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 bmr17613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 5.72 _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 120 PHE 2.02 -0.83 0 10 ASN -1.68 -1.26 1 11 ASN -0.11 -0.66 1 12 ASP 3.35 3.41 1 13 GLU 3.60 2.41 1 14 LEU 4.46 2.16 1 15 ILE 6.87 5.49 1 16 LYS 4.91 3.97 1 17 LYS 3.68 3.64 1 18 ILE 5.61 4.37 1 19 LYS 5.42 4.65 1 20 LYS 3.46 2.34 1 21 GLU 2.76 2.29 1 22 VAL 3.67 0.60 1 24 ASN 6.44 5.71 1 27 TYR -0.06 0.15 1 28 GLN -2.37 -1.32 1 29 VAL -0.28 -0.71 1 30 ARG -3.70 -2.21 1 31 ASP -2.45 -0.83 1 32 VAL -1.62 -0.64 1 33 ASN -1.67 0.30 1 34 ASP -2.02 -0.72 1 35 SER 4.19 3.15 1 36 ASP 4.29 3.47 1 37 GLU 2.79 2.61 1 38 LEU 5.36 4.03 1 39 LYS 4.72 3.67 1 40 LYS 4.09 3.39 1 41 GLU 3.12 1.47 1 42 MET 3.30 1.65 1 43 LYS 4.33 3.19 1 44 LYS 4.33 3.30 1 45 LEU 2.72 2.09 1 46 ALA 1.39 1.17 1 47 GLU -0.19 0.33 1 48 GLU -0.59 -0.58 1 49 LYS 0.96 0.32 1 50 ASN 0.31 0.45 1 51 PHE 0.86 0.24 1 52 GLU -3.91 -0.35 1 53 LYS 0.81 -0.84 1 54 ILE -4.99 -1.84 1 55 LEU -4.40 -1.60 1 56 ILE -3.01 -1.99 1 57 ILE -1.99 -1.84 1 58 SER -4.38 -1.57 1 59 ASN -0.65 -0.59 1 60 ASP -2.95 -1.10 1 61 LYS 5.01 3.43 1 62 GLN 4.55 2.60 1 63 LEU 3.05 1.54 1 64 LEU 3.73 2.68 1 65 LYS 4.86 4.03 1 66 GLU 3.16 2.52 1 67 MET 4.02 4.56 1 68 LEU 4.36 2.84 1 69 GLU 3.58 2.82 1 70 LEU 3.13 2.67 1 71 ILE 4.04 3.14 1 72 SER 4.09 3.07 1 73 LYS 2.23 1.28 1 74 LEU 1.01 0.10 1 76 TYR -1.56 -2.40 1 77 LYS -0.25 -1.13 1 78 VAL -3.42 -1.97 1 79 PHE -2.33 -1.75 1 80 LEU -4.37 -1.10 1 81 LEU -5.42 -2.04 1 82 LEU -3.79 -1.97 1 83 GLN -1.58 -1.11 1 84 ASP -2.85 -0.18 1 85 GLN 0.96 0.89 1 86 ASP -0.55 -0.69 1 87 GLU 2.25 1.92 1 88 ASN 3.27 2.54 1 89 GLU 2.31 1.65 1 90 LEU 1.78 1.84 1 91 GLU 3.46 2.53 1 92 GLU 3.62 2.65 1 93 PHE 3.36 2.75 1 94 LYS 4.51 3.88 1 95 ARG 4.18 3.10 1 96 LYS 3.76 2.73 1 97 ILE 3.06 1.47 1 98 GLU 2.82 2.35 1 99 SER 3.23 2.11 1 100 GLN 0.42 0.23 1 102 TYR -1.90 -1.65 1 103 GLU -0.69 -0.22 1 104 VAL -4.19 -2.92 1 105 ARG -5.58 -3.53 1 106 LYS -4.53 -2.33 1 107 VAL -4.31 -1.98 1 108 THR 0.25 0.42 1 109 ASP -2.94 -0.35 1 110 ASP 3.99 3.19 1 111 GLU 4.16 2.76 1 112 GLU 2.86 2.15 1 113 ALA 3.38 2.88 1 114 LEU 4.03 2.57 1 115 LYS 4.60 3.68 1 116 ILE 5.50 3.02 1 117 VAL 7.45 5.30 1 118 ARG 5.37 4.17 1 119 GLU 3.87 2.93 1 121 MET 3.64 4.38 1 122 GLN 4.42 3.04 1 123 LYS 3.83 3.04 1 124 ALA 2.32 2.15 1 126 SER 2.01 1.67 1 127 LEU 1.45 1.12 1 128 GLU 1.08 1.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _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 120 PHE 2.02 -2.85 0 10 ASN -1.68 0.42 1 11 ASN -0.11 -0.55 1 12 ASP 3.35 0.06 1 13 GLU 3.60 -1.19 1 14 LEU 4.46 -2.30 1 15 ILE 6.87 -1.38 1 16 LYS 4.91 -0.94 1 17 LYS 3.68 -0.04 1 18 ILE 5.61 -1.24 1 19 LYS 5.42 -0.77 1 20 LYS 3.46 -1.12 1 21 GLU 2.76 -0.47 1 22 VAL 3.67 -3.07 1 24 ASN 6.44 -0.73 1 27 TYR -0.06 0.21 1 28 GLN -2.37 1.05 1 29 VAL -0.28 -0.43 1 30 ARG -3.70 1.49 1 31 ASP -2.45 1.62 1 32 VAL -1.62 0.98 1 33 ASN -1.67 1.97 1 34 ASP -2.02 1.30 1 35 SER 4.19 -1.04 1 36 ASP 4.29 -0.82 1 37 GLU 2.79 -0.18 1 38 LEU 5.36 -1.33 1 39 LYS 4.72 -1.05 1 40 LYS 4.09 -0.70 1 41 GLU 3.12 -1.65 1 42 MET 3.30 -1.65 1 43 LYS 4.33 -1.14 1 44 LYS 4.33 -1.03 1 45 LEU 2.72 -0.63 1 46 ALA 1.39 -0.22 1 47 GLU -0.19 0.52 1 48 GLU -0.59 0.01 1 49 LYS 0.96 -0.64 1 50 ASN 0.31 0.14 1 51 PHE 0.86 -0.62 1 52 GLU -3.91 3.56 1 53 LYS 0.81 -1.65 1 54 ILE -4.99 3.15 1 55 LEU -4.40 2.80 1 56 ILE -3.01 1.02 1 57 ILE -1.99 0.15 1 58 SER -4.38 2.81 1 59 ASN -0.65 0.06 1 60 ASP -2.95 1.85 1 61 LYS 5.01 -1.58 1 62 GLN 4.55 -1.95 1 63 LEU 3.05 -1.51 1 64 LEU 3.73 -1.05 1 65 LYS 4.86 -0.83 1 66 GLU 3.16 -0.64 1 67 MET 4.02 0.54 1 68 LEU 4.36 -1.52 1 69 GLU 3.58 -0.76 1 70 LEU 3.13 -0.46 1 71 ILE 4.04 -0.90 1 72 SER 4.09 -1.02 1 73 LYS 2.23 -0.95 1 74 LEU 1.01 -0.91 1 76 TYR -1.56 -0.84 1 77 LYS -0.25 -0.88 1 78 VAL -3.42 1.45 1 79 PHE -2.33 0.58 1 80 LEU -4.37 3.27 1 81 LEU -5.42 3.38 1 82 LEU -3.79 1.82 1 83 GLN -1.58 0.47 1 84 ASP -2.85 2.67 1 85 GLN 0.96 -0.07 1 86 ASP -0.55 -0.14 1 87 GLU 2.25 -0.33 1 88 ASN 3.27 -0.73 1 89 GLU 2.31 -0.66 1 90 LEU 1.78 0.06 1 91 GLU 3.46 -0.93 1 92 GLU 3.62 -0.97 1 93 PHE 3.36 -0.61 1 94 LYS 4.51 -0.63 1 95 ARG 4.18 -1.08 1 96 LYS 3.76 -1.03 1 97 ILE 3.06 -1.59 1 98 GLU 2.82 -0.47 1 99 SER 3.23 -1.12 1 100 GLN 0.42 -0.19 1 102 TYR -1.90 0.25 1 103 GLU -0.69 0.47 1 104 VAL -4.19 1.27 1 105 ARG -5.58 2.05 1 106 LYS -4.53 2.20 1 107 VAL -4.31 2.33 1 108 THR 0.25 0.17 1 109 ASP -2.94 2.59 1 110 ASP 3.99 -0.80 1 111 GLU 4.16 -1.40 1 112 GLU 2.86 -0.71 1 113 ALA 3.38 -0.50 1 114 LEU 4.03 -1.46 1 115 LYS 4.60 -0.92 1 116 ILE 5.50 -2.48 1 117 VAL 7.45 -2.15 1 118 ARG 5.37 -1.20 1 119 GLU 3.87 -0.94 1 121 MET 3.64 0.74 1 122 GLN 4.42 -1.38 1 123 LYS 3.83 -0.79 1 124 ALA 2.32 -0.17 1 126 SER 2.01 -0.34 1 127 LEU 1.45 -0.33 1 128 GLU 1.08 -0.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _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 7.44 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _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 106 LYS -4.53 1.26 0 24 ASN 6.44 -0.02 0 29 VAL -0.28 0.92 0 55 LEU -4.40 1.30 0 52 GLU -3.91 -0.09 0 10 ASN -1.68 0.23 1 11 ASN -0.11 -0.05 1 12 ASP 3.35 -0.37 1 13 GLU 3.60 -0.32 1 14 LEU 4.46 -0.36 1 15 ILE 6.87 -0.95 1 16 LYS 4.91 -0.48 1 17 LYS 3.68 -0.33 1 18 ILE 5.61 -0.80 1 19 LYS 5.42 -0.64 1 20 LYS 3.46 -0.23 1 21 GLU 2.76 -0.39 1 22 VAL 3.67 0.01 1 27 TYR -0.06 -0.12 1 28 GLN -2.37 0.16 1 30 ARG -3.70 0.40 1 31 ASP -2.45 0.57 1 32 VAL -1.62 0.13 1 33 ASN -1.67 0.24 1 34 ASP -2.02 0.06 1 35 SER 4.19 -0.42 1 36 ASP 4.29 -0.12 1 37 GLU 2.79 -0.29 1 38 LEU 5.36 -0.43 1 39 LYS 4.72 -0.48 1 40 LYS 4.09 -0.30 1 41 GLU 3.12 -0.09 1 42 MET 3.30 -0.10 1 43 LYS 4.33 -0.23 1 44 LYS 4.33 -0.26 1 45 LEU 2.72 -0.19 1 46 ALA 1.39 -0.07 1 47 GLU -0.19 -0.10 1 48 GLU -0.59 0.02 1 49 LYS 0.96 0.00 1 50 ASN 0.31 -0.12 1 51 PHE 0.86 0.14 1 53 LYS 0.81 0.37 1 54 ILE -4.99 0.68 1 56 ILE -3.01 0.89 1 57 ILE -1.99 0.74 1 58 SER -4.38 0.54 1 59 ASN -0.65 -0.03 1 60 ASP -2.95 0.22 1 61 LYS 5.01 -0.60 1 62 GLN 4.55 -0.23 1 63 LEU 3.05 -0.21 1 64 LEU 3.73 -0.43 1 65 LYS 4.86 -0.53 1 66 GLU 3.16 -0.32 1 67 MET 4.02 -0.53 1 68 LEU 4.36 -0.56 1 69 GLU 3.58 -0.30 1 70 LEU 3.13 -0.18 1 71 ILE 4.04 -0.43 1 72 SER 4.09 -0.10 1 73 LYS 2.23 -0.03 1 74 LEU 1.01 -0.11 1 76 TYR -1.56 0.23 1 77 LYS -0.25 0.23 1 78 VAL -3.42 1.05 1 79 PHE -2.33 -0.05 1 80 LEU -4.37 1.21 1 81 LEU -5.42 0.93 1 82 LEU -3.79 0.57 1 83 GLN -1.58 0.92 1 84 ASP -2.85 -0.14 1 85 GLN 0.96 -0.01 1 86 ASP -0.55 0.04 1 87 GLU 2.25 -0.31 1 88 ASN 3.27 -0.18 1 89 GLU 2.31 -0.20 1 90 LEU 1.78 -0.13 1 91 GLU 3.46 -0.28 1 92 GLU 3.62 -0.32 1 93 PHE 3.36 -0.28 1 94 LYS 4.51 -0.70 1 95 ARG 4.18 -0.19 1 96 LYS 3.76 -0.25 1 97 ILE 3.06 -0.23 1 98 GLU 2.82 -0.01 1 99 SER 3.23 -0.13 1 100 GLN 0.42 -0.03 1 102 TYR -1.90 0.12 1 103 GLU -0.69 0.16 1 104 VAL -4.19 1.11 1 105 ARG -5.58 0.58 1 107 VAL -4.31 0.50 1 108 THR 0.25 0.43 1 109 ASP -2.94 0.10 1 110 ASP 3.99 -0.55 1 111 GLU 4.16 -0.36 1 112 GLU 2.86 -0.35 1 113 ALA 3.38 -0.52 1 114 LEU 4.03 -0.63 1 115 LYS 4.60 -0.52 1 116 ILE 5.50 -0.71 1 117 VAL 7.45 -0.86 1 118 ARG 5.37 -0.45 1 119 GLU 3.87 -0.32 1 120 PHE 2.02 -0.60 1 121 MET 3.64 -0.55 1 122 GLN 4.42 -0.21 1 123 LYS 3.83 -0.29 1 124 ALA 2.32 -0.18 1 126 SER 2.01 -0.02 1 127 LEU 1.45 -0.06 1 128 GLU 1.08 -0.44 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 3.74 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 LEU 3.73 -5.07 0 10 ASN -1.68 -0.60 1 11 ASN -0.11 -0.87 1 12 ASP 3.35 1.79 1 13 GLU 3.60 2.29 1 14 LEU 4.46 0.71 1 15 ILE 6.87 0.74 1 16 LYS 4.91 2.98 1 17 LYS 3.68 2.78 1 18 ILE 5.61 0.57 1 19 LYS 5.42 1.15 1 20 LYS 3.46 1.81 1 21 GLU 2.76 2.49 1 27 TYR -0.06 -1.37 1 28 GLN -2.37 -1.38 1 29 VAL -0.28 -0.48 1 30 ARG -3.70 -2.97 1 31 ASP -2.45 -1.02 1 32 VAL -1.62 -2.19 1 33 ASN -1.67 -0.96 1 34 ASP -2.02 -0.67 1 35 SER 4.19 1.39 1 36 ASP 4.29 2.84 1 37 GLU 2.79 2.10 1 38 LEU 5.36 0.05 1 39 LYS 4.72 2.98 1 40 LYS 4.09 2.98 1 41 GLU 3.12 2.90 1 42 MET 3.30 2.89 1 43 LYS 4.33 1.59 1 44 LYS 4.33 3.00 1 45 LEU 2.72 0.76 1 46 ALA 1.39 1.09 1 47 GLU -0.19 -0.12 1 48 GLU -0.59 -2.98 1 49 LYS 0.96 0.24 1 50 ASN 0.31 1.25 1 52 GLU -3.91 -3.00 1 53 LYS 0.81 -2.17 1 54 ILE -4.99 -3.31 1 55 LEU -4.40 -3.17 1 56 ILE -3.01 -2.31 1 57 ILE -1.99 -1.53 1 58 SER -4.38 -0.39 1 59 ASN -0.65 -0.41 1 60 ASP -2.95 -0.29 1 61 LYS 5.01 1.07 1 62 GLN 4.55 2.75 1 63 LEU 3.05 0.95 1 65 LYS 4.86 1.88 1 66 GLU 3.16 2.29 1 67 MET 4.02 1.23 1 68 LEU 4.36 1.27 1 69 GLU 3.58 2.46 1 70 LEU 3.13 2.10 1 71 ILE 4.04 1.96 1 72 SER 4.09 2.24 1 73 LYS 2.23 1.17 1 74 LEU 1.01 -0.27 1 76 TYR -1.56 -0.67 1 77 LYS -0.25 -2.46 1 78 VAL -3.42 -2.14 1 79 PHE -2.33 -2.44 1 80 LEU -4.37 -4.10 1 81 LEU -5.42 -3.95 1 82 LEU -3.79 -3.12 1 83 GLN -1.58 -1.67 1 84 ASP -2.85 -1.99 1 85 GLN 0.96 -0.57 1 86 ASP -0.55 -0.55 1 87 GLU 2.25 1.17 1 88 ASN 3.27 1.89 1 89 GLU 2.31 1.76 1 90 LEU 1.78 0.32 1 91 GLU 3.46 1.68 1 92 GLU 3.62 1.50 1 93 PHE 3.36 1.09 1 94 LYS 4.51 1.00 1 95 ARG 4.18 3.10 1 96 LYS 3.76 2.43 1 97 ILE 3.06 1.88 1 98 GLU 2.82 3.44 1 99 SER 3.23 0.22 1 100 GLN 0.42 -0.14 1 102 TYR -1.90 -1.15 1 103 GLU -0.69 -2.44 1 104 VAL -4.19 -2.06 1 105 ARG -5.58 -2.38 1 106 LYS -4.53 -1.78 1 107 VAL -4.31 -2.97 1 108 THR 0.25 -0.08 1 109 ASP -2.94 -0.50 1 110 ASP 3.99 1.23 1 111 GLU 4.16 3.34 1 112 GLU 2.86 1.83 1 113 ALA 3.38 0.63 1 114 LEU 4.03 0.83 1 115 LYS 4.60 2.80 1 116 ILE 5.50 0.62 1 117 VAL 7.45 1.45 1 118 ARG 5.37 2.67 1 119 GLU 3.87 2.83 1 120 PHE 2.02 1.90 1 121 MET 3.64 3.28 1 122 GLN 4.42 2.89 1 123 LYS 3.83 2.71 1 124 ALA 2.32 1.31 1 126 SER 2.01 0.90 1 127 LEU 1.45 0.39 1 stop_ save_