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 bmr18196_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 4.73 _LACS_plot.Line_2_terminator_val_y_2 2.23 _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 13 GLU 1.80 2.86 0 91 ASP -5.50 0.14 0 93 TRP -6.06 -4.79 0 10 GLU -0.12 0.21 1 11 ASN 0.52 0.42 1 12 GLN -0.45 -0.11 1 14 VAL -4.07 -2.60 1 15 VAL -4.76 -1.89 1 16 LEU -4.46 -2.01 1 17 SER -4.11 -2.32 1 18 ILE -3.75 -0.23 1 19 ASP -3.71 -1.36 1 20 ALA -3.45 -2.30 1 21 ILE -3.34 -1.13 1 22 GLN 2.48 0.66 1 23 GLU 0.61 0.62 1 25 GLU -2.56 -1.62 1 26 GLN -2.04 -1.65 1 27 ILE -1.58 -2.69 1 28 LYS -3.49 -1.81 1 29 PHE -3.22 -1.91 1 31 MET 1.60 -0.59 1 32 SER -2.45 -1.16 1 33 LEU -4.31 -1.78 1 34 LYS -4.10 -1.36 1 35 ASN -0.07 -1.27 1 36 GLN -0.32 -1.25 1 37 SER -2.08 -0.21 1 38 GLU -0.17 -0.04 1 39 ARG -5.07 -2.28 1 40 ALA -0.50 -0.68 1 41 ILE -3.26 -0.65 1 42 GLU -3.50 -2.20 1 43 PHE -2.98 -0.71 1 44 GLN -3.49 -1.15 1 45 PHE -3.87 -1.88 1 46 SER 1.21 1.36 1 47 THR -6.53 -2.76 1 49 GLN 2.20 -0.18 1 50 LYS 0.62 0.45 1 51 PHE -4.00 -2.62 1 52 GLU -6.96 -3.11 1 53 LEU -3.20 0.49 1 54 VAL -5.45 -2.46 1 55 VAL -3.06 -2.00 1 56 TYR -6.21 -1.86 1 57 ASP -4.07 -2.34 1 58 SER 3.99 2.81 1 59 GLU -0.47 -0.94 1 60 HIS 4.73 2.35 1 61 LYS 3.48 0.61 1 62 GLU 0.40 0.44 1 63 ARG -3.56 -2.75 1 64 TYR -1.54 -0.56 1 65 ARG -4.55 -1.72 1 66 TYR 1.54 2.46 1 67 SER 4.40 2.61 1 68 LYS 2.78 2.37 1 69 GLU 3.24 0.99 1 70 LYS -2.99 -0.71 1 71 MET -2.37 -1.58 1 72 PHE -2.71 -1.01 1 73 THR 0.95 0.63 1 74 GLN 0.78 -0.64 1 75 ALA -2.43 -0.94 1 76 PHE -0.72 -0.58 1 77 GLN -4.60 -1.09 1 78 ASN -3.20 -0.51 1 79 LEU -5.08 -0.11 1 80 THR 0.35 0.39 1 81 LEU -4.73 -2.44 1 82 GLU 0.04 -0.29 1 83 SER 3.17 2.14 1 85 GLU -2.13 -0.20 1 86 THR -3.10 -1.77 1 87 TYR -3.40 -0.86 1 88 ASP -2.55 -1.21 1 89 PHE -1.54 -2.02 1 90 SER -4.58 -1.21 1 92 VAL -4.16 -1.73 1 94 LYS 2.88 0.37 1 95 GLU -3.85 -1.98 1 96 VAL 0.37 -0.27 1 98 GLU 3.81 0.73 1 101 THR 1.02 0.80 1 102 TYR -5.41 -1.40 1 103 GLU -5.95 -1.55 1 104 VAL -6.64 -4.57 1 105 LYS -4.47 -1.73 1 106 VAL -3.40 -1.71 1 107 THR -2.27 -1.04 1 108 PHE 0.10 0.85 1 109 LYS 1.95 -0.66 1 111 ARG -2.86 -1.45 1 112 ALA -5.96 -2.16 1 113 GLU 1.58 1.21 1 114 ASN 2.44 1.37 1 115 LEU -3.13 -0.80 1 116 LYS 0.34 0.13 1 117 GLN 0.54 1.17 1 118 VAL 1.53 0.95 1 119 GLN -6.40 -1.82 1 120 ALA -5.10 -0.61 1 121 VAL -4.36 -2.11 1 122 GLN -5.40 -1.29 1 123 GLN -1.40 -0.18 1 124 PHE -3.32 -1.32 1 125 GLU -4.43 -1.68 1 126 VAL -1.21 -0.27 1 127 LYS -0.78 0.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18196_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 4.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _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 4.73 _LACS_plot.Line_2_terminator_val_y_2 -2.50 _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 13 GLU 1.80 1.06 0 91 ASP -5.50 5.64 0 93 TRP -6.06 1.27 0 10 GLU -0.12 0.33 1 11 ASN 0.52 -0.10 1 12 GLN -0.45 0.34 1 14 VAL -4.07 1.47 1 15 VAL -4.76 2.87 1 16 LEU -4.46 2.45 1 17 SER -4.11 1.79 1 18 ILE -3.75 3.52 1 19 ASP -3.71 2.35 1 20 ALA -3.45 1.15 1 21 ILE -3.34 2.21 1 22 GLN 2.48 -1.82 1 23 GLU 0.61 0.01 1 25 GLU -2.56 0.94 1 26 GLN -2.04 0.39 1 27 ILE -1.58 -1.11 1 28 LYS -3.49 1.68 1 29 PHE -3.22 1.31 1 31 MET 1.60 -2.19 1 32 SER -2.45 1.29 1 33 LEU -4.31 2.53 1 34 LYS -4.10 2.74 1 35 ASN -0.07 -1.20 1 36 GLN -0.32 -0.93 1 37 SER -2.08 1.87 1 38 GLU -0.17 0.13 1 39 ARG -5.07 2.79 1 40 ALA -0.50 -0.18 1 41 ILE -3.26 2.61 1 42 GLU -3.50 1.30 1 43 PHE -2.98 2.27 1 44 GLN -3.49 2.34 1 45 PHE -3.87 1.99 1 46 SER 1.21 0.15 1 47 THR -6.53 3.77 1 49 GLN 2.20 -2.38 1 50 LYS 0.62 -0.17 1 51 PHE -4.00 1.38 1 52 GLU -6.96 3.85 1 53 LEU -3.20 3.69 1 54 VAL -5.45 2.99 1 55 VAL -3.06 1.06 1 56 TYR -6.21 4.35 1 57 ASP -4.07 1.73 1 58 SER 3.99 -1.18 1 59 GLU -0.47 -0.47 1 60 HIS 4.73 -2.38 1 61 LYS 3.48 -2.87 1 62 GLU 0.40 0.04 1 63 ARG -3.56 0.81 1 64 TYR -1.54 0.98 1 65 ARG -4.55 2.83 1 66 TYR 1.54 0.92 1 67 SER 4.40 -1.79 1 68 LYS 2.78 -0.41 1 69 GLU 3.24 -2.25 1 70 LYS -2.99 2.28 1 71 MET -2.37 0.79 1 72 PHE -2.71 1.70 1 73 THR 0.95 -0.32 1 74 GLN 0.78 -1.42 1 75 ALA -2.43 1.49 1 76 PHE -0.72 0.14 1 77 GLN -4.60 3.51 1 78 ASN -3.20 2.69 1 79 LEU -5.08 4.97 1 80 THR 0.35 0.04 1 81 LEU -4.73 2.29 1 82 GLU 0.04 -0.33 1 83 SER 3.17 -1.03 1 85 GLU -2.13 1.93 1 86 THR -3.10 1.33 1 87 TYR -3.40 2.54 1 88 ASP -2.55 1.34 1 89 PHE -1.54 -0.48 1 90 SER -4.58 3.37 1 92 VAL -4.16 2.43 1 94 LYS 2.88 -2.51 1 95 GLU -3.85 1.87 1 96 VAL 0.37 -0.64 1 98 GLU 3.81 -3.08 1 101 THR 1.02 -0.22 1 102 TYR -5.41 4.01 1 103 GLU -5.95 4.40 1 104 VAL -6.64 2.07 1 105 LYS -4.47 2.74 1 106 VAL -3.40 1.69 1 107 THR -2.27 1.23 1 108 PHE 0.10 0.75 1 109 LYS 1.95 -2.61 1 111 ARG -2.86 1.41 1 112 ALA -5.96 3.80 1 113 GLU 1.58 -0.37 1 114 ASN 2.44 -1.07 1 115 LEU -3.13 2.33 1 116 LYS 0.34 -0.21 1 117 GLN 0.54 0.63 1 118 VAL 1.53 -0.58 1 119 GLN -6.40 4.58 1 120 ALA -5.10 4.49 1 121 VAL -4.36 2.25 1 122 GLN -5.40 4.11 1 123 GLN -1.40 1.22 1 124 PHE -3.32 2.00 1 125 GLU -4.43 2.75 1 126 VAL -1.21 0.94 1 127 LYS -0.78 1.42 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18196_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 0.82 _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 0.22 _LACS_plot.Line_2_terminator_val_x_2 4.73 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _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 49 GLN 2.20 -0.98 0 61 LYS 3.48 0.18 0 93 TRP -6.06 -0.06 0 96 VAL 0.37 -0.98 0 10 GLU -0.12 -0.09 1 11 ASN 0.52 -0.06 1 12 GLN -0.45 0.06 1 13 GLU 1.80 -0.32 1 14 VAL -4.07 1.09 1 15 VAL -4.76 0.29 1 16 LEU -4.46 0.93 1 17 SER -4.11 0.21 1 18 ILE -3.75 0.05 1 19 ASP -3.71 0.31 1 20 ALA -3.45 0.47 1 21 ILE -3.34 -0.05 1 22 GLN 2.48 -0.06 1 23 GLU 0.61 0.05 1 25 GLU -2.56 -0.02 1 26 GLN -2.04 0.12 1 27 ILE -1.58 0.29 1 28 LYS -3.49 0.12 1 29 PHE -3.22 0.48 1 31 MET 1.60 0.48 1 32 SER -2.45 0.43 1 33 LEU -4.31 0.68 1 34 LYS -4.10 0.62 1 35 ASN -0.07 0.26 1 36 GLN -0.32 0.42 1 37 SER -2.08 0.30 1 38 GLU -0.17 -0.06 1 39 ARG -5.07 0.44 1 40 ALA -0.50 0.06 1 41 ILE -3.26 -0.17 1 42 GLU -3.50 0.49 1 43 PHE -2.98 0.06 1 44 GLN -3.49 0.55 1 45 PHE -3.87 0.29 1 46 SER 1.21 -0.28 1 47 THR -6.53 0.34 1 50 LYS 0.62 -0.36 1 51 PHE -4.00 0.52 1 52 GLU -6.96 0.82 1 53 LEU -3.20 0.90 1 54 VAL -5.45 0.70 1 55 VAL -3.06 0.87 1 56 TYR -6.21 0.94 1 57 ASP -4.07 0.15 1 58 SER 3.99 -0.43 1 59 GLU -0.47 -0.04 1 60 HIS 4.73 -0.79 1 62 GLU 0.40 -0.35 1 63 ARG -3.56 0.24 1 64 TYR -1.54 -0.16 1 65 ARG -4.55 0.34 1 66 TYR 1.54 -0.31 1 67 SER 4.40 -0.69 1 69 GLU 3.24 -0.48 1 70 LYS -2.99 -0.12 1 71 MET -2.37 -0.03 1 72 PHE -2.71 0.20 1 73 THR 0.95 -0.12 1 74 GLN 0.78 -0.06 1 75 ALA -2.43 0.04 1 76 PHE -0.72 0.17 1 77 GLN -4.60 0.29 1 78 ASN -3.20 0.93 1 79 LEU -5.08 0.35 1 80 THR 0.35 0.74 1 81 LEU -4.73 0.55 1 82 GLU 0.04 -0.36 1 83 SER 3.17 -0.87 1 85 GLU -2.13 0.10 1 86 THR -3.10 1.15 1 87 TYR -3.40 0.36 1 88 ASP -2.55 0.72 1 89 PHE -1.54 0.09 1 90 SER -4.58 0.98 1 91 ASP -5.50 0.56 1 92 VAL -4.16 0.69 1 94 LYS 2.88 -0.15 1 95 GLU -3.85 -0.30 1 98 GLU 3.81 -0.22 1 101 THR 1.02 0.41 1 102 TYR -5.41 0.05 1 103 GLU -5.95 0.95 1 104 VAL -6.64 1.45 1 105 LYS -4.47 1.00 1 106 VAL -3.40 1.11 1 107 THR -2.27 0.42 1 108 PHE 0.10 0.14 1 109 LYS 1.95 -0.17 1 111 ARG -2.86 0.49 1 112 ALA -5.96 0.45 1 113 GLU 1.58 -0.46 1 114 ASN 2.44 -0.39 1 115 LEU -3.13 0.33 1 116 LYS 0.34 -0.02 1 117 GLN 0.54 -0.02 1 118 VAL 1.53 0.01 1 119 GLN -6.40 1.16 1 120 ALA -5.10 0.49 1 121 VAL -4.36 1.19 1 122 GLN -5.40 0.54 1 124 PHE -3.32 0.55 1 125 GLU -4.43 0.80 1 126 VAL -1.21 0.13 1 127 LYS -0.78 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18196_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.51 _LACS_plot.Line_2_terminator_val_x_2 4.73 _LACS_plot.Line_2_terminator_val_y_2 0.20 _LACS_plot.Y_axis_chem_shift_offset 1.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 LYS -0.78 4.43 0 10 GLU -0.12 -0.44 1 11 ASN 0.52 -0.21 1 12 GLN -0.45 -0.22 1 13 GLU 1.80 -1.48 1 14 VAL -4.07 -1.54 1 15 VAL -4.76 -2.76 1 16 LEU -4.46 -3.76 1 17 SER -4.11 -1.85 1 18 ILE -3.75 -2.77 1 19 ASP -3.71 -2.52 1 20 ALA -3.45 -2.01 1 21 ILE -3.34 -1.45 1 22 GLN 2.48 -1.60 1 23 GLU 0.61 -0.56 1 25 GLU -2.56 -1.71 1 26 GLN -2.04 -3.82 1 27 ILE -1.58 -2.85 1 28 LYS -3.49 -3.42 1 29 PHE -3.22 -2.60 1 31 MET 1.60 -0.74 1 32 SER -2.45 -2.00 1 33 LEU -4.31 -3.60 1 34 LYS -4.10 -1.24 1 35 ASN -0.07 -0.20 1 36 GLN -0.32 -0.66 1 37 SER -2.08 -0.58 1 38 GLU -0.17 -1.39 1 39 ARG -5.07 -2.58 1 40 ALA -0.50 -0.46 1 41 ILE -3.26 -3.21 1 43 PHE -2.98 -0.67 1 44 GLN -3.49 -0.97 1 45 PHE -3.87 -0.15 1 46 SER 1.21 -1.33 1 47 THR -6.53 -1.23 1 49 GLN 2.20 -0.72 1 50 LYS 0.62 -1.14 1 51 PHE -4.00 -4.07 1 52 GLU -6.96 -3.49 1 53 LEU -3.20 -4.01 1 54 VAL -5.45 -2.66 1 55 VAL -3.06 -1.71 1 56 TYR -6.21 -0.18 1 57 ASP -4.07 2.80 1 58 SER 3.99 0.94 1 59 GLU -0.47 -1.03 1 60 HIS 4.73 -0.46 1 61 LYS 3.48 0.39 1 62 GLU 0.40 0.27 1 63 ARG -3.56 -0.69 1 64 TYR -1.54 -4.28 1 65 ARG -4.55 -1.38 1 66 TYR 1.54 0.88 1 67 SER 4.40 0.79 1 68 LYS 2.78 0.46 1 69 GLU 3.24 -1.33 1 70 LYS -2.99 -1.27 1 71 MET -2.37 -1.61 1 72 PHE -2.71 -1.12 1 73 THR 0.95 0.49 1 74 GLN 0.78 -1.72 1 75 ALA -2.43 -2.09 1 76 PHE -0.72 0.10 1 77 GLN -4.60 -2.25 1 78 ASN -3.20 -1.38 1 79 LEU -5.08 -3.20 1 80 THR 0.35 -1.29 1 81 LEU -4.73 -0.70 1 82 GLU 0.04 -0.38 1 85 GLU -2.13 -1.63 1 86 THR -3.10 -0.58 1 87 TYR -3.40 -2.84 1 88 ASP -2.55 -1.77 1 89 PHE -1.54 -3.05 1 90 SER -4.58 -1.94 1 91 ASP -5.50 -2.59 1 92 VAL -4.16 -3.36 1 93 TRP -6.06 -0.30 1 94 LYS 2.88 -2.12 1 95 GLU -3.85 -4.27 1 96 VAL 0.37 0.02 1 98 GLU 3.81 -0.92 1 101 THR 1.02 -0.95 1 102 TYR -5.41 -2.68 1 103 GLU -5.95 -2.19 1 104 VAL -6.64 -4.39 1 105 LYS -4.47 -0.20 1 106 VAL -3.40 -2.08 1 107 THR -2.27 -0.63 1 108 PHE 0.10 0.30 1 109 LYS 1.95 -0.44 1 111 ARG -2.86 -1.33 1 112 ALA -5.96 -0.97 1 113 GLU 1.58 0.18 1 114 ASN 2.44 -1.74 1 115 LEU -3.13 -0.60 1 116 LYS 0.34 -0.31 1 117 GLN 0.54 -0.31 1 118 VAL 1.53 -2.03 1 119 GLN -6.40 -2.07 1 120 ALA -5.10 -3.33 1 121 VAL -4.36 -1.29 1 122 GLN -5.40 -1.66 1 123 GLN -1.40 -0.09 1 124 PHE -3.32 -4.54 1 126 VAL -1.21 -0.31 1 stop_ save_