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 bmr19752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 -2.81 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 3.50 _LACS_plot.Line_2_terminator_val_y_2 2.08 _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 46 TYR -6.91 -1.59 0 87 GLU -6.44 -0.83 0 11 THR -0.18 -0.02 1 12 SER -0.06 0.13 1 13 SER 0.24 0.31 1 14 SER 0.33 0.33 1 15 THR 0.56 0.36 1 16 VAL 0.47 0.31 1 17 VAL 0.30 0.08 1 18 LYS -0.05 0.00 1 19 ASP 0.06 0.18 1 21 LYS 0.39 0.38 1 22 THR 0.14 0.08 1 24 SER 0.26 0.25 1 25 ALA -0.06 0.13 1 26 SER -0.18 -0.06 1 27 THR 0.05 -0.05 1 29 ALA -0.02 0.16 1 30 THR -0.14 -0.14 1 31 ARG -0.12 0.05 1 33 VAL 0.56 0.41 1 34 THR 0.00 -0.10 1 36 SER -0.43 -0.04 1 37 TRP -0.82 0.59 1 38 LYS -4.60 -1.04 1 39 LYS -2.14 -1.88 1 40 ASN -2.52 -2.26 1 41 GLN 3.51 2.06 1 42 TYR -0.10 -0.78 1 44 THR 1.14 0.33 1 45 TRP -1.93 -0.89 1 47 LYS -2.01 -0.49 1 49 GLU -2.06 1.27 1 50 ASN -2.16 -1.41 1 51 ALA -1.47 -0.90 1 52 THR -0.84 0.43 1 53 PHE -6.03 -2.43 1 54 VAL -0.89 -2.05 1 55 ASN 0.74 0.49 1 57 ASN 1.38 1.11 1 58 GLN -2.84 -1.07 1 60 ILE -4.35 -0.41 1 61 VAL 3.05 2.08 1 62 THR -1.84 -0.51 1 63 ARG -6.05 -3.35 1 64 ILE -0.36 -0.91 1 66 SER -0.63 -0.19 1 68 PHE -5.83 -2.07 1 69 LEU 2.66 1.13 1 70 ASN -0.18 -1.43 1 71 ALA 1.23 0.97 1 73 VAL 1.26 1.08 1 76 ASN -1.13 -0.82 1 77 LEU -2.26 -0.89 1 79 ALA 1.53 0.68 1 81 ALA -1.48 0.27 1 82 THR -0.44 0.32 1 83 ILE -6.19 -2.76 1 84 VAL 1.17 -0.07 1 85 TYR -5.57 -2.09 1 86 ASP -2.48 0.00 1 88 VAL -5.17 -2.43 1 90 ILE -2.23 0.46 1 91 GLN -2.27 -0.48 1 92 ALA 1.80 0.97 1 94 HIS -1.51 1.22 1 95 ILE -0.10 -0.12 1 96 TRP -5.43 -3.26 1 97 ILE -2.77 -1.92 1 99 TYR -2.99 -1.64 1 100 ASN -1.59 -1.11 1 101 ALA -2.83 -1.29 1 102 TYR 3.39 2.24 1 103 ASN 0.81 -0.85 1 105 ASN -0.15 -0.07 1 106 ARG -1.05 -1.34 1 107 VAL -3.10 -1.52 1 108 TYR -4.97 -1.33 1 111 VAL -1.73 -1.11 1 112 ARG -2.80 -1.55 1 113 THR -0.03 0.67 1 115 GLN -3.24 -1.46 1 117 VAL -1.79 -1.84 1 120 ASN -0.31 0.02 1 121 HIS -1.01 0.70 1 122 ILE -1.64 -0.57 1 125 VAL 2.22 1.44 1 126 ALA -1.36 0.17 1 127 TRP -0.42 -1.87 1 129 VAL -4.19 -1.54 1 130 PHE -1.59 -0.52 1 131 LYS -0.99 0.93 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 4.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.96 _LACS_plot.Line_2_terminator_val_x_2 3.50 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _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 46 TYR -6.91 5.32 0 87 GLU -6.44 5.61 0 11 THR -0.18 0.16 1 12 SER -0.06 0.19 1 13 SER 0.24 0.07 1 14 SER 0.33 0.00 1 15 THR 0.56 -0.20 1 16 VAL 0.47 -0.16 1 17 VAL 0.30 -0.22 1 18 LYS -0.05 0.05 1 19 ASP 0.06 0.12 1 21 LYS 0.39 -0.01 1 22 THR 0.14 -0.06 1 24 SER 0.26 -0.01 1 25 ALA -0.06 0.19 1 26 SER -0.18 0.12 1 27 THR 0.05 -0.10 1 29 ALA -0.02 0.18 1 30 THR -0.14 0.00 1 31 ARG -0.12 0.17 1 33 VAL 0.56 -0.15 1 34 THR 0.00 -0.10 1 36 SER -0.43 0.39 1 37 TRP -0.82 1.41 1 38 LYS -4.60 3.56 1 39 LYS -2.14 0.26 1 40 ASN -2.52 0.26 1 41 GLN 3.51 -1.45 1 42 TYR -0.10 -0.68 1 44 THR 1.14 -0.81 1 45 TRP -1.93 1.04 1 47 LYS -2.01 1.52 1 49 GLU -2.06 3.33 1 50 ASN -2.16 0.75 1 51 ALA -1.47 0.57 1 52 THR -0.84 1.27 1 53 PHE -6.03 3.60 1 54 VAL -0.89 -1.16 1 55 ASN 0.74 -0.25 1 57 ASN 1.38 -0.27 1 58 GLN -2.84 1.77 1 60 ILE -4.35 3.94 1 61 VAL 3.05 -0.97 1 62 THR -1.84 1.33 1 63 ARG -6.05 2.70 1 64 ILE -0.36 -0.55 1 66 SER -0.63 0.44 1 68 PHE -5.83 3.76 1 69 LEU 2.66 -1.53 1 70 ASN -0.18 -1.25 1 71 ALA 1.23 -0.26 1 73 VAL 1.26 -0.18 1 76 ASN -1.13 0.31 1 77 LEU -2.26 1.37 1 79 ALA 1.53 -0.85 1 81 ALA -1.48 1.75 1 82 THR -0.44 0.76 1 83 ILE -6.19 3.43 1 84 VAL 1.17 -1.24 1 85 TYR -5.57 3.48 1 86 ASP -2.48 2.48 1 88 VAL -5.17 2.74 1 90 ILE -2.23 2.69 1 91 GLN -2.27 1.79 1 92 ALA 1.80 -0.83 1 94 HIS -1.51 2.73 1 95 ILE -0.10 -0.02 1 96 TRP -5.43 2.17 1 97 ILE -2.77 0.85 1 99 TYR -2.99 1.35 1 100 ASN -1.59 0.48 1 101 ALA -2.83 1.54 1 102 TYR 3.39 -1.15 1 103 ASN 0.81 -1.66 1 105 ASN -0.15 0.08 1 106 ARG -1.05 -0.29 1 107 VAL -3.10 1.58 1 108 TYR -4.97 3.64 1 111 VAL -1.73 0.62 1 112 ARG -2.80 1.25 1 113 THR -0.03 0.70 1 115 GLN -3.24 1.78 1 117 VAL -1.79 -0.05 1 120 ASN -0.31 0.33 1 121 HIS -1.01 1.71 1 122 ILE -1.64 1.07 1 125 VAL 2.22 -0.78 1 126 ALA -1.36 1.53 1 127 TRP -0.42 -1.45 1 129 VAL -4.19 2.65 1 130 PHE -1.59 1.07 1 131 LYS -0.99 1.92 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 0.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 3.50 _LACS_plot.Line_2_terminator_val_y_2 -0.27 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 ARG -2.80 -1.18 0 11 THR -0.18 0.05 1 12 SER -0.06 0.03 1 13 SER 0.24 0.05 1 14 SER 0.33 0.07 1 15 THR 0.56 -0.01 1 16 VAL 0.47 -0.02 1 17 VAL 0.30 -0.04 1 18 LYS -0.05 0.02 1 19 ASP 0.06 -0.08 1 21 LYS 0.39 0.07 1 22 THR 0.14 0.04 1 24 SER 0.26 0.02 1 25 ALA -0.06 0.06 1 26 SER -0.18 0.02 1 27 THR 0.05 0.02 1 29 ALA -0.02 0.03 1 30 THR -0.14 -0.07 1 31 ARG -0.12 0.00 1 33 VAL 0.56 0.09 1 34 THR 0.00 0.03 1 36 SER -0.43 -0.01 1 37 TRP -0.82 -0.13 1 38 LYS -4.60 0.31 1 39 LYS -2.14 0.42 1 40 ASN -2.52 0.32 1 41 GLN 3.51 -0.28 1 42 TYR -0.10 0.10 1 44 THR 1.14 -0.17 1 45 TRP -1.93 1.02 1 46 TYR -6.91 1.79 1 47 LYS -2.01 0.16 1 49 GLU -2.06 -0.36 1 50 ASN -2.16 0.66 1 51 ALA -1.47 0.13 1 52 THR -0.84 0.82 1 53 PHE -6.03 0.70 1 54 VAL -0.89 0.20 1 55 ASN 0.74 -0.58 1 57 ASN 1.38 -0.23 1 58 GLN -2.84 0.31 1 60 ILE -4.35 0.10 1 61 VAL 3.05 -0.01 1 62 THR -1.84 0.67 1 63 ARG -6.05 1.09 1 64 ILE -0.36 0.29 1 66 SER -0.63 -0.62 1 68 PHE -5.83 -0.13 1 69 LEU 2.66 -0.03 1 70 ASN -0.18 0.10 1 71 ALA 1.23 -0.06 1 73 VAL 1.26 0.16 1 76 ASN -1.13 0.68 1 77 LEU -2.26 0.19 1 79 ALA 1.53 -0.06 1 81 ALA -1.48 -0.07 1 82 THR -0.44 0.82 1 83 ILE -6.19 0.23 1 84 VAL 1.17 0.55 1 85 TYR -5.57 0.87 1 86 ASP -2.48 0.83 1 87 GLU -6.44 0.77 1 88 VAL -5.17 1.59 1 90 ILE -2.23 1.06 1 91 GLN -2.27 0.28 1 92 ALA 1.80 0.20 1 94 HIS -1.51 0.10 1 95 ILE -0.10 1.04 1 96 TRP -5.43 0.82 1 97 ILE -2.77 1.30 1 99 TYR -2.99 0.36 1 100 ASN -1.59 0.55 1 101 ALA -2.83 0.32 1 102 TYR 3.39 -0.21 1 103 ASN 0.81 -0.33 1 105 ASN -0.15 -0.16 1 106 ARG -1.05 0.22 1 107 VAL -3.10 0.43 1 108 TYR -4.97 0.94 1 111 VAL -1.73 0.29 1 113 THR -0.03 -0.11 1 115 GLN -3.24 0.29 1 117 VAL -1.79 -0.30 1 120 ASN -0.31 0.16 1 121 HIS -1.01 -0.30 1 122 ILE -1.64 -0.11 1 125 VAL 2.22 -0.20 1 126 ALA -1.36 0.17 1 127 TRP -0.42 0.45 1 129 VAL -4.19 0.22 1 130 PHE -1.59 0.92 1 131 LYS -0.99 0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 -1.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 3.50 _LACS_plot.Line_2_terminator_val_y_2 0.17 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 LYS -0.99 3.89 0 49 GLU -2.06 -5.67 0 11 THR -0.18 0.02 1 12 SER -0.06 0.17 1 13 SER 0.24 0.07 1 14 SER 0.33 0.14 1 15 THR 0.56 -0.39 1 16 VAL 0.47 -0.37 1 17 VAL 0.30 -0.20 1 18 LYS -0.05 -0.46 1 19 ASP 0.06 0.40 1 21 LYS 0.39 0.44 1 22 THR 0.14 -0.09 1 24 SER 0.26 -0.30 1 25 ALA -0.06 -0.14 1 26 SER -0.18 -0.31 1 27 THR 0.05 -0.42 1 29 ALA -0.02 0.17 1 30 THR -0.14 -0.44 1 31 ARG -0.12 -0.41 1 33 VAL 0.56 0.37 1 34 THR 0.00 0.09 1 36 SER -0.43 -0.72 1 37 TRP -0.82 0.40 1 38 LYS -4.60 -3.76 1 39 LYS -2.14 0.91 1 40 ASN -2.52 2.32 1 41 GLN 3.51 -0.17 1 42 TYR -0.10 -0.12 1 44 THR 1.14 -0.73 1 45 TRP -1.93 -0.10 1 46 TYR -6.91 -2.24 1 47 LYS -2.01 -2.34 1 50 ASN -2.16 -1.55 1 51 ALA -1.47 -4.93 1 52 THR -0.84 -1.85 1 53 PHE -6.03 -2.87 1 54 VAL -0.89 -0.46 1 55 ASN 0.74 1.13 1 57 ASN 1.38 -0.46 1 58 GLN -2.84 -1.80 1 60 ILE -4.35 -1.21 1 61 VAL 3.05 -0.33 1 62 THR -1.84 0.24 1 63 ARG -6.05 -0.69 1 64 ILE -0.36 2.81 1 66 SER -0.63 -2.82 1 68 PHE -5.83 1.26 1 69 LEU 2.66 -1.27 1 70 ASN -0.18 0.42 1 71 ALA 1.23 -1.63 1 73 VAL 1.26 1.56 1 76 ASN -1.13 0.56 1 77 LEU -2.26 -1.33 1 79 ALA 1.53 2.18 1 81 ALA -1.48 -2.09 1 82 THR -0.44 -0.08 1 83 ILE -6.19 -2.47 1 84 VAL 1.17 -0.80 1 85 TYR -5.57 -1.63 1 86 ASP -2.48 1.64 1 87 GLU -6.44 -2.99 1 88 VAL -5.17 -0.82 1 90 ILE -2.23 -0.19 1 91 GLN -2.27 0.02 1 92 ALA 1.80 0.71 1 94 HIS -1.51 -0.53 1 95 ILE -0.10 -1.84 1 96 TRP -5.43 0.12 1 97 ILE -2.77 -1.12 1 99 TYR -2.99 -3.27 1 100 ASN -1.59 0.11 1 101 ALA -2.83 1.29 1 102 TYR 3.39 0.09 1 103 ASN 0.81 0.76 1 105 ASN -0.15 -1.39 1 106 ARG -1.05 -1.94 1 107 VAL -3.10 -4.01 1 108 TYR -4.97 -0.68 1 111 VAL -1.73 -2.70 1 112 ARG -2.80 -0.82 1 113 THR -0.03 -0.58 1 115 GLN -3.24 -0.54 1 117 VAL -1.79 -3.04 1 120 ASN -0.31 -2.24 1 121 HIS -1.01 0.69 1 122 ILE -1.64 -0.28 1 125 VAL 2.22 -0.15 1 126 ALA -1.36 1.65 1 127 TRP -0.42 -1.42 1 129 VAL -4.19 -3.05 1 130 PHE -1.59 -0.03 1 stop_ save_