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 bmr15802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 5.86 _LACS_plot.Line_2_terminator_val_y_2 4.66 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 LEU -7.87 -2.00 0 36 HIS 1.89 4.43 0 52 LEU -8.10 -1.70 0 10 VAL -1.68 -1.18 1 11 TYR -5.98 -1.10 1 12 THR 0.75 0.69 1 14 LYS -5.25 -2.32 1 15 VAL 2.58 1.45 1 16 THR 0.30 0.22 1 18 LEU -3.37 -0.86 1 19 GLN -4.55 -2.43 1 20 ALA 3.40 2.58 1 21 TYR -1.87 -2.78 1 23 ALA -7.02 -3.32 1 24 PHE -0.56 0.32 1 25 VAL -4.57 -1.82 1 26 ALA -1.01 -0.79 1 27 LEU 0.92 0.77 1 28 ASP 0.83 -0.44 1 29 GLU 3.36 2.87 1 30 GLU -3.08 -0.53 1 31 THR 2.03 1.60 1 32 GLN -4.92 -1.65 1 34 LEU -4.43 -1.34 1 35 VAL -2.30 -2.61 1 37 ILE 2.48 2.67 1 38 SER 2.44 2.27 1 39 GLU -1.39 -1.67 1 40 VAL 4.36 4.05 1 41 THR -1.94 -2.75 1 42 HIS 0.59 2.73 1 44 PHE 0.08 0.33 1 45 VAL -0.89 -0.66 1 46 LYS 0.80 1.00 1 47 ASP -2.34 -0.81 1 48 ILE 4.43 4.43 1 49 ASN 2.80 2.49 1 50 GLU 1.21 0.80 1 51 HIS -2.08 2.09 1 53 SER -3.22 -1.59 1 54 VAL 5.86 4.03 1 56 ASP 1.45 1.26 1 57 GLU -1.81 -0.80 1 58 VAL -6.10 -3.48 1 59 GLN -1.57 -0.86 1 60 VAL -7.67 -4.80 1 61 LYS -5.61 -2.44 1 62 VAL 3.08 0.99 1 63 LEU 0.38 0.78 1 64 ALA -2.30 0.06 1 65 VAL -2.65 -0.26 1 66 ASP -2.19 -1.52 1 67 GLU 2.42 2.44 1 68 GLU 2.42 2.44 1 69 LYS -1.02 -0.50 1 71 LYS -2.67 -0.87 1 72 ILE -1.46 0.39 1 73 SER -1.40 -0.81 1 75 SER -2.00 -0.81 1 76 ILE 1.85 2.53 1 77 ARG 4.37 2.93 1 78 ALA 0.28 1.05 1 79 THR 0.69 0.58 1 80 GLN -2.11 -0.94 1 81 ALA -0.12 -0.16 1 82 ALA 0.19 -0.26 1 84 GLU -0.49 0.07 1 85 LYS 0.21 0.07 1 86 LYS 0.21 0.07 1 87 GLU -0.90 -0.19 1 88 SER 0.07 0.13 1 89 LYS 0.00 0.07 1 91 ARG -0.01 0.00 1 92 LYS -0.01 0.06 1 94 LYS 0.33 0.39 1 95 ALA -0.28 -0.03 1 96 ALA -0.28 -0.03 1 97 GLN -0.09 0.15 1 98 VAL 0.20 0.24 1 99 SER -0.03 0.08 1 100 GLU -0.22 0.24 1 101 GLU -0.22 0.24 1 102 ALA 0.02 0.15 1 103 SER -0.16 0.00 1 104 THR 0.08 0.15 1 106 GLN 0.42 0.51 1 108 PHE 0.24 0.35 1 109 ASN 0.32 0.30 1 110 THR 0.73 0.66 1 111 LEU 0.93 0.60 1 112 LYS 0.78 0.73 1 113 ASP 0.44 0.70 1 114 LYS 0.71 0.43 1 115 LEU 1.39 1.18 1 116 GLU 0.65 0.87 1 117 GLU 0.43 0.89 1 118 TRP 1.13 0.86 1 119 ILE 1.39 1.24 1 120 GLU 1.08 1.01 1 121 MET 1.46 1.22 1 122 SER 1.57 1.33 1 123 ASN 0.51 0.41 1 124 ARG 1.03 0.71 1 125 LYS 0.88 0.66 1 126 ASP 0.53 0.34 1 127 LEU 0.34 0.33 1 128 ILE 0.36 0.05 1 129 LYS 0.22 0.13 1 130 LYS 0.88 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 4.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 5.86 _LACS_plot.Line_2_terminator_val_y_2 -1.20 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 LEU -7.87 5.87 0 36 HIS 1.89 2.54 0 52 LEU -8.10 6.40 0 10 VAL -1.68 0.50 1 11 TYR -5.98 4.88 1 12 THR 0.75 -0.06 1 14 LYS -5.25 2.93 1 15 VAL 2.58 -1.13 1 16 THR 0.30 -0.08 1 18 LEU -3.37 2.51 1 19 GLN -4.55 2.12 1 20 ALA 3.40 -0.82 1 21 TYR -1.87 -0.91 1 23 ALA -7.02 3.70 1 24 PHE -0.56 0.88 1 25 VAL -4.57 2.75 1 26 ALA -1.01 0.22 1 27 LEU 0.92 -0.15 1 28 ASP 0.83 -1.27 1 29 GLU 3.36 -0.49 1 30 GLU -3.08 2.55 1 31 THR 2.03 -0.43 1 32 GLN -4.92 3.27 1 34 LEU -4.43 3.09 1 35 VAL -2.30 -0.31 1 37 ILE 2.48 0.19 1 38 SER 2.44 -0.17 1 39 GLU -1.39 -0.28 1 40 VAL 4.36 -0.31 1 41 THR -1.94 -0.81 1 42 HIS 0.59 2.14 1 44 PHE 0.08 0.25 1 45 VAL -0.89 0.23 1 46 LYS 0.80 0.20 1 47 ASP -2.34 1.53 1 48 ILE 4.43 0.00 1 49 ASN 2.80 -0.31 1 50 GLU 1.21 -0.41 1 51 HIS -2.08 4.17 1 53 SER -3.22 1.63 1 54 VAL 5.86 -1.83 1 56 ASP 1.45 -0.19 1 57 GLU -1.81 1.01 1 58 VAL -6.10 2.62 1 59 GLN -1.57 0.71 1 60 VAL -7.67 2.87 1 61 LYS -5.61 3.17 1 62 VAL 3.08 -2.09 1 63 LEU 0.38 0.40 1 64 ALA -2.30 2.36 1 65 VAL -2.65 2.39 1 66 ASP -2.19 0.67 1 67 GLU 2.42 0.02 1 68 GLU 2.42 0.02 1 69 LYS -1.02 0.52 1 71 LYS -2.67 1.80 1 72 ILE -1.46 1.85 1 73 SER -1.40 0.59 1 75 SER -2.00 1.19 1 76 ILE 1.85 0.68 1 77 ARG 4.37 -1.44 1 78 ALA 0.28 0.77 1 79 THR 0.69 -0.11 1 80 GLN -2.11 1.17 1 81 ALA -0.12 -0.04 1 82 ALA 0.19 -0.45 1 84 GLU -0.49 0.56 1 85 LYS 0.21 -0.14 1 86 LYS 0.21 -0.14 1 87 GLU -0.90 0.71 1 88 SER 0.07 0.06 1 89 LYS 0.00 0.07 1 91 ARG -0.01 0.01 1 92 LYS -0.01 0.07 1 94 LYS 0.33 0.06 1 95 ALA -0.28 0.25 1 96 ALA -0.28 0.25 1 97 GLN -0.09 0.24 1 98 VAL 0.20 0.04 1 99 SER -0.03 0.11 1 100 GLU -0.22 0.46 1 101 GLU -0.22 0.46 1 102 ALA 0.02 0.13 1 103 SER -0.16 0.16 1 104 THR 0.08 0.07 1 106 GLN 0.42 0.09 1 108 PHE 0.24 0.11 1 109 ASN 0.32 -0.02 1 110 THR 0.73 -0.07 1 111 LEU 0.93 -0.33 1 112 LYS 0.78 -0.05 1 113 ASP 0.44 0.26 1 114 LYS 0.71 -0.28 1 115 LEU 1.39 -0.21 1 116 GLU 0.65 0.22 1 117 GLU 0.43 0.46 1 118 TRP 1.13 -0.27 1 119 ILE 1.39 -0.15 1 120 GLU 1.08 -0.07 1 121 MET 1.46 -0.24 1 122 SER 1.57 -0.24 1 123 ASN 0.51 -0.10 1 124 ARG 1.03 -0.32 1 125 LYS 0.88 -0.22 1 126 ASP 0.53 -0.19 1 127 LEU 0.34 -0.01 1 128 ILE 0.36 -0.31 1 129 LYS 0.22 -0.09 1 130 LYS 0.88 0.74 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 0.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 5.86 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 52 LEU -8.10 0.46 0 10 VAL -1.68 0.86 1 11 TYR -5.98 0.30 1 12 THR 0.75 0.67 1 14 LYS -5.25 1.11 1 15 VAL 2.58 0.28 1 16 THR 0.30 0.21 1 18 LEU -3.37 0.51 1 19 GLN -4.55 0.18 1 20 ALA 3.40 -0.31 1 21 TYR -1.87 -0.01 1 23 ALA -7.02 0.66 1 24 PHE -0.56 0.50 1 25 VAL -4.57 0.54 1 26 ALA -1.01 0.43 1 27 LEU 0.92 -0.18 1 28 ASP 0.83 -0.22 1 29 GLU 3.36 -0.26 1 30 GLU -3.08 0.29 1 31 THR 2.03 0.13 1 32 GLN -4.92 1.00 1 34 LEU -4.43 0.61 1 35 VAL -2.30 0.36 1 36 HIS 1.89 -0.24 1 37 ILE 2.48 -0.36 1 38 SER 2.44 -0.10 1 39 GLU -1.39 0.15 1 40 VAL 4.36 -0.50 1 41 THR -1.94 -0.01 1 42 HIS 0.59 -0.22 1 44 PHE 0.08 -0.13 1 45 VAL -0.89 -0.25 1 46 LYS 0.80 -0.15 1 47 ASP -2.34 0.07 1 48 ILE 4.43 -0.59 1 49 ASN 2.80 -0.05 1 50 GLU 1.21 -0.31 1 51 HIS -2.08 -0.30 1 53 SER -3.22 0.21 1 54 VAL 5.86 -0.89 1 56 ASP 1.45 -0.18 1 57 GLU -1.81 0.75 1 58 VAL -6.10 0.70 1 59 GLN -1.57 0.69 1 60 VAL -7.67 0.87 1 61 LYS -5.61 0.78 1 62 VAL 3.08 -0.05 1 63 LEU 0.38 0.08 1 64 ALA -2.30 0.14 1 65 VAL -2.65 0.35 1 66 ASP -2.19 0.24 1 67 GLU 2.42 -0.24 1 68 GLU 2.42 -0.21 1 69 LYS -1.02 0.06 1 71 LYS -2.67 0.37 1 72 ILE -1.46 0.46 1 73 SER -1.40 0.64 1 74 LEU -7.87 1.11 1 75 SER -2.00 0.57 1 76 ILE 1.85 0.52 1 77 ARG 4.37 -0.58 1 78 ALA 0.28 -0.02 1 79 THR 0.69 0.02 1 80 GLN -2.11 0.19 1 81 ALA -0.12 -0.07 1 82 ALA 0.19 -0.62 1 84 GLU -0.49 -0.15 1 85 LYS 0.21 -0.01 1 86 LYS 0.21 -0.01 1 87 GLU -0.90 0.01 1 88 SER 0.07 0.02 1 89 LYS 0.00 0.01 1 91 ARG -0.01 -0.04 1 92 LYS -0.01 0.00 1 94 LYS 0.33 -0.03 1 95 ALA -0.28 -0.07 1 96 ALA -0.28 -0.07 1 97 GLN -0.09 0.02 1 98 VAL 0.20 0.02 1 99 SER -0.03 0.00 1 100 GLU -0.22 -0.05 1 101 GLU -0.22 -0.10 1 102 ALA 0.02 0.04 1 103 SER -0.16 0.00 1 104 THR 0.08 -0.01 1 106 GLN 0.42 -0.06 1 108 PHE 0.24 -0.04 1 109 ASN 0.32 -0.05 1 110 THR 0.73 -0.10 1 111 LEU 0.93 -0.03 1 112 LYS 0.78 -0.08 1 113 ASP 0.44 -0.11 1 114 LYS 0.71 -0.02 1 115 LEU 1.39 -0.09 1 116 GLU 0.65 -0.16 1 117 GLU 0.43 -0.16 1 118 TRP 1.13 -0.08 1 119 ILE 1.39 -0.34 1 120 GLU 1.08 -0.26 1 121 MET 1.46 -0.12 1 122 SER 1.57 -0.19 1 123 ASN 0.51 0.00 1 124 ARG 1.03 -0.04 1 125 LYS 0.88 -0.07 1 126 ASP 0.53 -0.06 1 127 LEU 0.34 -0.03 1 128 ILE 0.36 -0.03 1 129 LYS 0.22 0.01 1 130 LYS 0.88 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 5.86 _LACS_plot.Line_2_terminator_val_y_2 1.31 _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 23 ALA -7.02 -8.99 0 10 VAL -1.68 -4.91 1 11 TYR -5.98 -0.97 1 12 THR 0.75 -0.51 1 14 LYS -5.25 -5.26 1 15 VAL 2.58 0.01 1 16 THR 0.30 3.40 1 19 GLN -4.55 -0.74 1 20 ALA 3.40 -2.10 1 21 TYR -1.87 2.54 1 26 ALA -1.01 -3.36 1 27 LEU 0.92 0.21 1 28 ASP 0.83 0.82 1 29 GLU 3.36 -0.63 1 30 GLU -3.08 0.22 1 31 THR 2.03 1.63 1 32 GLN -4.92 -2.91 1 35 VAL -2.30 0.10 1 36 HIS 1.89 0.76 1 37 ILE 2.48 0.55 1 38 SER 2.44 0.19 1 39 GLU -1.39 -1.47 1 40 VAL 4.36 0.98 1 41 THR -1.94 -1.21 1 42 HIS 0.59 -1.96 1 44 PHE 0.08 -3.92 1 45 VAL -0.89 -0.78 1 46 LYS 0.80 -0.87 1 47 ASP -2.34 0.11 1 48 ILE 4.43 0.85 1 49 ASN 2.80 0.58 1 50 GLU 1.21 -0.45 1 51 HIS -2.08 2.28 1 52 LEU -8.10 -3.15 1 53 SER -3.22 -0.30 1 54 VAL 5.86 -2.55 1 56 ASP 1.45 -0.24 1 57 GLU -1.81 -0.97 1 58 VAL -6.10 0.23 1 60 VAL -7.67 -1.10 1 61 LYS -5.61 -2.99 1 62 VAL 3.08 0.61 1 63 LEU 0.38 -1.51 1 64 ALA -2.30 -0.49 1 65 VAL -2.65 -1.60 1 66 ASP -2.19 -1.95 1 67 GLU 2.42 0.45 1 68 GLU 2.42 1.78 1 69 LYS -1.02 1.70 1 71 LYS -2.67 -1.99 1 72 ILE -1.46 -0.69 1 73 SER -1.40 0.52 1 74 LEU -7.87 -3.54 1 75 SER -2.00 1.95 1 76 ILE 1.85 -0.62 1 77 ARG 4.37 2.40 1 78 ALA 0.28 -0.93 1 79 THR 0.69 3.66 1 80 GLN -2.11 -1.75 1 81 ALA -0.12 -2.11 1 82 ALA 0.19 1.16 1 84 GLU -0.49 0.35 1 85 LYS 0.21 -0.14 1 86 LYS 0.21 -0.16 1 87 GLU -0.90 -0.04 1 88 SER 0.07 1.18 1 89 LYS 0.00 -0.64 1 91 ARG -0.01 0.53 1 92 LYS -0.01 1.46 1 94 LYS 0.33 0.11 1 95 ALA -0.28 -1.35 1 96 ALA -0.28 -1.34 1 97 GLN -0.09 1.68 1 98 VAL 0.20 -0.27 1 99 SER -0.03 1.60 1 100 GLU -0.22 -1.98 1 101 GLU -0.22 0.09 1 102 ALA 0.02 -0.74 1 103 SER -0.16 3.17 1 104 THR 0.08 1.23 1 106 GLN 0.42 1.08 1 108 PHE 0.24 -1.86 1 109 ASN 0.32 0.43 1 110 THR 0.73 0.58 1 112 LYS 0.78 0.95 1 113 ASP 0.44 0.23 1 114 LYS 0.71 -0.30 1 115 LEU 1.39 -0.69 1 116 GLU 0.65 1.23 1 118 TRP 1.13 0.69 1 119 ILE 1.39 0.58 1 120 GLU 1.08 -0.04 1 122 SER 1.57 2.62 1 123 ASN 0.51 -0.49 1 124 ARG 1.03 -0.82 1 125 LYS 0.88 0.18 1 126 ASP 0.53 0.24 1 127 LEU 0.34 -1.56 1 128 ILE 0.36 0.80 1 129 LYS 0.22 -0.65 1 130 LYS 0.88 -1.23 1 stop_ save_