 1 114 GLU 2.59 -0.11 1 115 ASN -0.72 0.28 1 116 LYS 6.94 -0.45 1 117 LEU -4.29 0.29 1 118 VAL -6.38 0.14 1 120 ASN -4.93 0.63 1 121 GLU -0.95 0.17 1 123 ALA 3.01 -0.18 1 124 ASP 1.96 0.16 1 125 ILE 6.14 -1.34 1 126 ASP 2.74 -0.29 1 127 LYS 2.93 -0.63 1 128 TYR 0.43 0.11 1 129 ILE 1.89 -0.04 1 130 ILE 5.36 -0.32 1 131 GLN 1.97 -0.15 1 132 ARG 0.44 -0.06 1 133 LYS 1.34 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6345_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -3.74 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 6.94 _LACS_plot.Line_2_terminator_val_y_2 3.05 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 LYS 6.94 -1.70 0 13 THR -0.04 -0.32 1 14 ILE -1.70 -0.53 1 15 SER 0.63 -2.74 1 16 LEU -4.75 -3.19 1 17 PHE -2.35 0.37 1 18 THR -3.02 -3.48 1 19 ASN 4.14 -0.98 1 20 ASP 0.54 -0.59 1 21 ILE -0.49 -1.70 1 22 ALA 1.04 0.79 1 24 ASN 1.56 0.54 1 25 ILE 3.95 1.04 1 27 SER 4.38 0.58 1 28 GLN 5.36 2.68 1 29 LYS 3.86 3.54 1 31 LEU 3.81 -0.01 1 32 GLN 4.42 3.38 1 33 LEU 1.86 2.06 1 34 LEU 2.44 1.53 1 35 LYS 2.39 0.74 1 37 ASP -1.46 0.54 1 38 VAL 0.85 0.21 1 39 SER 0.65 -0.16 1 40 HIS 2.64 0.19 1 41 ARG 0.61 -0.45 1 42 PHE -4.10 -2.09 1 43 ASP -3.60 -1.45 1 44 VAL -2.12 -0.74 1 45 GLU -4.70 -2.16 1 46 ILE 1.79 -1.75 1 47 ALA -2.75 -2.41 1 48 ASN -2.23 -1.09 1 49 ARG -4.67 -2.75 1 52 THR -0.65 -0.06 1 53 TRP 6.24 1.66 1 54 ASP 3.94 3.65 1 55 GLN 3.42 2.05 1 56 LEU 3.76 0.84 1 57 GLN 4.45 3.10 1 58 TYR 3.63 2.75 1 59 MET 2.08 0.14 1 60 ARG 3.01 1.31 1 61 THR 0.81 1.76 1 62 SER 1.12 -1.85 1 65 GLN 1.30 -0.09 1 68 VAL 4.40 1.42 1 69 SER 3.41 2.96 1 70 LEU 1.59 0.39 1 71 GLN 3.61 1.73 1 72 ARG 3.52 0.82 1 73 GLN -2.48 -1.52 1 76 LYS 0.47 -0.32 1 77 LEU 5.04 -1.20 1 78 ASP 4.36 2.41 1 79 SER 4.27 1.78 1 80 VAL 3.43 1.72 1 81 LEU 2.83 0.25 1 82 LYS -0.21 0.78 1 83 TYR -1.53 1.57 1 84 LYS 0.32 2.77 1 85 HIS 3.63 0.18 1 86 THR -0.84 -0.10 1 89 THR 5.71 0.18 1 90 PHE 3.87 0.79 1 92 MET -0.13 -0.74 1 93 ASP -0.22 1.91 1 94 LEU 2.92 1.64 1 95 GLN 5.49 3.92 1 96 LYS 3.87 2.99 1 98 VAL 5.14 3.82 1 99 GLN 4.21 1.61 1 100 ARG -0.77 -0.16 1 102 LEU -2.78 -3.78 1 103 TRP -5.13 -1.55 1 106 LYS -0.50 -0.41 1 107 GLU -6.65 -3.01 1 108 ALA -5.04 -3.36 1 109 LEU -3.97 -3.91 1 110 TRP -7.73 -1.63 1 111 VAL -3.75 -2.39 1 112 ASP -3.03 0.09 1 114 GLU 2.59 0.76 1 117 LEU -4.29 -4.16 1 118 VAL -6.38 -3.60 1 120 ASN -4.93 0.01 1 123 ALA 3.01 2.37 1 124 ASP 1.96 1.72 1 125 ILE 6.14 2.63 1 126 ASP 2.74 0.31 1 127 LYS 2.93 1.32 1 128 TYR 0.43 0.07 1 129 ILE 1.89 0.22 1 130 ILE 5.36 2.34 1 131 GLN 1.97 -0.25 1 132 ARG 0.44 -1.05 1 stop_ save_