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 bmr34029_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.11 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.80 _LACS_plot.Line_2_terminator_val_x_2 7.50 _LACS_plot.Line_2_terminator_val_y_2 5.50 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 HIS -4.11 2.38 0 54 LYS -2.74 3.73 0 10 ARG 4.53 2.63 1 11 TYR 4.25 3.41 1 12 VAL 6.75 4.77 1 13 GLU 0.62 -0.55 1 14 GLN -1.74 -1.46 1 15 LEU 4.59 3.02 1 16 LYS 5.14 4.15 1 17 GLN 4.16 2.61 1 18 ALA 3.69 2.29 1 19 LEU 4.33 2.63 1 20 LYS 3.63 2.60 1 21 THR 3.58 2.85 1 22 ARG -0.32 -1.84 1 24 VAL -0.26 -0.57 1 25 LYS 0.48 -0.40 1 26 VAL -2.90 -1.88 1 27 LYS 0.25 -0.99 1 28 TYR 0.28 -1.48 1 29 ALA 3.48 2.41 1 30 ASP 0.99 -0.15 1 31 LEU 3.08 1.74 1 32 LEU 4.81 3.00 1 33 LYS 4.25 2.88 1 34 PHE 4.96 2.60 1 35 PHE 6.55 4.11 1 36 ASP 5.60 4.08 1 37 PHE 4.95 3.72 1 38 VAL 7.24 4.95 1 39 LYS 4.79 3.32 1 40 ASP 2.50 2.38 1 41 THR 3.32 2.83 1 44 TRP 6.09 4.26 1 45 PHE 3.56 2.63 1 47 GLN 3.55 2.37 1 48 GLU -0.86 0.03 1 50 THR 1.36 -2.02 1 51 ILE -4.00 -2.57 1 52 ASP 1.72 0.80 1 53 ILE 5.23 3.73 1 55 ARG 2.20 2.60 1 56 TRP 5.51 4.20 1 57 ARG 4.98 3.83 1 58 ARG -1.83 -3.94 1 59 VAL 4.16 2.71 1 61 ASP 3.14 0.14 1 63 PHE 4.45 3.39 1 64 GLN 3.43 3.10 1 65 ASP 3.29 2.45 1 66 TYR 3.70 3.83 1 67 TYR 3.31 2.19 1 68 ASN 3.87 3.42 1 69 THR -0.43 0.71 1 70 PHE 3.02 1.97 1 73 GLU -1.73 -0.94 1 74 LYS -2.52 -1.36 1 75 VAL 4.66 3.08 1 77 VAL 2.68 1.00 1 78 THR 4.13 2.59 1 79 ALA 5.87 3.96 1 80 PHE 6.83 2.13 1 82 TYR 7.50 6.48 1 83 TRP 3.36 3.58 1 84 ASN 3.95 3.13 1 85 LEU 4.94 0.24 1 86 ILE 5.93 3.83 1 87 LYS 3.03 2.35 1 88 GLU 3.55 2.59 1 89 LEU 5.22 3.98 1 90 ILE 3.78 3.48 1 91 ASP -0.51 -1.60 1 92 LYS 0.43 -0.72 1 93 LYS 0.19 -0.30 1 94 GLU 3.01 2.46 1 95 VAL 3.89 2.87 1 98 GLN 5.54 4.21 1 99 VAL 3.71 2.17 1 101 ALA 4.19 2.51 1 102 ALA -0.03 -0.35 1 103 VAL 3.98 2.55 1 104 ALA -0.08 0.02 1 107 GLU 0.25 0.12 1 108 GLU 0.47 0.00 1 110 LEU 0.60 -0.08 1 111 LYS 0.46 0.15 1 112 SER 0.77 0.49 1 113 ASN 0.93 0.62 1 114 SER -0.27 0.34 1 115 GLN 0.88 0.42 1 116 THR 0.58 0.09 1 117 ASP -0.41 -0.85 1 118 LEU 0.38 -0.03 1 119 GLU 0.79 0.42 1 120 HIS 1.12 2.04 1 122 HIS 0.21 0.37 1 124 HIS 1.34 1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34029_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.11 _LACS_plot.Line_1_terminator_val_y_1 1.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.50 _LACS_plot.Line_2_terminator_val_y_2 -2.00 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 HIS -4.11 6.49 0 54 LYS -2.74 6.47 0 10 ARG 4.53 -1.90 1 11 TYR 4.25 -0.84 1 12 VAL 6.75 -1.98 1 13 GLU 0.62 -1.17 1 14 GLN -1.74 0.28 1 15 LEU 4.59 -1.57 1 16 LYS 5.14 -0.99 1 17 GLN 4.16 -1.55 1 18 ALA 3.69 -1.40 1 19 LEU 4.33 -1.70 1 20 LYS 3.63 -1.03 1 21 THR 3.58 -0.73 1 22 ARG -0.32 -1.52 1 24 VAL -0.26 -0.31 1 25 LYS 0.48 -0.88 1 26 VAL -2.90 1.02 1 27 LYS 0.25 -1.24 1 28 TYR 0.28 -1.76 1 29 ALA 3.48 -1.07 1 30 ASP 0.99 -1.14 1 31 LEU 3.08 -1.34 1 32 LEU 4.81 -1.81 1 33 LYS 4.25 -1.37 1 34 PHE 4.96 -2.36 1 35 PHE 6.55 -2.44 1 36 ASP 5.60 -1.52 1 37 PHE 4.95 -1.23 1 38 VAL 7.24 -2.29 1 39 LYS 4.79 -1.47 1 40 ASP 2.50 -0.12 1 41 THR 3.32 -0.49 1 44 TRP 6.09 -1.83 1 45 PHE 3.56 -0.93 1 47 GLN 3.55 -1.18 1 48 GLU -0.86 0.89 1 50 THR 1.36 -3.38 1 51 ILE -4.00 1.43 1 52 ASP 1.72 -0.92 1 53 ILE 5.23 -1.50 1 55 ARG 2.20 0.40 1 56 TRP 5.51 -1.31 1 57 ARG 4.98 -1.15 1 58 ARG -1.83 -2.11 1 59 VAL 4.16 -1.45 1 61 ASP 3.14 -3.00 1 63 PHE 4.45 -1.06 1 64 GLN 3.43 -0.33 1 65 ASP 3.29 -0.84 1 66 TYR 3.70 0.13 1 67 TYR 3.31 -1.12 1 68 ASN 3.87 -0.45 1 69 THR -0.43 1.14 1 70 PHE 3.02 -1.05 1 73 GLU -1.73 0.79 1 74 LYS -2.52 1.16 1 75 VAL 4.66 -1.58 1 77 VAL 2.68 -1.68 1 78 THR 4.13 -1.54 1 79 ALA 5.87 -1.91 1 80 PHE 6.83 -4.70 1 82 TYR 7.50 -1.02 1 83 TRP 3.36 0.22 1 84 ASN 3.95 -0.82 1 85 LEU 4.94 -4.70 1 86 ILE 5.93 -2.10 1 87 LYS 3.03 -0.68 1 88 GLU 3.55 -0.96 1 89 LEU 5.22 -1.24 1 90 ILE 3.78 -0.30 1 91 ASP -0.51 -1.09 1 92 LYS 0.43 -1.15 1 93 LYS 0.19 -0.49 1 94 GLU 3.01 -0.55 1 95 VAL 3.89 -1.02 1 98 GLN 5.54 -1.33 1 99 VAL 3.71 -1.54 1 101 ALA 4.19 -1.68 1 102 ALA -0.03 -0.32 1 103 VAL 3.98 -1.43 1 104 ALA -0.08 0.10 1 107 GLU 0.25 -0.13 1 108 GLU 0.47 -0.47 1 110 LEU 0.60 -0.68 1 111 LYS 0.46 -0.31 1 112 SER 0.77 -0.28 1 113 ASN 0.93 -0.31 1 114 SER -0.27 0.61 1 115 GLN 0.88 -0.46 1 116 THR 0.58 -0.49 1 117 ASP -0.41 -0.44 1 118 LEU 0.38 -0.41 1 119 GLU 0.79 -0.37 1 120 HIS 1.12 0.92 1 122 HIS 0.21 0.16 1 124 HIS 1.34 0.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34029_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 0.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.02 _LACS_plot.Line_2_terminator_val_x_2 7.50 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 GLN -1.74 -0.68 0 10 ARG 4.53 -0.22 1 11 TYR 4.25 -0.36 1 12 VAL 6.75 -1.00 1 13 GLU 0.62 -0.14 1 15 LEU 4.59 -0.47 1 16 LYS 5.14 -0.58 1 17 GLN 4.16 -0.48 1 18 ALA 3.69 -0.53 1 19 LEU 4.33 -0.56 1 21 THR 3.58 -0.22 1 22 ARG -0.32 0.04 1 24 VAL -0.26 -0.08 1 25 LYS 0.48 0.02 1 26 VAL -2.90 0.02 1 27 LYS 0.25 -0.20 1 29 ALA 3.48 -0.61 1 30 ASP 0.99 -0.26 1 31 LEU 3.08 -0.85 1 32 LEU 4.81 -0.73 1 33 LYS 4.25 -0.12 1 35 PHE 6.55 -0.82 1 38 VAL 7.24 -1.02 1 39 LYS 4.79 -0.85 1 40 ASP 2.50 -0.38 1 44 TRP 6.09 -0.30 1 45 PHE 3.56 -0.40 1 47 GLN 3.55 -0.27 1 48 GLU -0.86 -0.10 1 50 THR 1.36 -0.04 1 51 ILE -4.00 -0.02 1 52 ASP 1.72 -0.02 1 53 ILE 5.23 -0.20 1 54 LYS -2.74 0.08 1 55 ARG 2.20 0.09 1 56 TRP 5.51 0.07 1 57 ARG 4.98 -0.15 1 58 ARG -1.83 -0.45 1 59 VAL 4.16 -0.38 1 61 ASP 3.14 -0.50 1 63 PHE 4.45 -0.45 1 64 GLN 3.43 -0.16 1 65 ASP 3.29 0.05 1 66 TYR 3.70 -0.51 1 67 TYR 3.31 -0.36 1 68 ASN 3.87 -0.48 1 69 THR -0.43 0.01 1 70 PHE 3.02 -0.31 1 73 GLU -1.73 0.06 1 74 LYS -2.52 -0.03 1 75 VAL 4.66 -0.20 1 77 VAL 2.68 -0.44 1 78 THR 4.13 -0.32 1 79 ALA 5.87 -0.17 1 80 PHE 6.83 -0.42 1 82 TYR 7.50 -0.22 1 83 TRP 3.36 -0.51 1 84 ASN 3.95 -0.29 1 85 LEU 4.94 -0.71 1 86 ILE 5.93 -1.09 1 87 LYS 3.03 -0.49 1 88 GLU 3.55 -0.43 1 89 LEU 5.22 -0.83 1 90 ILE 3.78 -0.75 1 91 ASP 0.43 0.22 1 93 LYS 0.19 -0.07 1 94 GLU 3.01 -0.67 1 95 VAL 3.89 -0.39 1 98 GLN 5.54 -0.68 1 99 VAL 3.71 -0.10 1 101 ALA 4.19 -0.32 1 102 ALA -0.03 -0.03 1 103 VAL 3.98 -0.12 1 104 ALA -0.08 -0.11 1 107 GLU 0.25 -0.17 1 108 GLU 0.47 -0.05 1 110 LEU 0.60 -0.04 1 111 LYS 0.46 -0.08 1 112 SER 0.77 -0.04 1 113 ASN 0.93 -0.09 1 114 SER -0.27 0.01 1 115 GLN 0.88 -0.11 1 116 THR 0.58 -0.06 1 117 ASP -0.41 -0.18 1 118 LEU 0.38 -0.26 1 119 GLU 0.79 -0.24 1 120 HIS 0.21 -0.14 1 123 HIS 1.34 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34029_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 -1.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.46 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 2.27 _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 19 LEU 4.33 -2.66 0 51 ILE 1.36 -3.79 0 55 ARG -2.74 2.86 0 10 ARG 4.53 2.30 1 11 TYR 4.25 0.74 1 12 VAL 6.75 0.98 1 13 GLU 0.62 -1.39 1 16 LYS 5.14 1.22 1 18 ALA 3.69 1.35 1 20 LYS 3.63 1.38 1 22 ARG -0.32 0.06 1 24 VAL -0.26 -0.70 1 25 LYS 0.48 -1.05 1 26 VAL -2.90 -2.09 1 29 ALA 3.48 2.41 1 30 ASP 0.99 2.13 1 32 LEU 4.81 1.52 1 33 LYS 4.25 3.44 1 35 PHE 6.55 0.55 1 36 ASP 5.60 0.79 1 37 PHE 4.95 2.99 1 38 VAL 7.24 -0.15 1 39 LYS 4.79 -0.24 1 41 THR 3.32 -0.14 1 44 TRP 6.09 0.88 1 47 GLN 3.56 1.23 1 48 GLU 3.55 2.53 1 52 ASP -4.00 -0.53 1 53 ILE 1.72 0.56 1 54 LYS 5.23 3.85 1 56 TRP 2.20 3.85 1 57 ARG 5.51 1.80 1 58 ARG 4.98 3.14 1 59 VAL -1.83 0.26 1 61 ASP 4.16 2.24 1 63 PHE 3.14 2.28 1 64 GLN 4.45 1.65 1 66 TYR 3.29 2.62 1 67 TYR 3.70 2.32 1 68 ASN 3.31 1.43 1 69 THR 3.87 0.13 1 70 PHE -0.43 0.70 1 73 GLU 3.02 0.64 1 74 LYS -1.73 -0.94 1 78 THR 2.68 1.03 1 79 ALA 4.13 1.73 1 80 PHE 5.87 2.79 1 82 TYR 6.83 1.80 1 84 ASN 3.36 0.94 1 85 LEU 3.95 0.77 1 86 ILE 4.94 0.41 1 87 LYS 5.93 0.62 1 88 GLU 3.03 2.21 1 94 GLU 0.19 -0.99 1 98 GLN 3.89 3.27 1 101 ALA 3.71 1.80 1 102 ALA 4.19 3.17 1 103 VAL -0.03 -0.63 1 107 GLU -0.08 -0.27 1 108 GLU 0.25 -0.20 1 110 LEU 0.47 -0.32 1 111 LYS 0.60 0.01 1 112 SER 0.46 0.57 1 113 ASN 0.77 0.35 1 114 SER 0.93 -0.04 1 115 GLN -0.27 0.25 1 116 THR 0.88 -0.42 1 117 ASP 0.58 -0.06 1 118 LEU -0.41 0.04 1 119 GLU 0.38 -0.34 1 stop_ save_