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 bmr11212_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 4.69 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 PHE -4.09 -4.28 0 69 HIS 3.86 4.48 0 11 ILE 1.34 0.97 1 12 GLU -3.64 -0.11 1 13 LYS -1.66 -0.90 1 15 GLN -4.19 -1.92 1 18 THR -2.95 -1.47 1 19 VAL -7.20 -3.71 1 20 LYS -1.54 -1.09 1 21 VAL 3.08 2.27 1 23 GLU -1.61 -1.00 1 24 ASP -3.03 -1.54 1 25 ILE -2.03 -0.03 1 26 THR -1.78 -0.75 1 27 PHE -2.84 -1.04 1 28 ILE -3.65 -0.98 1 29 ALA -7.22 -2.79 1 30 LYS -5.58 -1.06 1 31 VAL -6.23 -1.47 1 32 LYS -1.02 -0.16 1 33 ALA -3.55 -1.66 1 34 GLU 0.66 1.49 1 35 ASP -1.28 -0.97 1 36 LEU 1.35 0.62 1 37 LEU 0.96 0.78 1 38 ARG -2.92 -2.05 1 39 LYS -0.71 -0.60 1 41 THR -2.55 -1.56 1 42 ILE -8.40 -3.85 1 43 LYS -6.08 -1.11 1 44 TRP -4.69 -2.44 1 45 PHE -6.08 -1.66 1 46 LYS -3.42 -0.98 1 48 LYS 3.75 2.96 1 49 TRP -3.20 -1.00 1 50 MET 1.36 1.22 1 51 ASP -0.42 -0.58 1 52 LEU 3.15 1.64 1 53 ALA 4.20 3.08 1 54 SER 1.66 1.37 1 55 LYS -1.31 -2.29 1 56 ALA 0.60 0.35 1 58 LYS 2.90 2.51 1 59 HIS -0.84 1.08 1 60 LEU -3.11 -0.43 1 61 GLN -5.25 -1.51 1 62 LEU -2.26 -1.61 1 63 LYS -4.67 -0.67 1 64 GLU -5.38 -1.65 1 65 THR -2.82 -0.53 1 66 PHE -5.11 -2.88 1 67 GLU -2.61 -1.89 1 68 ARG 3.95 3.05 1 70 SER -0.82 -0.43 1 71 ARG 5.96 1.68 1 72 VAL -1.78 -0.12 1 73 TYR -2.43 0.19 1 74 THR 1.03 0.63 1 75 PHE -3.24 -1.29 1 76 GLU -6.80 -2.67 1 77 MET -0.12 -0.59 1 78 GLN -2.75 -1.57 1 79 ILE 0.21 -1.16 1 80 ILE -3.78 -1.85 1 81 LYS 3.61 0.73 1 82 ALA 1.02 1.82 1 83 LYS -4.89 -2.60 1 84 ASP 4.75 3.38 1 85 ASN 3.28 1.31 1 86 PHE 0.99 -1.74 1 87 ALA 0.01 0.92 1 89 ASN -1.95 0.85 1 90 TYR -5.84 -1.20 1 91 ARG -5.03 -1.33 1 93 GLU -5.45 -2.07 1 94 VAL -5.15 -3.31 1 95 THR -2.03 -0.95 1 96 TYR -2.67 -1.32 1 97 LYS 6.41 2.44 1 98 ASP 1.48 0.17 1 99 LYS -3.64 -1.16 1 100 PHE -5.36 -1.54 1 101 ASP -6.09 -1.54 1 102 SER -4.47 -1.70 1 104 SER -2.82 -1.03 1 105 PHE -1.03 -1.16 1 106 ASP -4.03 -0.47 1 107 LEU -5.69 -1.78 1 108 GLU -3.99 -1.73 1 109 VAL -2.37 -1.75 1 110 HIS -5.68 -1.16 1 111 GLU -0.72 -0.03 1 112 SER -0.21 -0.12 1 113 THR 0.29 0.17 1 115 THR -0.29 -0.16 1 116 THR 0.08 0.00 1 118 ASN 0.32 0.25 1 119 ILE -0.08 0.03 1 120 ASP -0.03 0.15 1 121 SER -0.03 0.06 1 124 SER -0.13 0.00 1 125 SER -0.24 0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11212_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 5.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 PHE -4.09 -0.19 0 69 HIS 3.86 0.62 0 11 ILE 1.34 -0.37 1 12 GLU -3.64 3.53 1 13 LYS -1.66 0.76 1 15 GLN -4.19 2.27 1 18 THR -2.95 1.48 1 19 VAL -7.20 3.49 1 20 LYS -1.54 0.45 1 21 VAL 3.08 -0.81 1 23 GLU -1.61 0.61 1 24 ASP -3.03 1.49 1 25 ILE -2.03 2.00 1 26 THR -1.78 1.03 1 27 PHE -2.84 1.80 1 28 ILE -3.65 2.67 1 29 ALA -7.22 4.43 1 30 LYS -5.58 4.52 1 31 VAL -6.23 4.76 1 32 LYS -1.02 0.86 1 33 ALA -3.55 1.89 1 34 GLU 0.66 0.83 1 35 ASP -1.28 0.31 1 36 LEU 1.35 -0.73 1 37 LEU 0.96 -0.18 1 38 ARG -2.92 0.87 1 39 LYS -0.71 0.11 1 41 THR -2.55 0.99 1 42 ILE -8.40 4.55 1 43 LYS -6.08 4.97 1 44 TRP -4.69 2.25 1 45 PHE -6.08 4.42 1 46 LYS -3.42 2.44 1 48 LYS 3.75 -0.79 1 49 TRP -3.20 2.20 1 50 MET 1.36 -0.14 1 51 ASP -0.42 -0.16 1 52 LEU 3.15 -1.51 1 53 ALA 4.20 -1.12 1 54 SER 1.66 -0.29 1 55 LYS -1.31 -0.98 1 56 ALA 0.60 -0.25 1 58 LYS 2.90 -0.39 1 59 HIS -0.84 1.92 1 60 LEU -3.11 2.68 1 61 GLN -5.25 3.74 1 62 LEU -2.26 0.65 1 63 LYS -4.67 4.00 1 64 GLU -5.38 3.73 1 65 THR -2.82 2.29 1 66 PHE -5.11 2.23 1 67 GLU -2.61 0.72 1 68 ARG 3.95 -0.90 1 70 SER -0.82 0.39 1 71 ARG 5.96 -4.28 1 72 VAL -1.78 1.66 1 73 TYR -2.43 2.62 1 74 THR 1.03 -0.40 1 75 PHE -3.24 1.95 1 76 GLU -6.80 4.13 1 77 MET -0.12 -0.47 1 78 GLN -2.75 1.18 1 79 ILE 0.21 -1.37 1 80 ILE -3.78 1.93 1 81 LYS 3.61 -2.88 1 82 ALA 1.02 0.80 1 83 LYS -4.89 2.29 1 84 ASP 4.75 -1.37 1 85 ASN 3.28 -1.97 1 86 PHE 0.99 -2.73 1 87 ALA 0.01 0.91 1 89 ASN -1.95 2.80 1 90 TYR -5.84 4.64 1 91 ARG -5.03 3.70 1 93 GLU -5.45 3.38 1 94 VAL -5.15 1.84 1 95 THR -2.03 1.08 1 96 TYR -2.67 1.35 1 97 LYS 6.41 -3.97 1 98 ASP 1.48 -1.31 1 99 LYS -3.64 2.48 1 100 PHE -5.36 3.82 1 101 ASP -6.09 4.55 1 102 SER -4.47 2.77 1 104 SER -2.82 1.79 1 105 PHE -1.03 -0.13 1 106 ASP -4.03 3.56 1 107 LEU -5.69 3.91 1 108 GLU -3.99 2.26 1 109 VAL -2.37 0.62 1 110 HIS -5.68 4.52 1 111 GLU -0.72 0.69 1 112 SER -0.21 0.09 1 113 THR 0.29 -0.12 1 115 THR -0.29 0.13 1 116 THR 0.08 -0.08 1 118 ASN 0.32 -0.07 1 119 ILE -0.08 0.11 1 120 ASP -0.03 0.18 1 121 SER -0.03 0.09 1 124 SER -0.13 0.13 1 125 SER -0.24 0.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11212_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 1.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 ARG 3.95 -1.20 0 30 LYS -5.58 1.65 0 10 PHE -4.09 0.09 1 11 ILE 1.34 0.13 1 12 GLU -3.64 0.19 1 13 LYS -1.66 -0.11 1 15 GLN -4.19 0.24 1 18 THR -2.95 0.99 1 19 VAL -7.20 0.42 1 20 LYS -1.54 0.44 1 21 VAL 3.08 -0.74 1 23 GLU -1.61 0.26 1 24 ASP -3.03 0.76 1 25 ILE -2.03 0.17 1 26 THR -1.78 0.52 1 27 PHE -2.84 0.02 1 28 ILE -3.65 0.93 1 29 ALA -7.22 0.68 1 31 VAL -6.23 0.53 1 32 LYS -1.02 0.50 1 33 ALA -3.55 0.15 1 34 GLU 0.66 -0.16 1 35 ASP -1.28 0.05 1 36 LEU 1.35 0.08 1 37 LEU 0.96 -0.02 1 38 ARG -2.92 0.27 1 39 LYS -0.71 0.03 1 41 THR -2.55 0.20 1 42 ILE -8.40 0.82 1 43 LYS -6.08 0.18 1 44 TRP -4.69 0.63 1 45 PHE -6.08 1.03 1 46 LYS -3.42 -0.04 1 48 LYS 3.75 -0.78 1 49 TRP -3.20 0.27 1 50 MET 1.36 0.03 1 51 ASP -0.42 -0.31 1 52 LEU 3.15 -0.38 1 53 ALA 4.20 -0.30 1 54 SER 1.66 -0.04 1 55 LYS -1.31 0.21 1 56 ALA 0.60 -0.01 1 58 LYS 2.90 -0.38 1 59 HIS -0.84 0.39 1 60 LEU -3.11 1.11 1 61 GLN -5.25 0.36 1 62 LEU -2.26 0.90 1 63 LYS -4.67 0.49 1 64 GLU -5.38 1.08 1 65 THR -2.82 0.25 1 66 PHE -5.11 0.14 1 67 GLU -2.61 -0.09 1 69 HIS 3.86 -0.44 1 70 SER -0.82 -0.26 1 71 ARG 5.96 -0.81 1 72 VAL -1.78 0.41 1 73 TYR -2.43 0.31 1 74 THR 1.03 0.40 1 75 PHE -3.24 0.89 1 76 GLU -6.80 1.28 1 77 MET -0.12 -0.08 1 78 GLN -2.75 0.51 1 79 ILE 0.21 0.41 1 80 ILE -3.78 0.05 1 81 LYS 3.61 -1.05 1 82 ALA 1.02 -0.58 1 83 LYS -4.89 0.23 1 84 ASP 4.75 -0.69 1 85 ASN 3.28 -0.15 1 86 PHE 0.99 0.14 1 87 ALA 0.01 -0.15 1 89 ASN -1.95 0.44 1 90 TYR -5.84 0.40 1 91 ARG -5.03 0.99 1 93 GLU -5.45 0.63 1 94 VAL -5.15 0.87 1 95 THR -2.03 0.64 1 96 TYR -2.67 0.29 1 97 LYS 6.41 -0.93 1 98 ASP 1.48 -0.10 1 99 LYS -3.64 0.50 1 100 PHE -5.36 0.84 1 101 ASP -6.09 0.17 1 102 SER -4.47 1.21 1 104 SER -2.82 1.06 1 105 PHE -1.03 0.24 1 106 ASP -4.03 1.01 1 107 LEU -5.69 1.07 1 108 GLU -3.99 0.49 1 109 VAL -2.37 1.00 1 110 HIS -5.68 0.30 1 111 GLU -0.72 -0.05 1 112 SER -0.21 0.05 1 113 THR 0.29 0.05 1 115 THR -0.29 0.05 1 116 THR 0.08 0.01 1 118 ASN 0.32 -0.06 1 119 ILE -0.08 0.02 1 120 ASP -0.03 0.03 1 121 SER -0.03 0.00 1 124 SER -0.13 0.03 1 125 SER -0.24 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11212_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.25 _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 -0.83 _LACS_plot.Line_2_terminator_val_x_2 5.95 _LACS_plot.Line_2_terminator_val_y_2 1.32 _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 71 ARG 5.96 -2.70 0 39 LYS -0.71 -5.82 0 10 PHE -4.09 -0.63 1 11 ILE 1.34 -0.54 1 12 GLU -3.64 -1.94 1 13 LYS -1.66 -1.17 1 15 GLN -4.19 -0.01 1 18 THR -2.95 -0.01 1 19 VAL -7.20 -4.08 1 20 LYS -1.54 0.21 1 21 VAL 3.08 1.03 1 23 GLU -1.61 -2.75 1 24 ASP -3.03 -0.06 1 25 ILE -2.03 -5.54 1 26 THR -1.78 -1.97 1 27 PHE -2.84 -1.72 1 28 ILE -3.65 -2.36 1 29 ALA -7.22 -1.32 1 33 ALA -3.55 -1.54 1 34 GLU 0.66 -0.69 1 35 ASP -1.28 0.06 1 36 LEU 1.35 0.27 1 37 LEU 0.96 -0.25 1 38 ARG -2.92 -1.42 1 41 THR -2.55 0.99 1 43 LYS -6.08 -3.03 1 44 TRP -4.69 -1.26 1 45 PHE -6.08 -0.17 1 46 LYS -3.42 -0.15 1 48 LYS 3.75 1.94 1 49 TRP -3.20 0.24 1 50 MET 1.36 -2.73 1 51 ASP -0.42 1.85 1 52 LEU 3.15 0.65 1 53 ALA 4.20 2.95 1 54 SER 1.66 0.36 1 55 LYS -1.31 -1.04 1 56 ALA 0.60 0.07 1 58 LYS 2.90 0.27 1 59 HIS -0.84 0.11 1 60 LEU -3.11 -2.62 1 61 GLN -5.25 -2.36 1 62 LEU -2.26 -0.75 1 63 LYS -4.67 -2.25 1 64 GLU -5.38 -1.22 1 65 THR -2.82 -2.84 1 66 PHE -5.11 -2.35 1 67 GLU -2.61 -1.92 1 68 ARG 3.95 1.05 1 69 HIS 3.86 2.84 1 70 SER -0.82 0.02 1 72 VAL -1.78 0.64 1 73 TYR -2.43 -1.03 1 74 THR 1.03 -1.57 1 75 PHE -3.24 -1.45 1 76 GLU -6.80 -1.22 1 77 MET -0.12 -3.02 1 78 GLN -2.75 -1.51 1 79 ILE 0.21 -1.42 1 80 ILE -3.78 -1.17 1 81 LYS 3.61 -1.36 1 82 ALA 1.02 -0.93 1 83 LYS -4.89 0.01 1 84 ASP 4.75 1.57 1 85 ASN 3.28 0.39 1 86 PHE 0.99 0.76 1 87 ALA 0.01 -0.83 1 89 ASN -1.95 -1.73 1 90 TYR -5.84 -1.20 1 93 GLU -5.45 -1.60 1 96 TYR -2.67 -2.47 1 98 ASP 1.48 -1.24 1 99 LYS -3.64 -1.59 1 100 PHE -5.36 -2.32 1 101 ASP -6.09 -3.07 1 102 SER -4.47 -1.45 1 104 SER -2.82 -1.07 1 105 PHE -1.03 -4.32 1 106 ASP -4.03 -1.66 1 107 LEU -5.69 -1.12 1 108 GLU -3.99 -1.88 1 109 VAL -2.37 -0.73 1 110 HIS -5.68 0.56 1 111 GLU -0.72 -0.32 1 112 SER -0.21 0.37 1 113 THR 0.29 0.44 1 115 THR -0.29 -0.10 1 116 THR 0.08 -0.39 1 118 ASN 0.32 0.06 1 119 ILE -0.08 -0.53 1 120 ASP -0.03 -0.08 1 121 SER -0.03 0.20 1 124 SER -0.13 0.10 1 125 SER -0.24 -0.64 1 stop_ save_