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 bmr18372_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.85 _LACS_plot.Line_1_terminator_val_y_1 -2.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 5.37 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 MET 3.87 4.50 0 84 ASP -3.22 -0.12 0 10 ASN -1.55 -1.33 1 11 ASN -0.05 -0.63 1 12 ASP 3.41 3.59 1 13 GLU 3.72 2.50 1 14 LEU 4.84 2.41 1 15 ILE 6.85 5.53 1 16 LYS 5.04 4.03 1 17 LYS 3.61 3.79 1 18 ILE 5.70 4.59 1 19 LYS 5.88 4.99 1 20 LYS 3.57 2.44 1 21 GLU 3.09 2.52 1 22 VAL 3.87 2.03 1 23 GLU 3.57 2.79 1 24 ASN 2.51 1.90 1 25 GLN -0.53 -0.62 1 27 TYR -1.49 -0.31 1 28 GLN -2.84 -0.98 1 29 VAL -0.74 -1.08 1 30 ARG -2.57 -2.30 1 31 ASP -1.91 -0.54 1 32 VAL -1.36 -0.53 1 33 ASN -1.78 0.00 1 34 ASP -1.94 -0.57 1 35 SER 4.26 3.52 1 36 ASP 4.28 3.65 1 37 GLU 2.69 2.64 1 38 LEU 5.35 4.14 1 39 LYS 4.88 3.92 1 40 LYS 3.81 3.56 1 41 GLU 3.02 1.29 1 42 MET 2.63 1.27 1 43 LYS 4.44 3.34 1 44 LYS 4.08 3.13 1 45 LEU 2.68 2.17 1 46 ALA 1.46 1.30 1 47 GLU -0.32 0.30 1 48 GLU -0.00 -0.13 1 49 LYS 0.83 0.15 1 50 ASN 0.15 0.25 1 51 PHE 0.80 0.22 1 52 GLU -2.78 -0.33 1 53 LYS 0.10 -0.49 1 54 ILE -3.86 -1.30 1 55 LEU -3.55 -1.03 1 56 ILE -3.67 -1.98 1 57 ILE -2.58 -1.66 1 58 SER -4.85 -1.72 1 59 ASN -0.75 -0.65 1 60 ASP -2.82 -1.07 1 61 LYS 4.42 3.25 1 62 GLN 4.33 2.36 1 63 LEU 2.51 1.30 1 64 LEU 4.01 3.08 1 65 LYS 5.32 4.29 1 66 GLU 2.97 2.37 1 68 LEU 4.61 3.05 1 69 GLU 3.55 2.81 1 70 LEU 3.32 2.70 1 71 ILE 4.94 4.34 1 72 SER 4.70 3.62 1 73 LYS 3.17 2.11 1 74 LEU 0.36 0.05 1 76 TYR -1.29 -1.51 1 77 LYS -0.44 -0.43 1 78 VAL -3.26 -1.74 1 79 PHE -2.25 -1.40 1 80 LEU -4.38 -1.37 1 81 LEU -4.48 -1.78 1 82 LEU -4.48 -2.02 1 83 GLN -1.86 -0.82 1 85 GLN 0.91 0.91 1 86 ASP -0.70 -0.80 1 87 GLU 2.50 2.25 1 88 ASN 3.34 2.82 1 89 GLU 2.71 1.93 1 90 LEU 2.32 2.35 1 91 GLU 3.52 2.42 1 92 GLU 3.43 2.57 1 93 PHE 3.21 2.69 1 94 LYS 4.12 3.82 1 95 ARG 4.11 3.20 1 96 LYS 3.73 2.63 1 97 ILE 3.30 1.39 1 98 GLU 3.07 2.54 1 99 SER 3.13 2.23 1 100 GLN -0.17 -0.05 1 102 TYR -1.60 -1.22 1 103 GLU -0.65 -0.23 1 104 VAL -3.83 -2.40 1 105 ARG -4.63 -3.03 1 106 LYS -3.67 -2.10 1 107 VAL -4.14 -2.20 1 108 THR 0.10 0.39 1 109 ASP -2.91 -0.43 1 110 ASP 4.18 3.25 1 111 GLU 3.99 2.54 1 112 GLU 3.27 2.49 1 113 ALA 3.64 2.74 1 114 LEU 3.95 2.57 1 115 LYS 4.92 3.99 1 116 ILE 4.96 3.43 1 117 VAL 6.75 5.11 1 118 ARG 5.29 4.35 1 119 GLU 3.63 2.65 1 120 PHE 2.95 1.52 1 121 MET 2.45 2.94 1 122 GLN 2.36 1.64 1 123 LYS 1.61 1.28 1 124 ALA 0.90 0.58 1 126 SER 0.13 0.18 1 127 LEU 0.40 0.09 1 128 GLU 0.19 0.08 1 130 HIS 0.66 2.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18372_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.85 _LACS_plot.Line_1_terminator_val_y_1 2.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 MET 3.87 0.63 0 84 ASP -3.22 3.10 0 10 ASN -1.55 0.22 1 11 ASN -0.05 -0.58 1 12 ASP 3.41 0.18 1 13 GLU 3.72 -1.22 1 14 LEU 4.84 -2.43 1 15 ILE 6.85 -1.32 1 16 LYS 5.04 -1.01 1 17 LYS 3.61 0.18 1 18 ILE 5.70 -1.11 1 19 LYS 5.88 -0.89 1 20 LYS 3.57 -1.13 1 21 GLU 3.09 -0.57 1 22 VAL 3.87 -1.84 1 23 GLU 3.57 -0.78 1 24 ASN 2.51 -0.61 1 25 GLN -0.53 -0.09 1 27 TYR -1.49 1.18 1 28 GLN -2.84 1.86 1 29 VAL -0.74 -0.34 1 30 ARG -2.57 0.27 1 31 ASP -1.91 1.37 1 32 VAL -1.36 0.83 1 33 ASN -1.78 1.78 1 34 ASP -1.94 1.37 1 35 SER 4.26 -0.74 1 36 ASP 4.28 -0.63 1 37 GLU 2.69 -0.05 1 38 LEU 5.35 -1.21 1 39 LYS 4.88 -0.96 1 40 LYS 3.81 -0.25 1 41 GLU 3.02 -1.73 1 42 MET 2.63 -1.36 1 43 LYS 4.44 -1.10 1 44 LYS 4.08 -0.95 1 45 LEU 2.68 -0.51 1 46 ALA 1.46 -0.16 1 47 GLU -0.32 0.62 1 48 GLU -0.00 -0.13 1 49 LYS 0.83 -0.68 1 50 ASN 0.15 0.10 1 51 PHE 0.80 -0.58 1 52 GLU -2.78 2.45 1 53 LYS 0.10 -0.59 1 54 ILE -3.86 2.56 1 55 LEU -3.55 2.52 1 56 ILE -3.67 1.69 1 57 ILE -2.58 0.92 1 58 SER -4.85 3.13 1 59 ASN -0.75 0.10 1 60 ASP -2.82 1.75 1 61 LYS 4.42 -1.17 1 62 GLN 4.33 -1.97 1 63 LEU 2.51 -1.21 1 64 LEU 4.01 -0.93 1 65 LYS 5.32 -1.03 1 66 GLU 2.97 -0.60 1 68 LEU 4.61 -1.56 1 69 GLU 3.55 -0.74 1 70 LEU 3.32 -0.62 1 71 ILE 4.94 -0.60 1 72 SER 4.70 -1.08 1 73 LYS 3.17 -1.06 1 74 LEU 0.36 -0.31 1 76 TYR -1.29 -0.22 1 77 LYS -0.44 0.01 1 78 VAL -3.26 1.52 1 79 PHE -2.25 0.85 1 80 LEU -4.38 3.01 1 81 LEU -4.48 2.70 1 82 LEU -4.48 2.46 1 83 GLN -1.86 1.04 1 85 GLN 0.91 0.00 1 86 ASP -0.70 -0.10 1 87 GLU 2.50 -0.25 1 88 ASN 3.34 -0.52 1 89 GLU 2.71 -0.78 1 90 LEU 2.32 0.03 1 91 GLU 3.52 -1.10 1 92 GLU 3.43 -0.86 1 93 PHE 3.21 -0.52 1 94 LYS 4.12 -0.30 1 95 ARG 4.11 -0.91 1 96 LYS 3.73 -1.10 1 97 ILE 3.30 -1.91 1 98 GLU 3.07 -0.53 1 99 SER 3.13 -0.90 1 100 GLN -0.17 0.12 1 102 TYR -1.60 0.38 1 103 GLU -0.65 0.42 1 104 VAL -3.83 1.43 1 105 ARG -4.63 1.60 1 106 LYS -3.67 1.57 1 107 VAL -4.14 1.94 1 108 THR 0.10 0.29 1 109 ASP -2.91 2.48 1 110 ASP 4.18 -0.93 1 111 GLU 3.99 -1.45 1 112 GLU 3.27 -0.78 1 113 ALA 3.64 -0.90 1 114 LEU 3.95 -1.38 1 115 LYS 4.92 -0.93 1 116 ILE 4.96 -1.53 1 117 VAL 6.75 -1.64 1 118 ARG 5.29 -0.94 1 119 GLU 3.63 -0.98 1 120 PHE 2.95 -1.43 1 121 MET 2.45 0.49 1 122 GLN 2.36 -0.72 1 123 LYS 1.61 -0.33 1 124 ALA 0.90 -0.32 1 126 SER 0.13 0.05 1 127 LEU 0.40 -0.31 1 128 GLU 0.19 -0.11 1 130 HIS 0.66 1.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18372_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.85 _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 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 ASP -3.22 -0.15 0 10 ASN -1.55 0.25 1 11 ASN -0.05 -0.05 1 12 ASP 3.41 -0.37 1 13 GLU 3.72 -0.33 1 14 LEU 4.84 -0.34 1 15 ILE 6.85 -0.93 1 16 LYS 5.04 -0.47 1 17 LYS 3.61 -0.32 1 18 ILE 5.70 -0.80 1 19 LYS 5.88 -0.61 1 20 LYS 3.57 -0.23 1 21 GLU 3.09 -0.34 1 22 VAL 3.87 -0.19 1 23 GLU 3.57 0.06 1 24 ASN 2.51 -0.11 1 25 GLN -0.53 0.20 1 27 TYR -1.49 0.09 1 28 GLN -2.84 0.26 1 29 VAL -0.74 0.67 1 30 ARG -2.57 0.35 1 31 ASP -1.91 0.50 1 32 VAL -1.36 0.12 1 33 ASN -1.78 0.23 1 34 ASP -1.94 0.04 1 35 SER 4.26 -0.42 1 36 ASP 4.28 -0.10 1 37 GLU 2.69 -0.28 1 38 LEU 5.35 -0.44 1 39 LYS 4.88 -0.48 1 40 LYS 3.81 -0.30 1 41 GLU 3.02 -0.09 1 42 MET 2.63 -0.05 1 43 LYS 4.44 -0.24 1 44 LYS 4.08 -0.26 1 45 LEU 2.68 -0.19 1 46 ALA 1.46 -0.03 1 47 GLU -0.32 -0.07 1 48 GLU -0.00 -0.02 1 49 LYS 0.83 0.02 1 50 ASN 0.15 -0.08 1 51 PHE 0.80 0.09 1 52 GLU -2.78 -0.02 1 53 LYS 0.10 0.34 1 54 ILE -3.86 0.50 1 55 LEU -3.55 1.02 1 56 ILE -3.67 0.90 1 57 ILE -2.58 0.80 1 58 SER -4.85 0.50 1 59 ASN -0.75 0.04 1 60 ASP -2.82 0.22 1 61 LYS 4.42 -0.62 1 62 GLN 4.33 -0.22 1 63 LEU 2.51 -0.19 1 64 LEU 4.01 -0.49 1 65 LYS 5.32 -0.55 1 66 GLU 2.97 -0.29 1 67 MET 3.87 -0.52 1 68 LEU 4.61 -0.63 1 69 GLU 3.55 -0.29 1 70 LEU 3.32 -0.23 1 71 ILE 4.94 -0.62 1 72 SER 4.70 0.00 1 73 LYS 3.17 -0.11 1 74 LEU 0.36 -0.09 1 76 TYR -1.29 0.20 1 77 LYS -0.44 0.25 1 78 VAL -3.26 0.93 1 79 PHE -2.25 0.16 1 80 LEU -4.38 1.00 1 81 LEU -4.48 0.84 1 82 LEU -4.48 0.63 1 83 GLN -1.86 0.85 1 85 GLN 0.91 -0.01 1 86 ASP -0.70 0.06 1 87 GLU 2.50 -0.33 1 88 ASN 3.34 -0.18 1 89 GLU 2.71 -0.25 1 90 LEU 2.32 -0.14 1 91 GLU 3.52 -0.29 1 92 GLU 3.43 -0.29 1 93 PHE 3.21 -0.26 1 94 LYS 4.12 -0.74 1 95 ARG 4.11 -0.18 1 96 LYS 3.73 -0.27 1 97 ILE 3.30 -0.28 1 98 GLU 3.07 0.07 1 99 SER 3.13 -0.12 1 100 GLN -0.17 -0.01 1 102 TYR -1.60 0.16 1 103 GLU -0.65 0.14 1 104 VAL -3.83 0.95 1 105 ARG -4.63 0.47 1 106 LYS -3.67 1.06 1 107 VAL -4.14 0.52 1 108 THR 0.10 0.38 1 109 ASP -2.91 0.14 1 110 ASP 4.18 -0.56 1 111 GLU 3.99 -0.34 1 112 GLU 3.27 -0.29 1 113 ALA 3.64 -0.44 1 114 LEU 3.95 -0.62 1 115 LYS 4.92 -0.47 1 116 ILE 4.96 -0.52 1 117 VAL 6.75 -0.77 1 118 ARG 5.29 -0.49 1 119 GLU 3.63 -0.39 1 120 PHE 2.95 -0.49 1 121 MET 2.45 -0.60 1 122 GLN 2.36 -0.18 1 123 LYS 1.61 -0.16 1 124 ALA 0.90 -0.06 1 126 SER 0.13 -0.03 1 127 LEU 0.40 -0.03 1 128 GLU 0.19 -0.21 1 130 HIS 0.66 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18372_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.85 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 3.39 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 SER -4.85 -0.04 0 10 ASN -1.55 -0.43 1 11 ASN -0.05 -0.90 1 12 ASP 3.41 1.77 1 13 GLU 3.72 2.28 1 14 LEU 4.84 0.69 1 15 ILE 6.85 0.92 1 16 LYS 5.04 3.00 1 17 LYS 3.61 2.85 1 18 ILE 5.70 0.60 1 19 LYS 5.88 1.38 1 20 LYS 3.57 1.63 1 21 GLU 3.09 2.36 1 22 VAL 3.87 2.62 1 23 GLU 3.57 3.74 1 24 ASN 2.51 0.98 1 25 GLN -0.53 -0.31 1 27 TYR -1.49 -0.83 1 28 GLN -2.84 -1.36 1 29 VAL -0.74 -0.93 1 30 ARG -2.57 -2.77 1 31 ASP -1.91 -0.74 1 32 VAL -1.36 -2.39 1 33 ASN -1.78 -0.89 1 34 ASP -1.94 -0.59 1 35 SER 4.26 1.37 1 36 ASP 4.28 2.86 1 37 GLU 2.69 2.02 1 38 LEU 5.35 0.16 1 39 LYS 4.88 3.03 1 40 LYS 3.81 2.96 1 41 GLU 3.02 3.10 1 42 MET 2.63 2.86 1 43 LYS 4.44 1.71 1 44 LYS 4.08 2.87 1 45 LEU 2.68 0.98 1 46 ALA 1.46 1.01 1 47 GLU -0.32 0.10 1 49 LYS 0.83 -0.19 1 50 ASN 0.15 -0.69 1 51 PHE 0.80 -0.68 1 52 GLU -2.78 -1.94 1 53 LYS 0.10 -1.81 1 54 ILE -3.86 -3.19 1 55 LEU -3.55 -3.08 1 56 ILE -3.67 -2.18 1 57 ILE -2.58 -1.82 1 59 ASN -0.75 -0.19 1 60 ASP -2.82 -0.30 1 61 LYS 4.42 1.27 1 62 GLN 4.33 2.70 1 63 LEU 2.51 0.82 1 64 LEU 4.01 0.16 1 65 LYS 5.32 2.09 1 66 GLU 2.97 2.34 1 67 MET 3.87 1.19 1 68 LEU 4.61 1.10 1 69 GLU 3.55 2.30 1 70 LEU 3.32 2.14 1 71 ILE 4.94 2.07 1 72 SER 4.70 3.26 1 73 LYS 3.17 1.59 1 74 LEU 0.36 -0.36 1 76 TYR -1.29 -0.71 1 77 LYS -0.44 -1.66 1 78 VAL -3.26 -2.44 1 79 PHE -2.25 -3.26 1 80 LEU -4.38 -4.32 1 81 LEU -4.48 -3.82 1 82 LEU -4.48 -3.11 1 83 GLN -1.86 -1.66 1 84 ASP -3.22 -1.96 1 85 GLN 0.91 -0.34 1 86 ASP -0.70 -0.67 1 87 GLU 2.50 1.25 1 88 ASN 3.34 1.99 1 89 GLU 2.71 1.85 1 90 LEU 2.32 0.38 1 91 GLU 3.52 1.71 1 92 GLU 3.43 1.95 1 93 PHE 3.21 1.02 1 94 LYS 4.12 0.92 1 95 ARG 4.11 2.31 1 96 LYS 3.73 2.56 1 97 ILE 3.30 2.26 1 98 GLU 3.07 3.95 1 99 SER 3.13 0.31 1 100 GLN -0.17 -0.29 1 102 TYR -1.60 -1.24 1 103 GLU -0.65 -2.08 1 104 VAL -3.83 -1.88 1 105 ARG -4.63 -2.36 1 106 LYS -3.67 -1.52 1 107 VAL -4.14 -2.44 1 108 THR 0.10 -0.09 1 109 ASP -2.91 -0.47 1 110 ASP 4.18 1.34 1 111 GLU 3.99 3.06 1 112 GLU 3.27 1.80 1 113 ALA 3.64 0.69 1 114 LEU 3.95 0.77 1 115 LYS 4.92 2.49 1 116 ILE 4.96 1.54 1 117 VAL 6.75 1.06 1 118 ARG 5.29 2.59 1 119 GLU 3.63 2.44 1 120 PHE 2.95 1.60 1 121 MET 2.45 1.26 1 122 GLN 2.36 0.92 1 123 LYS 1.61 0.49 1 124 ALA 0.90 0.58 1 126 SER 0.13 -0.04 1 127 LEU 0.40 -0.34 1 stop_ save_