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 bmr17022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.46 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.07 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 5.24 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ASP -1.44 1.75 0 87 ASP 0.70 -1.69 0 10 ALA -1.60 -0.61 1 11 ASP 2.41 2.34 1 12 ASP -5.29 -2.62 1 13 PHE -0.23 0.44 1 14 ASP -1.52 -1.49 1 15 GLU 3.90 2.58 1 16 SER -0.89 -0.11 1 18 TRP -4.34 -1.32 1 19 LYS -3.35 -1.43 1 21 THR -4.30 -1.90 1 22 VAL -3.85 -0.69 1 23 THR -0.99 -0.07 1 24 ILE -5.03 -0.90 1 25 GLU -3.60 -1.51 1 26 VAL -2.66 -1.56 1 27 LYS -4.45 -0.80 1 28 ASN 2.64 1.19 1 30 LYS -4.70 -2.47 1 31 ILE 2.56 2.51 1 32 VAL -1.47 -0.81 1 33 SER -1.63 -0.49 1 34 VAL -4.29 -1.72 1 35 ASP -4.10 -2.11 1 36 TRP -2.74 -2.22 1 37 ASN -5.46 -2.19 1 38 ALA -3.45 0.35 1 39 ILE -4.34 -1.79 1 40 ASN -2.32 -0.48 1 41 LYS 4.64 2.80 1 42 ASP 0.01 -0.29 1 45 ASP 0.22 1.55 1 46 ASP -1.23 -1.17 1 47 LYS 5.38 4.59 1 48 ASP 4.21 4.32 1 49 THR 6.87 5.37 1 50 LEU 1.84 2.47 1 51 SER 3.96 2.96 1 52 ARG 4.70 3.45 1 53 ASN 0.10 -0.24 1 56 TYR -1.82 -0.70 1 57 LYS -1.69 -1.42 1 58 MET -0.89 -0.20 1 59 VAL 0.89 0.49 1 60 GLU -1.10 -0.29 1 61 TYR 0.56 0.47 1 64 ALA 0.11 0.06 1 65 GLN -0.53 -0.44 1 66 ALA -1.94 -0.81 1 67 GLU -1.33 -0.75 1 68 TRP -4.57 -3.35 1 72 ALA 4.58 2.68 1 73 GLU 2.49 2.14 1 74 LYS 3.21 2.10 1 75 VAL 5.48 4.14 1 76 GLU 3.75 2.87 1 77 ALA 3.16 2.19 1 78 TYR 4.08 3.68 1 79 LEU 4.88 2.65 1 80 VAL 6.38 4.69 1 81 GLU 3.36 2.95 1 82 LYS 0.11 0.25 1 83 GLN 6.09 2.75 1 84 ASP -3.58 -1.88 1 86 THR 0.10 -0.01 1 88 ILE -4.58 -3.99 1 89 LYS -3.93 -2.38 1 90 TYR -1.30 0.02 1 91 LYS -1.48 -0.87 1 92 ASP -2.86 -1.99 1 93 ASN 1.72 1.06 1 94 ASP -0.77 0.27 1 96 HIS 3.11 2.98 1 97 THR -1.99 -0.99 1 98 ASP -0.57 0.17 1 99 ALA 0.10 1.41 1 100 ILE -1.48 -1.52 1 101 SER 3.31 2.03 1 103 ALA -1.35 -2.10 1 104 THR 0.17 -0.32 1 105 ILE -1.27 -0.03 1 106 LYS 2.49 2.01 1 107 VAL -1.89 -1.41 1 108 LYS 2.66 3.24 1 109 LYS 3.82 3.03 1 110 PHE 6.96 3.26 1 111 PHE 7.41 6.05 1 112 ASP 4.60 3.30 1 113 LEU 3.28 2.06 1 114 ALA 4.06 2.44 1 115 GLN 4.26 3.16 1 116 LYS 3.89 3.41 1 117 ALA 3.70 2.31 1 118 LEU 0.90 -0.08 1 119 LYS 3.97 3.02 1 120 ASP 1.14 0.94 1 121 ALA 1.02 0.94 1 122 GLU -0.68 -0.46 1 123 LYS 0.65 0.53 1 124 LEU 0.13 0.04 1 125 GLU -0.61 -0.15 1 126 HIS -0.48 0.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.46 _LACS_plot.Line_1_terminator_val_y_1 2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.93 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -2.16 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ASP -1.44 3.19 0 87 ASP 0.70 -2.39 0 10 ALA -1.60 0.99 1 11 ASP 2.41 -0.07 1 12 ASP -5.29 2.67 1 13 PHE -0.23 0.67 1 14 ASP -1.52 0.03 1 15 GLU 3.90 -1.32 1 16 SER -0.89 0.78 1 18 TRP -4.34 3.02 1 19 LYS -3.35 1.92 1 21 THR -4.30 2.40 1 22 VAL -3.85 3.16 1 23 THR -0.99 0.92 1 24 ILE -5.03 4.13 1 25 GLU -3.60 2.09 1 26 VAL -2.66 1.10 1 27 LYS -4.45 3.65 1 28 ASN 2.64 -1.45 1 30 LYS -4.70 2.23 1 31 ILE 2.56 -0.05 1 32 VAL -1.47 0.66 1 33 SER -1.63 1.14 1 34 VAL -4.29 2.57 1 35 ASP -4.10 1.99 1 36 TRP -2.74 0.52 1 37 ASN -5.46 3.27 1 38 ALA -3.45 3.80 1 39 ILE -4.34 2.55 1 40 ASN -2.32 1.84 1 41 LYS 4.64 -1.84 1 42 ASP 0.01 -0.30 1 45 ASP 0.22 1.33 1 46 ASP -1.23 0.06 1 47 LYS 5.38 -0.79 1 48 ASP 4.21 0.11 1 49 THR 6.87 -1.50 1 50 LEU 1.84 0.63 1 51 SER 3.96 -1.00 1 52 ARG 4.70 -1.25 1 53 ASN 0.10 -0.34 1 56 TYR -1.82 1.12 1 57 LYS -1.69 0.27 1 58 MET -0.89 0.69 1 59 VAL 0.89 -0.40 1 60 GLU -1.10 0.81 1 61 TYR 0.56 -0.09 1 64 ALA 0.11 -0.05 1 65 GLN -0.53 0.09 1 66 ALA -1.94 1.13 1 67 GLU -1.33 0.58 1 68 TRP -4.57 1.22 1 72 ALA 4.58 -1.90 1 73 GLU 2.49 -0.35 1 74 LYS 3.21 -1.11 1 75 VAL 5.48 -1.34 1 76 GLU 3.75 -0.88 1 77 ALA 3.16 -0.97 1 78 TYR 4.08 -0.40 1 79 LEU 4.88 -2.23 1 80 VAL 6.38 -1.69 1 81 GLU 3.36 -0.41 1 82 LYS 0.11 0.14 1 83 GLN 6.09 -3.34 1 84 ASP -3.58 1.70 1 86 THR 0.10 -0.11 1 88 ILE -4.58 0.59 1 89 LYS -3.93 1.55 1 90 TYR -1.30 1.32 1 91 LYS -1.48 0.61 1 92 ASP -2.86 0.87 1 93 ASN 1.72 -0.66 1 94 ASP -0.77 1.04 1 96 HIS 3.11 -0.13 1 97 THR -1.99 1.00 1 98 ASP -0.57 0.74 1 99 ALA 0.10 1.31 1 100 ILE -1.48 -0.04 1 101 SER 3.31 -1.28 1 103 ALA -1.35 -0.75 1 104 THR 0.17 -0.49 1 105 ILE -1.27 1.24 1 106 LYS 2.49 -0.48 1 107 VAL -1.89 0.48 1 108 LYS 2.66 0.58 1 109 LYS 3.82 -0.79 1 110 PHE 6.96 -3.70 1 111 PHE 7.41 -1.36 1 112 ASP 4.60 -1.30 1 113 LEU 3.28 -1.22 1 114 ALA 4.06 -1.62 1 115 GLN 4.26 -1.10 1 116 LYS 3.89 -0.48 1 117 ALA 3.70 -1.39 1 118 LEU 0.90 -0.98 1 119 LYS 3.97 -0.95 1 120 ASP 1.14 -0.20 1 121 ALA 1.02 -0.08 1 122 GLU -0.68 0.22 1 123 LYS 0.65 -0.12 1 124 LEU 0.13 -0.09 1 125 GLU -0.61 0.46 1 126 HIS -0.48 1.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.46 _LACS_plot.Line_1_terminator_val_y_1 0.63 _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 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _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 68 TRP -4.57 1.36 0 41 LYS 4.64 -1.41 0 47 LYS 5.38 -1.48 0 110 PHE 6.96 -1.58 0 10 ALA -1.60 -0.15 1 11 ASP 2.41 -0.40 1 12 ASP -5.29 0.01 1 13 PHE -0.23 -0.46 1 14 ASP -1.52 0.03 1 15 GLU 3.90 -0.15 1 16 SER -0.89 0.24 1 18 TRP -4.34 0.76 1 19 LYS -3.35 0.41 1 20 ASP -1.44 0.42 1 21 THR -4.30 0.64 1 22 VAL -3.85 1.01 1 23 THR -0.99 0.95 1 24 ILE -5.03 0.65 1 25 GLU -3.60 0.94 1 26 VAL -2.66 0.88 1 27 LYS -4.45 0.20 1 28 ASN 2.64 -0.29 1 30 LYS -4.70 0.37 1 31 ILE 2.56 0.06 1 32 VAL -1.47 0.49 1 33 SER -1.63 0.17 1 34 VAL -4.29 0.69 1 35 ASP -4.10 0.63 1 36 TRP -2.74 -0.37 1 37 ASN -5.46 0.22 1 38 ALA -3.45 0.92 1 39 ILE -4.34 0.77 1 40 ASN -2.32 -0.10 1 42 ASP 0.01 -0.04 1 45 ASP 0.22 -0.06 1 46 ASP -1.23 0.38 1 48 ASP 4.21 -0.15 1 49 THR 6.87 -0.68 1 50 LEU 1.84 -0.12 1 51 SER 3.96 0.11 1 52 ARG 4.70 -0.85 1 53 ASN 0.10 0.10 1 56 TYR -1.82 0.25 1 57 LYS -1.69 0.08 1 58 MET -0.89 -0.17 1 59 VAL 0.89 -0.03 1 60 GLU -1.10 -0.03 1 61 TYR 0.56 -0.05 1 64 ALA 0.11 -0.01 1 65 GLN -0.53 0.00 1 66 ALA -1.94 0.07 1 67 GLU -1.33 0.11 1 72 ALA 4.58 -0.79 1 73 GLU 2.49 0.01 1 74 LYS 3.21 -0.22 1 75 VAL 5.48 -0.66 1 76 GLU 3.75 -0.82 1 77 ALA 3.16 -0.23 1 78 TYR 4.08 -0.25 1 79 LEU 4.88 -0.04 1 80 VAL 6.38 -0.83 1 81 GLU 3.36 -0.31 1 82 LYS 0.11 -0.27 1 83 GLN 6.09 -0.94 1 84 ASP -3.58 0.01 1 86 THR 0.10 0.03 1 87 ASP 0.70 -0.04 1 88 ILE -4.58 -0.12 1 89 LYS -3.93 0.03 1 90 TYR -1.30 0.29 1 91 LYS -1.48 0.29 1 92 ASP -2.86 0.12 1 93 ASN 1.72 -0.03 1 94 ASP -0.77 0.00 1 96 HIS 3.11 0.16 1 97 THR -1.99 0.44 1 98 ASP -0.57 0.46 1 99 ALA 0.10 -0.21 1 100 ILE -1.48 -0.02 1 101 SER 3.31 -0.36 1 103 ALA -1.35 0.82 1 104 THR 0.17 0.29 1 105 ILE -1.27 0.37 1 106 LYS 2.49 -0.57 1 107 VAL -1.89 0.91 1 108 LYS 2.66 0.45 1 109 LYS 3.82 -0.31 1 111 PHE 7.41 -1.16 1 112 ASP 4.60 -0.45 1 113 LEU 3.28 -0.50 1 114 ALA 4.06 -0.84 1 115 GLN 4.26 -0.63 1 116 LYS 3.89 -0.45 1 117 ALA 3.70 -0.37 1 118 LEU 0.90 -0.51 1 119 LYS 3.97 -0.28 1 120 ASP 1.14 0.13 1 121 ALA 1.02 -0.07 1 122 GLU -0.68 -0.02 1 123 LYS 0.65 -0.07 1 124 LEU 0.13 -0.05 1 125 GLU -0.61 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.46 _LACS_plot.Line_1_terminator_val_y_1 -1.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 2.52 _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 88 ILE -4.58 -5.18 0 83 GLN 6.09 -2.20 0 37 ASN -5.46 2.53 0 10 ALA -1.60 -1.71 1 11 ASP 2.41 -1.03 1 12 ASP -5.29 -1.21 1 13 PHE -0.23 0.11 1 14 ASP -1.52 1.43 1 15 GLU 3.90 0.95 1 16 SER -0.89 -1.09 1 18 TRP -4.34 0.57 1 19 LYS -3.35 -2.45 1 20 ASP -1.44 -2.03 1 21 THR -4.30 -1.72 1 22 VAL -3.85 -3.26 1 23 THR -0.99 0.04 1 24 ILE -5.03 -2.89 1 25 GLU -3.60 -1.16 1 26 VAL -2.66 -0.21 1 27 LYS -4.45 -0.04 1 28 ASN 2.64 1.24 1 30 LYS -4.70 -1.22 1 31 ILE 2.56 1.27 1 32 VAL -1.47 -0.62 1 33 SER -1.63 -2.67 1 34 VAL -4.29 -3.32 1 35 ASP -4.10 0.26 1 36 TRP -2.74 3.11 1 38 ALA -3.45 -2.42 1 39 ILE -4.34 -0.72 1 40 ASN -2.32 2.00 1 41 LYS 4.64 -0.34 1 42 ASP 0.01 0.08 1 45 ASP 0.22 0.14 1 46 ASP -1.23 -1.62 1 47 LYS 5.38 0.95 1 48 ASP 4.21 2.19 1 49 THR 6.87 1.81 1 50 LEU 1.84 2.12 1 51 SER 3.96 4.64 1 52 ARG 4.70 1.44 1 53 ASN 0.10 1.00 1 56 TYR -1.82 0.60 1 57 LYS -1.69 -1.45 1 58 MET -0.89 -0.21 1 59 VAL 0.89 -0.04 1 60 GLU -1.10 -0.75 1 61 TYR 0.56 0.59 1 64 ALA 0.11 -0.31 1 65 GLN -0.53 -0.97 1 66 ALA -1.94 -0.83 1 67 GLU -1.33 0.89 1 72 ALA 4.58 1.92 1 73 GLU 2.49 3.41 1 74 LYS 3.21 2.77 1 75 VAL 5.48 0.43 1 76 GLU 3.75 1.89 1 77 ALA 3.16 2.68 1 78 TYR 4.08 1.24 1 79 LEU 4.88 1.12 1 80 VAL 6.38 1.66 1 81 GLU 3.36 2.12 1 82 LYS 0.11 2.53 1 84 ASP -3.58 0.68 1 86 THR 0.10 0.62 1 87 ASP 0.70 -3.08 1 89 LYS -3.93 -1.04 1 90 TYR -1.30 -0.11 1 91 LYS -1.48 -1.98 1 92 ASP -2.86 -0.27 1 93 ASN 1.72 0.55 1 94 ASP -0.77 -0.62 1 96 HIS 3.11 0.35 1 97 THR -1.99 -3.36 1 98 ASP -0.57 0.90 1 99 ALA 0.10 -1.48 1 100 ILE -1.48 -1.54 1 101 SER 3.31 1.31 1 103 ALA -1.35 -1.30 1 104 THR 0.17 1.27 1 105 ILE -1.27 -0.49 1 106 LYS 2.49 2.42 1 107 VAL -1.89 -0.10 1 108 LYS 2.66 0.48 1 109 LYS 3.82 1.83 1 110 PHE 6.96 -0.12 1 111 PHE 7.41 2.63 1 112 ASP 4.60 3.65 1 113 LEU 3.28 0.60 1 114 ALA 4.06 1.04 1 115 GLN 4.26 2.49 1 116 LYS 3.89 2.42 1 117 ALA 3.70 1.57 1 118 LEU 0.90 0.54 1 119 LYS 3.97 1.48 1 120 ASP 1.14 0.31 1 121 ALA 1.02 -0.01 1 122 GLU -0.68 -0.10 1 123 LYS 0.65 -0.10 1 124 LEU 0.13 -0.34 1 125 GLU -0.61 -0.51 1 126 HIS -0.48 0.76 1 stop_ save_