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 bmr11114_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _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 -1.23 _LACS_plot.Line_2_terminator_val_x_2 9.01 _LACS_plot.Line_2_terminator_val_y_2 7.13 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 MET -6.01 0.12 0 62 ILE 0.58 -3.12 0 31 GLU 1.34 -2.74 0 10 LYS 0.71 0.15 1 11 VAL 1.76 1.13 1 12 LEU -3.26 -2.20 1 13 VAL -5.73 -3.19 1 15 LYS 2.56 2.33 1 16 ASN -1.46 -0.96 1 17 PHE 5.54 5.73 1 18 GLU 4.64 4.06 1 19 ASP 2.66 2.38 1 20 VAL 2.07 1.96 1 21 ALA 4.94 2.63 1 22 PHE 1.52 -1.46 1 23 ASP -0.51 0.15 1 24 GLU 1.76 1.31 1 25 LYS -0.65 -0.74 1 26 LYS -6.04 -2.85 1 27 ASN -3.10 -0.97 1 28 VAL -0.87 -0.75 1 29 PHE -7.01 -5.51 1 30 VAL -3.25 -0.81 1 32 PHE 1.11 -0.21 1 33 TYR -7.17 -2.94 1 34 ALA -4.37 -2.95 1 36 TRP -3.21 -3.54 1 39 HIS 2.49 4.27 1 41 LYS 4.82 4.04 1 42 GLN 3.32 2.68 1 43 LEU 0.13 0.30 1 44 ALA 9.01 6.69 1 46 ILE 3.83 3.12 1 47 TRP 2.71 2.68 1 48 ASP 4.21 3.30 1 49 LYS 3.58 2.33 1 50 LEU 4.41 3.10 1 52 GLU 3.16 2.99 1 53 THR 5.75 4.94 1 54 TYR 2.14 1.59 1 55 LYS 4.12 3.37 1 56 ASP 2.28 0.15 1 57 HIS 1.03 4.56 1 58 GLU 2.36 2.76 1 59 ASN 0.44 1.88 1 60 ILE 0.37 0.66 1 61 VAL -3.78 -1.01 1 63 ALA -7.41 -2.06 1 64 LYS -5.05 -1.40 1 66 ASP 0.03 -2.24 1 67 SER 2.13 3.33 1 68 THR 2.26 1.16 1 69 ALA -3.94 -1.40 1 70 ASN -5.39 -0.68 1 71 GLU -2.00 -0.58 1 72 VAL -4.00 -2.72 1 73 GLU 2.18 2.23 1 74 ALA 0.66 1.69 1 75 VAL -3.71 -1.82 1 76 LYS -1.25 -1.74 1 77 VAL -0.77 -0.41 1 78 HIS -2.38 0.85 1 79 SER -2.51 -1.68 1 80 PHE -4.00 -1.18 1 82 THR -0.57 1.75 1 83 LEU -2.17 -1.47 1 84 LYS -7.15 -1.74 1 85 PHE -6.66 -2.77 1 86 PHE -2.01 -1.90 1 88 ALA 1.84 -0.29 1 89 SER -2.42 -1.35 1 90 ALA 0.84 0.55 1 91 ASP -0.38 -0.21 1 92 ARG 4.53 1.14 1 93 THR 1.62 2.04 1 94 VAL -2.33 -0.84 1 95 ILE -3.77 -1.34 1 96 ASP 0.33 0.73 1 97 TYR -0.18 0.40 1 98 ASN -1.78 -0.89 1 100 GLU -0.44 0.11 1 101 ARG 2.54 -0.49 1 102 THR -6.54 -4.43 1 103 LEU 4.68 3.84 1 104 ASP 3.39 3.36 1 106 PHE 0.50 0.73 1 107 LYS 4.76 4.46 1 108 LYS 4.12 3.39 1 109 PHE 2.22 2.96 1 110 LEU 3.16 2.49 1 111 GLU 2.31 1.60 1 112 SER -0.45 0.14 1 115 GLN -0.60 -0.30 1 116 SER -0.15 0.08 1 119 SER 0.11 0.14 1 120 SER -0.25 0.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11114_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 4.17 _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 0.77 _LACS_plot.Line_2_terminator_val_x_2 9.01 _LACS_plot.Line_2_terminator_val_y_2 -1.88 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 MET -6.01 6.13 0 62 ILE 0.58 -3.70 0 31 GLU 1.34 -4.08 0 10 LYS 0.71 -0.56 1 11 VAL 1.76 -0.63 1 12 LEU -3.26 1.06 1 13 VAL -5.73 2.54 1 15 LYS 2.56 -0.23 1 16 ASN -1.46 0.50 1 17 PHE 5.54 0.19 1 18 GLU 4.64 -0.58 1 19 ASP 2.66 -0.28 1 20 VAL 2.07 -0.11 1 21 ALA 4.94 -2.31 1 22 PHE 1.52 -2.98 1 23 ASP -0.51 0.66 1 24 GLU 1.76 -0.45 1 25 LYS -0.65 -0.09 1 26 LYS -6.04 3.19 1 27 ASN -3.10 2.13 1 28 VAL -0.87 0.12 1 29 PHE -7.01 1.50 1 30 VAL -3.25 2.44 1 32 PHE 1.11 -1.32 1 33 TYR -7.17 4.23 1 34 ALA -4.37 1.42 1 36 TRP -3.21 -0.33 1 39 HIS 2.49 1.78 1 41 LYS 4.82 -0.78 1 42 GLN 3.32 -0.64 1 43 LEU 0.13 0.17 1 44 ALA 9.01 -2.32 1 46 ILE 3.83 -0.71 1 47 TRP 2.71 -0.03 1 48 ASP 4.21 -0.91 1 49 LYS 3.58 -1.25 1 50 LEU 4.41 -1.31 1 52 GLU 3.16 -0.17 1 53 THR 5.75 -0.81 1 54 TYR 2.14 -0.55 1 55 LYS 4.12 -0.75 1 56 ASP 2.28 -2.13 1 57 HIS 1.03 3.53 1 58 GLU 2.36 0.40 1 59 ASN 0.44 1.44 1 60 ILE 0.37 0.29 1 61 VAL -3.78 2.77 1 63 ALA -7.41 5.35 1 64 LYS -5.05 3.65 1 66 ASP 0.03 -2.27 1 67 SER 2.13 1.20 1 68 THR 2.26 -1.10 1 69 ALA -3.94 2.54 1 70 ASN -5.39 4.71 1 71 GLU -2.00 1.42 1 72 VAL -4.00 1.28 1 73 GLU 2.18 0.05 1 74 ALA 0.66 1.03 1 75 VAL -3.71 1.89 1 76 LYS -1.25 -0.49 1 77 VAL -0.77 0.36 1 78 HIS -2.38 3.23 1 79 SER -2.51 0.83 1 80 PHE -4.00 2.82 1 82 THR -0.57 2.32 1 83 LEU -2.17 0.70 1 84 LYS -7.15 5.41 1 85 PHE -6.66 3.89 1 86 PHE -2.01 0.11 1 88 ALA 1.84 -2.13 1 89 SER -2.42 1.07 1 90 ALA 0.84 -0.29 1 91 ASP -0.38 0.17 1 92 ARG 4.53 -3.39 1 93 THR 1.62 0.42 1 94 VAL -2.33 1.49 1 95 ILE -3.77 2.43 1 96 ASP 0.33 0.40 1 97 TYR -0.18 0.58 1 98 ASN -1.78 0.89 1 100 GLU -0.44 0.55 1 101 ARG 2.54 -3.03 1 102 THR -6.54 2.11 1 103 LEU 4.68 -0.84 1 104 ASP 3.39 -0.03 1 106 PHE 0.50 0.23 1 107 LYS 4.76 -0.30 1 108 LYS 4.12 -0.73 1 109 PHE 2.22 0.74 1 110 LEU 3.16 -0.67 1 111 GLU 2.31 -0.71 1 112 SER -0.45 0.59 1 115 GLN -0.60 0.30 1 116 SER -0.15 0.23 1 119 SER 0.11 0.03 1 120 SER -0.25 0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11114_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 0.65 _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 0.09 _LACS_plot.Line_2_terminator_val_x_2 9.01 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 PHE -7.01 1.57 0 66 ASP 0.03 -1.29 0 10 LYS 0.71 -0.11 1 11 VAL 1.76 0.06 1 12 LEU -3.26 0.67 1 13 VAL -5.73 0.27 1 15 LYS 2.56 -0.09 1 16 ASN -1.46 0.35 1 17 PHE 5.54 -0.87 1 18 GLU 4.64 -0.88 1 19 ASP 2.66 -0.47 1 20 VAL 2.07 -0.25 1 21 ALA 4.94 -1.21 1 22 PHE 1.52 0.42 1 23 ASP -0.51 -0.22 1 24 GLU 1.76 -0.19 1 25 LYS -0.65 0.02 1 26 LYS -6.04 0.62 1 27 ASN -3.10 0.06 1 28 VAL -0.87 0.74 1 30 VAL -3.25 0.35 1 31 GLU 1.34 -0.10 1 32 PHE 1.11 0.69 1 33 TYR -7.17 0.75 1 34 ALA -4.37 -0.37 1 36 TRP -3.21 -0.08 1 39 HIS 2.49 -0.11 1 41 LYS 4.82 -0.36 1 42 GLN 3.32 -0.24 1 43 LEU 0.13 0.07 1 44 ALA 9.01 -0.44 1 46 ILE 3.83 -0.36 1 47 TRP 2.71 -0.63 1 48 ASP 4.21 -0.32 1 49 LYS 3.58 -0.23 1 50 LEU 4.41 -0.46 1 52 GLU 3.16 -0.47 1 53 THR 5.75 -0.61 1 54 TYR 2.14 0.09 1 55 LYS 4.12 -0.15 1 56 ASP 2.28 0.00 1 57 HIS 1.03 -0.54 1 58 GLU 2.36 -0.29 1 59 ASN 0.44 0.17 1 60 ILE 0.37 0.81 1 61 VAL -3.78 0.06 1 62 ILE 0.58 0.49 1 63 ALA -7.41 1.53 1 64 LYS -5.05 1.08 1 65 MET -6.01 0.11 1 67 SER 2.13 0.08 1 68 THR 2.26 0.09 1 69 ALA -3.94 0.26 1 70 ASN -5.39 0.23 1 71 GLU -2.00 0.02 1 72 VAL -4.00 0.38 1 73 GLU 2.18 -0.41 1 74 ALA 0.66 -0.15 1 75 VAL -3.71 0.04 1 76 LYS -1.25 -0.02 1 77 VAL -0.77 -0.36 1 78 HIS -2.38 -0.17 1 79 SER -2.51 -0.29 1 80 PHE -4.00 0.08 1 82 THR -0.57 0.21 1 83 LEU -2.17 1.12 1 84 LYS -7.15 0.98 1 85 PHE -6.66 1.25 1 86 PHE -2.01 0.21 1 88 ALA 1.84 -0.44 1 89 SER -2.42 0.19 1 90 ALA 0.84 0.12 1 91 ASP -0.38 -0.07 1 92 ARG 4.53 -0.26 1 93 THR 1.62 -0.22 1 94 VAL -2.33 0.22 1 95 ILE -3.77 0.29 1 96 ASP 0.33 0.21 1 97 TYR -0.18 -0.27 1 98 ASN -1.78 0.17 1 100 GLU -0.44 -0.18 1 101 ARG 2.54 -0.14 1 102 THR -6.54 0.01 1 103 LEU 4.68 -0.30 1 104 ASP 3.39 -0.32 1 106 PHE 0.50 -0.09 1 107 LYS 4.76 -0.13 1 108 LYS 4.12 -0.34 1 109 PHE 2.22 -0.32 1 110 LEU 3.16 -1.16 1 111 GLU 2.31 -0.30 1 112 SER -0.45 0.05 1 115 GLN -0.60 0.02 1 116 SER -0.15 0.06 1 119 SER 0.11 0.02 1 120 SER -0.25 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11114_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 9.01 _LACS_plot.Line_2_terminator_val_y_2 2.97 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 ALA 9.01 -0.38 0 39 HIS 2.49 6.42 0 10 LYS 0.71 -1.49 1 11 VAL 1.76 -0.14 1 12 LEU -3.26 -2.71 1 13 VAL -5.73 0.07 1 15 LYS 2.56 0.46 1 16 ASN -1.46 0.84 1 17 PHE 5.54 0.32 1 18 GLU 4.64 2.00 1 19 ASP 2.66 0.96 1 20 VAL 2.07 0.75 1 24 GLU 1.76 -0.84 1 25 LYS -0.65 0.78 1 26 LYS -6.04 -2.62 1 27 ASN -3.10 -2.05 1 28 VAL -0.87 -2.55 1 29 PHE -7.01 -2.33 1 30 VAL -3.25 -3.09 1 31 GLU 1.34 -2.66 1 32 PHE 1.11 0.04 1 33 TYR -7.17 -5.35 1 34 ALA -4.37 1.15 1 36 TRP -3.21 -0.04 1 41 LYS 4.82 2.50 1 42 GLN 3.32 1.18 1 43 LEU 0.13 0.04 1 46 ILE 3.83 0.90 1 47 TRP 2.71 1.99 1 48 ASP 4.21 3.02 1 49 LYS 3.58 3.60 1 50 LEU 4.41 1.00 1 52 GLU 3.16 2.52 1 53 THR 5.75 0.71 1 54 TYR 2.14 0.04 1 56 ASP 2.28 -0.92 1 57 HIS 1.03 2.65 1 58 GLU 2.36 0.78 1 59 ASN 0.44 -1.26 1 60 ILE 0.37 -0.68 1 61 VAL -3.78 -3.27 1 62 ILE 0.58 -1.61 1 63 ALA -7.41 -1.03 1 64 LYS -5.05 -4.20 1 65 MET -6.01 -3.50 1 66 ASP 0.03 1.28 1 67 SER 2.13 0.07 1 68 THR 2.26 0.49 1 69 ALA -3.94 -1.49 1 70 ASN -5.39 -3.09 1 71 GLU -2.00 -1.25 1 72 VAL -4.00 -0.64 1 73 GLU 2.18 1.85 1 74 ALA 0.66 -0.40 1 75 VAL -3.71 -3.66 1 76 LYS -1.25 -1.19 1 77 VAL -0.77 -1.45 1 78 HIS -2.38 0.06 1 79 SER -2.51 -3.03 1 80 PHE -4.00 -1.21 1 82 THR -0.57 -2.95 1 83 LEU -2.17 -1.84 1 84 LYS -7.15 -3.74 1 85 PHE -6.66 -3.52 1 90 ALA 0.84 -0.16 1 91 ASP -0.38 -0.40 1 92 ARG 4.53 -1.15 1 93 THR 1.62 -1.25 1 94 VAL -2.33 -1.15 1 95 ILE -3.77 -1.09 1 96 ASP 0.33 -1.15 1 97 TYR -0.18 -1.25 1 100 GLU -0.44 2.22 1 101 ARG 2.54 -2.36 1 102 THR -6.54 -2.16 1 103 LEU 4.68 0.73 1 104 ASP 3.39 2.40 1 106 PHE 0.50 2.49 1 107 LYS 4.76 1.73 1 108 LYS 4.12 3.21 1 109 PHE 2.22 1.70 1 110 LEU 3.16 2.82 1 111 GLU 2.31 1.21 1 112 SER -0.45 0.86 1 115 GLN -0.60 -0.16 1 116 SER -0.15 0.00 1 119 SER 0.11 0.11 1 120 SER -0.25 -0.64 1 stop_ save_