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 bmr36086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 -1.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.83 _LACS_plot.Line_2_terminator_val_x_2 8.15 _LACS_plot.Line_2_terminator_val_y_2 6.81 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 PHE -6.15 -1.42 0 10 SER 1.53 1.26 1 11 VAL -0.71 1.36 1 12 LEU -4.54 -2.47 1 13 LYS -0.59 -0.51 1 14 ASP 3.88 4.02 1 15 ALA 3.32 2.91 1 16 GLU 4.06 2.46 1 17 VAL 6.59 5.62 1 18 THR 6.69 5.53 1 19 ALA 3.96 2.74 1 20 ALA 2.61 2.07 1 21 LEU 3.25 2.58 1 22 ASP 3.98 3.30 1 25 LYS 3.64 3.56 1 26 ALA -0.98 -0.98 1 27 ALA 3.01 1.77 1 29 SER -0.35 1.01 1 30 PHE 2.93 3.31 1 31 ASP -4.02 -1.76 1 32 HIS 5.00 4.90 1 33 LYS 4.86 3.08 1 34 LYS 3.22 2.89 1 35 PHE 3.84 4.50 1 36 PHE 4.40 2.33 1 37 LYS 2.84 2.41 1 38 ALA 3.21 2.41 1 41 LEU 1.55 2.39 1 42 SER 3.27 2.75 1 44 LYS -1.32 -1.84 1 45 SER -1.97 -0.46 1 46 THR 6.14 4.98 1 47 ASP 4.13 3.72 1 48 GLU 2.65 2.93 1 49 VAL 6.90 5.58 1 50 LYS 5.39 4.56 1 51 LYS 4.09 3.41 1 52 ALA 2.99 2.37 1 53 PHE 4.48 4.23 1 54 ALA 2.48 1.72 1 55 ILE 3.65 2.80 1 56 ILE 2.81 1.87 1 57 ASP 0.80 -2.14 1 58 GLN 3.95 3.85 1 59 ASP 0.07 -1.40 1 60 LYS 5.13 0.69 1 61 SER 0.43 1.10 1 64 ILE -0.25 -1.04 1 65 GLU 1.05 0.64 1 66 GLU 5.02 5.08 1 67 GLU 3.94 3.30 1 68 GLU 0.75 1.04 1 69 LEU 2.73 1.74 1 70 LYS 4.07 3.36 1 71 LEU 0.68 -1.25 1 72 PHE 1.86 4.91 1 73 LEU 3.09 2.20 1 74 GLN 4.16 1.22 1 75 ASN 1.13 2.24 1 76 PHE 1.82 1.56 1 77 LYS -2.94 0.22 1 78 ALA 2.65 1.58 1 80 ALA -1.90 -0.43 1 81 ARG 0.11 -0.51 1 82 ALA -0.93 -0.92 1 83 LEU 0.24 -0.27 1 84 SER -3.02 -1.03 1 85 ASP 4.99 4.25 1 86 ALA 3.74 2.99 1 87 GLU 0.01 2.32 1 88 THR 8.15 6.49 1 89 LYS 3.97 3.25 1 90 ALA 3.62 2.66 1 91 PHE 0.21 -0.32 1 92 LEU 3.43 3.19 1 93 LYS 3.28 2.52 1 94 ALA 1.56 1.61 1 96 ASP 0.90 -0.60 1 97 SER 2.23 1.89 1 98 ASP 0.37 -0.74 1 100 ASP 0.14 -0.62 1 102 LYS -5.32 -2.12 1 103 ILE -2.09 -1.70 1 105 ILE 4.85 3.28 1 106 ASP 4.49 3.06 1 107 GLU 1.43 1.82 1 108 PHE 2.94 3.72 1 109 ALA 4.01 2.77 1 110 ALA 3.04 2.23 1 111 MET 2.25 2.86 1 112 ILE 2.76 1.90 1 113 LYS 1.17 0.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 4.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 8.15 _LACS_plot.Line_2_terminator_val_y_2 -1.34 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 PHE -6.15 4.73 0 10 SER 1.53 -0.27 1 11 VAL -0.71 2.07 1 12 LEU -4.54 2.07 1 13 LYS -0.59 0.08 1 14 ASP 3.88 0.14 1 15 ALA 3.32 -0.41 1 16 GLU 4.06 -1.60 1 17 VAL 6.59 -0.97 1 18 THR 6.69 -1.16 1 19 ALA 3.96 -1.22 1 20 ALA 2.61 -0.54 1 21 LEU 3.25 -0.67 1 22 ASP 3.98 -0.68 1 25 LYS 3.64 -0.08 1 26 ALA -0.98 0.00 1 27 ALA 3.01 -1.24 1 29 SER -0.35 1.36 1 30 PHE 2.93 0.38 1 31 ASP -4.02 2.26 1 32 HIS 5.00 -0.10 1 33 LYS 4.86 -1.78 1 34 LYS 3.22 -0.33 1 35 PHE 3.84 0.66 1 36 PHE 4.40 -2.07 1 37 LYS 2.84 -0.43 1 38 ALA 3.21 -0.80 1 41 LEU 1.55 0.84 1 42 SER 3.27 -0.52 1 44 LYS -1.32 -0.52 1 45 SER -1.97 1.51 1 46 THR 6.14 -1.16 1 47 ASP 4.13 -0.41 1 48 GLU 2.65 0.28 1 49 VAL 6.90 -1.32 1 50 LYS 5.39 -0.83 1 51 LYS 4.09 -0.68 1 52 ALA 2.99 -0.62 1 53 PHE 4.48 -0.25 1 54 ALA 2.48 -0.76 1 55 ILE 3.65 -0.85 1 56 ILE 2.81 -0.94 1 57 ASP 0.80 -2.94 1 58 GLN 3.95 -0.10 1 59 ASP 0.07 -1.47 1 60 LYS 5.13 -4.44 1 61 SER 0.43 0.67 1 64 ILE -0.25 -0.79 1 65 GLU 1.05 -0.41 1 66 GLU 5.02 0.06 1 67 GLU 3.94 -0.64 1 68 GLU 0.75 0.29 1 69 LEU 2.73 -0.99 1 70 LYS 4.07 -0.71 1 71 LEU 0.68 -1.93 1 72 PHE 1.86 3.05 1 73 LEU 3.09 -0.89 1 74 GLN 4.16 -2.94 1 75 ASN 1.13 1.11 1 76 PHE 1.82 -0.26 1 77 LYS -2.94 3.16 1 78 ALA 2.65 -1.07 1 80 ALA -1.90 1.47 1 81 ARG 0.11 -0.62 1 82 ALA -0.93 0.01 1 83 LEU 0.24 -0.51 1 84 SER -3.02 1.99 1 85 ASP 4.99 -0.74 1 86 ALA 3.74 -0.75 1 87 GLU 0.01 2.31 1 88 THR 8.15 -1.66 1 89 LYS 3.97 -0.72 1 90 ALA 3.62 -0.96 1 91 PHE 0.21 -0.53 1 92 LEU 3.43 -0.24 1 93 LYS 3.28 -0.76 1 94 ALA 1.56 0.05 1 96 ASP 0.90 -1.50 1 97 SER 2.23 -0.34 1 98 ASP 0.37 -1.11 1 100 ASP 0.14 -0.76 1 102 LYS -5.32 3.20 1 103 ILE -2.09 0.39 1 105 ILE 4.85 -1.57 1 106 ASP 4.49 -1.43 1 107 GLU 1.43 0.39 1 108 PHE 2.94 0.78 1 109 ALA 4.01 -1.24 1 110 ALA 3.04 -0.81 1 111 MET 2.25 0.61 1 112 ILE 2.76 -0.86 1 113 LYS 1.17 -0.43 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 0.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 8.15 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 PHE 4.48 -1.54 0 32 HIS 5.00 -1.71 0 10 SER 1.53 0.04 1 11 VAL -0.71 0.17 1 12 LEU -4.54 0.57 1 13 LYS -0.59 0.18 1 14 ASP 3.88 -0.28 1 15 ALA 3.32 -0.19 1 16 GLU 4.06 -0.23 1 17 VAL 6.59 -0.89 1 18 THR 6.69 -0.57 1 19 ALA 3.96 -0.16 1 20 ALA 2.61 -0.61 1 21 LEU 3.25 -0.15 1 22 ASP 3.98 -0.19 1 25 LYS 3.64 -0.16 1 26 ALA -0.98 0.07 1 27 ALA 3.01 -0.28 1 29 SER -0.35 -0.03 1 30 PHE 2.93 -0.54 1 31 ASP -4.02 -0.26 1 33 LYS 4.86 -0.48 1 34 LYS 3.22 -0.44 1 35 PHE 3.84 -0.66 1 36 PHE 4.40 -0.06 1 37 LYS 2.84 0.00 1 38 ALA 3.21 -0.28 1 41 LEU 1.55 -0.22 1 42 SER 3.27 -0.40 1 44 LYS -1.32 0.20 1 45 SER -1.97 0.08 1 46 THR 6.14 -0.47 1 47 ASP 4.13 -0.24 1 48 GLU 2.65 -0.25 1 49 VAL 6.90 -0.49 1 50 LYS 5.39 -0.30 1 51 LYS 4.09 -0.25 1 52 ALA 2.99 -0.25 1 54 ALA 2.48 -0.31 1 55 ILE 3.65 -0.75 1 56 ILE 2.81 -0.63 1 57 ASP 0.80 -0.16 1 58 GLN 3.95 -0.51 1 59 ASP 0.07 -0.06 1 60 LYS 5.13 -0.41 1 61 SER 0.43 -0.13 1 63 PHE -6.15 0.49 1 64 ILE -0.25 0.64 1 65 GLU 1.05 0.22 1 66 GLU 5.02 -0.75 1 67 GLU 3.94 -0.31 1 68 GLU 0.75 -0.28 1 69 LEU 2.73 -0.38 1 70 LYS 4.07 -0.19 1 71 LEU 0.68 0.17 1 72 PHE 1.86 -0.75 1 73 LEU 3.09 -0.43 1 74 GLN 4.16 0.18 1 75 ASN 1.13 -0.42 1 76 PHE 1.82 -0.30 1 77 LYS -2.94 0.02 1 78 ALA 2.65 -0.02 1 80 ALA -1.90 -0.06 1 81 ARG 0.11 -0.01 1 82 ALA -0.93 0.06 1 83 LEU 0.24 0.06 1 84 SER -3.02 0.09 1 85 ASP 4.99 -0.15 1 86 ALA 3.74 -0.14 1 87 GLU 0.01 -0.13 1 88 THR 8.15 -0.68 1 89 LYS 3.97 -0.38 1 90 ALA 3.62 -0.10 1 91 PHE 0.21 -0.24 1 92 LEU 3.43 -0.62 1 93 LYS 3.28 -0.30 1 94 ALA 1.56 -0.11 1 96 ASP 0.90 0.20 1 97 SER 2.23 -0.13 1 98 ASP 0.37 0.07 1 100 ASP 0.14 -0.14 1 102 LYS -5.32 0.40 1 103 ILE -2.09 1.06 1 105 ILE 4.85 -1.05 1 106 ASP 4.49 -0.20 1 107 GLU 1.43 -0.16 1 108 PHE 2.94 -0.45 1 109 ALA 4.01 -0.53 1 110 ALA 3.04 -0.15 1 111 MET 2.25 -0.10 1 112 ILE 2.76 -0.73 1 113 LYS 1.17 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 -1.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.16 _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 8.15 _LACS_plot.Line_2_terminator_val_y_2 2.81 _LACS_plot.Y_axis_chem_shift_offset -0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 PHE 2.93 -2.14 0 102 LYS -5.32 -2.01 0 63 PHE -6.15 -1.98 0 10 SER 1.53 -0.27 1 11 VAL -0.71 -1.70 1 12 LEU -4.54 -1.28 1 13 LYS -0.59 1.47 1 14 ASP 3.88 2.27 1 15 ALA 3.32 3.03 1 16 GLU 4.06 1.33 1 17 VAL 6.59 1.45 1 18 THR 6.69 1.17 1 19 ALA 3.96 3.15 1 20 ALA 2.61 2.75 1 21 LEU 3.25 2.95 1 22 ASP 3.98 2.86 1 25 LYS 3.64 0.49 1 26 ALA -0.98 0.97 1 27 ALA 3.01 0.68 1 29 SER -0.35 0.88 1 31 ASP -4.02 -0.07 1 32 HIS 5.00 0.61 1 33 LYS 4.86 3.42 1 34 LYS 3.22 2.49 1 35 PHE 3.84 2.28 1 36 PHE 4.40 2.10 1 37 LYS 2.84 2.86 1 38 ALA 3.21 1.12 1 41 LEU 1.55 -0.50 1 42 SER 3.27 0.28 1 44 LYS -1.32 -0.54 1 45 SER -1.97 0.47 1 46 THR 6.14 1.73 1 47 ASP 4.13 2.73 1 48 GLU 2.65 2.38 1 49 VAL 6.90 1.96 1 50 LYS 5.39 3.16 1 51 LYS 4.09 2.16 1 52 ALA 2.99 0.77 1 53 PHE 4.48 -0.57 1 54 ALA 2.48 0.87 1 55 ILE 3.65 -0.07 1 56 ILE 2.81 1.19 1 57 ASP 0.80 0.60 1 58 GLN 3.95 1.77 1 59 ASP 0.07 0.02 1 60 LYS 5.13 0.08 1 61 SER 0.43 1.72 1 64 ILE -0.25 0.07 1 65 GLU 1.05 1.04 1 66 GLU 5.02 1.35 1 67 GLU 3.94 2.20 1 68 GLU 0.75 3.23 1 69 LEU 2.73 1.02 1 70 LYS 4.07 2.35 1 71 LEU 0.68 -0.55 1 72 PHE 1.86 2.20 1 73 LEU 3.09 2.25 1 74 GLN 4.16 0.85 1 75 ASN 1.13 -1.44 1 76 PHE 1.82 -0.30 1 77 LYS -2.94 -2.12 1 78 ALA 2.65 1.31 1 80 ALA -1.90 -1.52 1 81 ARG 0.11 -0.76 1 82 ALA -0.93 1.13 1 83 LEU 0.24 0.38 1 85 ASP 4.99 1.66 1 86 ALA 3.74 3.97 1 87 GLU 0.01 3.36 1 88 THR 8.15 1.55 1 89 LYS 3.97 2.64 1 90 ALA 3.62 2.17 1 91 PHE 0.21 1.35 1 92 LEU 3.43 0.82 1 93 LYS 3.28 2.21 1 94 ALA 1.56 1.65 1 96 ASP 0.90 0.16 1 97 SER 2.23 1.86 1 98 ASP 0.37 2.00 1 100 ASP 0.14 1.34 1 103 ILE -2.09 0.00 1 105 ILE 4.85 -0.15 1 106 ASP 4.49 3.53 1 107 GLU 1.43 3.40 1 108 PHE 2.94 0.28 1 109 ALA 4.01 2.01 1 110 ALA 3.04 2.55 1 111 MET 2.25 0.99 1 112 ILE 2.76 -0.13 1 113 LYS 1.17 0.18 1 stop_ save_