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 bmr6272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 -3.22 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 5.01 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ILE 1.80 -2.36 0 10 HIS -0.86 0.94 1 11 SER 0.10 0.18 1 12 SER 0.33 0.34 1 14 LEU -0.02 -0.03 1 15 VAL -0.26 -0.19 1 17 ARG 0.43 0.31 1 19 SER 0.13 0.22 1 20 HIS -2.26 1.83 1 21 MET 0.15 0.22 1 22 THR -0.17 -0.13 1 23 PHE 0.45 1.07 1 25 LEU 3.89 3.33 1 26 GLU 4.28 3.72 1 27 THR 5.21 3.93 1 28 TYR 3.93 4.15 1 29 LEU 2.99 1.65 1 30 GLN 1.88 1.75 1 31 GLN 0.11 0.39 1 32 SER 0.11 0.01 1 34 GLU 0.15 -0.63 1 35 TYR -1.79 -1.36 1 36 GLU -5.15 -1.67 1 37 ILE -0.67 -1.22 1 38 HIS 2.62 2.49 1 39 MET 3.84 0.73 1 40 LYS 1.12 -0.90 1 41 ARG -3.06 -0.90 1 42 ALA -5.87 -1.93 1 44 PHE 5.90 6.01 1 45 ARG 5.24 3.37 1 46 GLU 4.34 3.25 1 48 ALA 3.74 2.53 1 49 ALA 3.31 2.12 1 50 MET 4.25 3.64 1 51 ILE 6.04 5.08 1 52 GLU 3.89 2.68 1 53 LYS 0.91 1.46 1 54 LYS -0.56 0.99 1 55 ALA -2.11 -0.27 1 56 ARG 4.14 2.73 1 57 ARG -3.23 -1.02 1 58 VAL -2.57 -1.14 1 59 VAL -4.25 -3.24 1 60 HIS -2.80 -0.09 1 61 ILE -5.35 -2.39 1 62 LYS 0.83 0.30 1 65 GLU -1.28 -0.12 1 66 LYS -1.12 -0.56 1 67 ILE -2.93 -2.80 1 68 LEU 3.81 0.41 1 70 ALA -4.72 -2.04 1 71 ARG 1.35 0.56 1 73 ILE -1.35 -0.86 1 75 ILE -2.83 -1.47 1 78 VAL 1.47 2.06 1 80 ILE -3.42 -3.53 1 82 ILE -4.40 -1.53 1 83 ASP -1.95 -1.78 1 84 GLU 1.90 2.21 1 85 GLU 2.28 2.17 1 86 ARG -0.07 0.19 1 87 SER 2.17 0.61 1 88 THR -5.77 -3.47 1 89 VAL -5.76 -3.28 1 90 MET -5.57 -1.31 1 91 ILE -4.72 -1.45 1 93 TYR -3.48 -1.24 1 94 THR 0.78 0.81 1 95 LYS -4.21 -1.64 1 98 TYR -0.53 1.17 1 100 THR 0.38 0.93 1 101 ALA -7.16 -2.91 1 102 VAL 0.12 0.06 1 103 VAL -4.84 -2.91 1 104 GLU -6.75 -2.81 1 105 LEU -2.16 -0.48 1 107 VAL -7.00 -3.55 1 108 ASP 0.07 0.58 1 110 GLU 3.97 3.07 1 111 GLU 2.22 1.19 1 112 ILE 6.56 4.77 1 113 GLU 4.05 3.24 1 114 ARG 3.95 3.43 1 115 ILE 4.96 4.22 1 116 LEU 3.91 2.41 1 117 GLU 2.04 2.11 1 118 VAL -0.21 -0.97 1 119 ALA -1.53 -0.44 1 120 GLU -3.13 -2.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 3.94 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ILE 1.80 -4.16 0 10 HIS -0.86 1.80 1 11 SER 0.10 0.08 1 12 SER 0.33 0.01 1 14 LEU -0.02 -0.01 1 15 VAL -0.26 0.07 1 17 ARG 0.43 -0.12 1 19 SER 0.13 0.09 1 20 HIS -2.26 4.09 1 21 MET 0.15 0.07 1 22 THR -0.17 0.04 1 23 PHE 0.45 0.62 1 25 LEU 3.89 -0.56 1 26 GLU 4.28 -0.56 1 27 THR 5.21 -1.28 1 28 TYR 3.93 0.22 1 29 LEU 2.99 -1.34 1 30 GLN 1.88 -0.13 1 31 GLN 0.11 0.28 1 32 SER 0.11 -0.10 1 34 GLU 0.15 -0.78 1 35 TYR -1.79 0.43 1 36 GLU -5.15 3.48 1 37 ILE -0.67 -0.55 1 38 HIS 2.62 -0.13 1 39 MET 3.84 -3.11 1 40 LYS 1.12 -2.02 1 41 ARG -3.06 2.16 1 42 ALA -5.87 3.94 1 44 PHE 5.90 0.11 1 45 ARG 5.24 -1.87 1 46 GLU 4.34 -1.09 1 48 ALA 3.74 -1.21 1 49 ALA 3.31 -1.19 1 50 MET 4.25 -0.61 1 51 ILE 6.04 -0.96 1 52 GLU 3.89 -1.21 1 53 LYS 0.91 0.55 1 54 LYS -0.56 1.55 1 55 ALA -2.11 1.84 1 56 ARG 4.14 -1.41 1 57 ARG -3.23 2.21 1 58 VAL -2.57 1.43 1 59 VAL -4.25 1.01 1 60 HIS -2.80 2.71 1 61 ILE -5.35 2.96 1 62 LYS 0.83 -0.53 1 65 GLU -1.28 1.16 1 66 LYS -1.12 0.56 1 67 ILE -2.93 0.13 1 68 LEU 3.81 -3.40 1 70 ALA -4.72 2.68 1 71 ARG 1.35 -0.79 1 73 ILE -1.35 0.49 1 75 ILE -2.83 1.36 1 78 VAL 1.47 0.59 1 80 ILE -3.42 -0.11 1 82 ILE -4.40 2.87 1 83 ASP -1.95 0.17 1 84 GLU 1.90 0.31 1 85 GLU 2.28 -0.11 1 86 ARG -0.07 0.26 1 87 SER 2.17 -1.56 1 88 THR -5.77 2.30 1 89 VAL -5.76 2.48 1 90 MET -5.57 4.26 1 91 ILE -4.72 3.27 1 93 TYR -3.48 2.24 1 94 THR 0.78 0.03 1 95 LYS -4.21 2.57 1 98 TYR -0.53 1.70 1 100 THR 0.38 0.55 1 101 ALA -7.16 4.25 1 102 VAL 0.12 -0.06 1 103 VAL -4.84 1.93 1 104 GLU -6.75 3.94 1 105 LEU -2.16 1.68 1 107 VAL -7.00 3.45 1 108 ASP 0.07 0.51 1 110 GLU 3.97 -0.90 1 111 GLU 2.22 -1.03 1 112 ILE 6.56 -1.79 1 113 GLU 4.05 -0.81 1 114 ARG 3.95 -0.52 1 115 ILE 4.96 -0.74 1 116 LEU 3.91 -1.50 1 117 GLU 2.04 0.07 1 118 VAL -0.21 -0.76 1 119 ALA -1.53 1.09 1 120 GLU -3.13 0.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 PHE 5.90 0.10 0 103 VAL -4.84 1.18 0 101 ALA -7.16 0.28 0 60 HIS -2.80 1.14 0 10 HIS -0.86 -0.07 1 11 SER 0.10 -0.01 1 12 SER 0.33 0.07 1 14 LEU -0.02 0.08 1 15 VAL -0.26 -0.34 1 17 ARG 0.43 0.06 1 19 SER 0.13 0.23 1 20 HIS -2.26 -0.22 1 21 MET 0.15 -0.18 1 22 THR -0.17 0.06 1 23 PHE 0.45 -0.29 1 25 LEU 3.89 0.18 1 26 GLU 4.28 0.30 1 27 THR 5.21 -0.14 1 28 TYR 3.93 -0.50 1 29 LEU 2.99 -0.40 1 30 GLN 1.88 -0.06 1 31 GLN 0.11 0.03 1 32 SER 0.11 -0.11 1 34 GLU 0.15 0.11 1 35 TYR -1.79 0.47 1 36 GLU -5.15 0.32 1 37 ILE -0.67 0.63 1 38 HIS 2.62 -0.44 1 39 MET 3.84 -0.13 1 40 LYS 1.12 -0.22 1 41 ARG -3.06 0.30 1 42 ALA -5.87 0.57 1 45 ARG 5.24 -0.27 1 46 GLU 4.34 -0.29 1 48 ALA 3.74 -0.31 1 49 ALA 3.31 -0.24 1 50 MET 4.25 -0.35 1 51 ILE 6.04 -0.13 1 52 GLU 3.89 -0.37 1 53 LYS 0.91 0.03 1 54 LYS -0.56 -0.09 1 55 ALA -2.11 0.04 1 56 ARG 4.14 -0.26 1 57 ARG -3.23 0.26 1 58 VAL -2.57 0.74 1 59 VAL -4.25 0.54 1 61 ILE -5.35 0.81 1 62 LYS 0.83 -0.05 1 65 GLU -1.28 -0.20 1 66 LYS -1.12 0.59 1 67 ILE -2.93 0.20 1 68 LEU 3.81 -0.45 1 70 ALA -4.72 0.52 1 71 ARG 1.35 -0.05 1 72 ILE 1.80 0.19 1 73 ILE -1.35 0.11 1 75 ILE -2.83 -0.15 1 78 VAL 1.47 -0.02 1 80 ILE -3.42 0.51 1 82 ILE -4.40 0.59 1 83 ASP -1.95 0.33 1 84 GLU 1.90 -0.26 1 85 GLU 2.28 -0.11 1 86 ARG -0.07 -0.10 1 87 SER 2.17 -0.55 1 88 THR -5.77 1.13 1 89 VAL -5.76 1.09 1 90 MET -5.57 1.13 1 91 ILE -4.72 0.71 1 93 TYR -3.48 0.32 1 94 THR 0.78 0.58 1 95 LYS -4.21 0.25 1 98 TYR -0.53 -0.42 1 100 THR 0.38 0.74 1 102 VAL 0.12 0.75 1 104 GLU -6.75 0.31 1 105 LEU -2.16 0.64 1 107 VAL -7.00 0.48 1 108 ASP 0.07 -0.59 1 110 GLU 3.97 -0.24 1 111 GLU 2.22 0.00 1 112 ILE 6.56 -0.65 1 113 GLU 4.05 -0.40 1 114 ARG 3.95 -0.28 1 115 ILE 4.96 -0.10 1 116 LEU 3.91 -0.38 1 117 GLU 2.04 -0.14 1 118 VAL -0.21 0.44 1 119 ALA -1.53 0.28 1 120 GLU -3.13 0.41 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 -1.94 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.50 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 2.14 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 LEU 3.89 -1.88 0 10 HIS -0.86 1.90 1 11 SER 0.10 0.23 1 12 SER 0.33 2.37 1 14 LEU -0.02 -0.54 1 17 ARG 0.43 0.82 1 19 SER 0.13 1.26 1 20 HIS -2.26 0.35 1 21 MET 0.15 -0.41 1 22 THR -0.17 -0.80 1 23 PHE 0.45 -1.57 1 26 GLU 4.28 2.14 1 27 THR 5.21 1.42 1 28 TYR 3.93 1.89 1 29 LEU 2.99 1.60 1 30 GLN 1.88 1.27 1 31 GLN 0.11 -0.03 1 32 SER 0.11 0.19 1 34 GLU 0.15 2.62 1 35 TYR -1.79 -2.59 1 36 GLU -5.15 -1.60 1 37 ILE -0.67 -0.18 1 38 HIS 2.62 3.22 1 39 MET 3.84 -0.42 1 40 LYS 1.12 0.98 1 41 ARG -3.06 -0.24 1 42 ALA -5.87 -0.49 1 44 PHE 5.90 0.15 1 45 ARG 5.24 2.78 1 46 GLU 4.34 2.95 1 48 ALA 3.74 0.84 1 49 ALA 3.31 1.28 1 50 MET 4.25 1.50 1 51 ILE 6.04 0.83 1 52 GLU 3.89 1.97 1 53 LYS 0.91 2.01 1 54 LYS -0.56 0.92 1 55 ALA -2.11 0.40 1 56 ARG 4.14 -0.58 1 57 ARG -3.23 -1.35 1 58 VAL -2.57 -0.37 1 59 VAL -4.25 -2.64 1 60 HIS -2.80 0.10 1 61 ILE -5.35 -1.00 1 65 GLU -1.28 -1.48 1 66 LYS -1.12 -0.33 1 67 ILE -2.93 -1.65 1 68 LEU 3.81 -0.78 1 70 ALA -4.72 -1.94 1 71 ARG 1.35 -0.08 1 72 ILE 1.80 0.25 1 73 ILE -1.35 -2.08 1 80 ILE -3.42 -0.26 1 82 ILE -4.40 -1.96 1 83 ASP -1.95 1.14 1 84 GLU 1.90 0.70 1 85 GLU 2.28 1.90 1 86 ARG -0.07 -0.81 1 87 SER 2.17 -1.16 1 88 THR -5.77 -0.47 1 89 VAL -5.76 -2.90 1 90 MET -5.57 -1.29 1 93 TYR -3.48 -1.59 1 94 THR 0.78 0.88 1 98 TYR -0.53 -0.78 1 100 THR 0.38 -1.32 1 101 ALA -7.16 -0.40 1 102 VAL 0.12 -1.11 1 103 VAL -4.84 -2.15 1 104 GLU -6.75 -1.75 1 107 VAL -7.00 -1.09 1 110 GLU 3.97 2.59 1 111 GLU 2.22 2.96 1 112 ILE 6.56 2.01 1 113 GLU 4.05 2.40 1 114 ARG 3.95 3.05 1 115 ILE 4.96 1.43 1 116 LEU 3.91 0.24 1 117 GLU 2.04 1.70 1 118 VAL -0.21 -0.13 1 119 ALA -1.53 -0.91 1 stop_ save_