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 bmr6693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.11 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _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 -1.24 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 4.21 _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 107 HIS 2.69 5.00 0 118 HIS 0.98 4.36 0 27 TRP -5.92 0.29 0 10 ALA 4.13 2.98 1 11 GLU 3.68 2.17 1 14 ALA -5.69 -2.14 1 15 THR -3.57 -3.76 1 16 THR 0.05 -0.68 1 17 GLN -0.08 1.42 1 18 SER 5.03 4.18 1 19 GLU 3.32 2.71 1 20 ALA 0.29 1.00 1 21 ALA 3.57 3.21 1 22 ALA 1.09 0.74 1 23 TYR -1.42 -0.29 1 24 GLN 2.53 2.19 1 25 LYS 4.48 2.66 1 26 ARG 0.64 -1.61 1 28 LEU -1.29 0.35 1 29 VAL -1.93 -1.30 1 30 ALA -8.11 -2.40 1 31 ASN -1.59 -1.60 1 32 ASP 2.94 2.22 1 33 ALA -0.35 -0.60 1 35 GLN -1.72 -1.37 1 36 TRP 0.38 -0.14 1 37 LEU -1.52 -0.67 1 38 ASN -5.18 -3.55 1 39 ARG 4.19 3.76 1 40 ASP 3.40 2.91 1 41 LEU -1.43 0.85 1 44 ARG 4.07 3.08 1 45 LEU 5.62 3.92 1 46 ALA 2.31 2.37 1 47 GLU -1.43 -0.26 1 48 VAL 1.29 0.30 1 49 SER -1.49 -0.60 1 50 VAL -4.68 -1.81 1 51 GLU -6.20 -1.73 1 52 LEU -0.63 -0.09 1 53 ARG -3.11 -0.72 1 54 MET 3.35 1.74 1 56 TYR -2.91 0.13 1 57 LEU -1.72 -0.77 1 58 VAL -0.82 -0.47 1 59 LEU -2.27 -1.02 1 60 LYS -5.70 -1.19 1 61 ALA -2.66 0.17 1 64 MET -3.36 -1.78 1 65 LEU -0.50 -0.20 1 66 ARG -0.41 0.50 1 67 LEU -1.69 -1.27 1 68 ASP -2.53 -1.58 1 69 ILE -2.91 -0.42 1 71 LEU 1.55 1.52 1 72 ASP -1.44 -0.28 1 73 VAL -1.40 -0.34 1 74 ILE 0.14 0.12 1 75 GLU -0.26 0.14 1 76 ASP -0.81 -0.10 1 77 ASP 0.96 1.32 1 78 ASP 0.69 0.84 1 79 SER 1.59 1.73 1 80 VAL 1.03 0.59 1 81 ARG -3.44 -1.26 1 82 TYR -2.21 -1.39 1 83 GLN -3.35 -0.45 1 84 MET -4.62 -1.08 1 85 LEU -1.50 -0.55 1 86 VAL 0.70 0.42 1 88 GLU -0.92 -0.45 1 89 GLN -2.63 -0.71 1 90 THR 2.66 1.70 1 91 VAL -3.12 -0.92 1 92 ASP -0.76 0.22 1 93 VAL -7.50 -3.36 1 94 VAL -3.97 -1.48 1 95 ASP -1.31 1.45 1 96 GLU 1.68 0.99 1 98 GLU 2.22 2.77 1 99 LEU 4.90 3.70 1 100 ALA 3.81 2.53 1 101 ALA 2.89 2.69 1 102 ALA 3.75 2.84 1 103 TRP 2.32 4.80 1 104 ILE -1.19 -0.02 1 105 SER 5.11 4.40 1 106 ASN 3.13 2.95 1 108 ALA 1.16 2.45 1 110 VAL -4.04 -2.14 1 113 ARG -4.13 -0.57 1 114 ILE 0.43 0.47 1 115 LEU -4.21 -1.96 1 116 LYS -4.64 -1.24 1 117 VAL 2.86 2.01 1 120 ASP 1.82 1.39 1 121 MET 0.57 -0.62 1 122 ALA 0.16 0.47 1 123 GLU -1.04 0.14 1 124 VAL -0.08 0.01 1 125 ARG 0.71 -1.72 1 126 TRP 0.19 -0.22 1 128 SER -0.34 -0.06 1 129 LEU 0.61 0.18 1 130 GLU 0.10 0.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.11 _LACS_plot.Line_1_terminator_val_y_1 5.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 -1.40 _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 107 HIS 2.69 2.31 0 118 HIS 0.98 3.38 0 27 TRP -5.92 6.21 0 10 ALA 4.13 -1.15 1 11 GLU 3.68 -1.51 1 14 ALA -5.69 3.55 1 15 THR -3.57 -0.19 1 16 THR 0.05 -0.73 1 17 GLN -0.08 1.50 1 18 SER 5.03 -0.85 1 19 GLU 3.32 -0.61 1 20 ALA 0.29 0.71 1 21 ALA 3.57 -0.36 1 22 ALA 1.09 -0.35 1 23 TYR -1.42 1.13 1 24 GLN 2.53 -0.34 1 25 LYS 4.48 -1.82 1 26 ARG 0.64 -2.25 1 28 LEU -1.29 1.64 1 29 VAL -1.93 0.63 1 30 ALA -8.11 5.71 1 31 ASN -1.59 -0.01 1 32 ASP 2.94 -0.72 1 33 ALA -0.35 -0.25 1 35 GLN -1.72 0.35 1 36 TRP 0.38 -0.52 1 37 LEU -1.52 0.85 1 38 ASN -5.18 1.63 1 39 ARG 4.19 -0.43 1 40 ASP 3.40 -0.49 1 41 LEU -1.43 2.28 1 44 ARG 4.07 -0.99 1 45 LEU 5.62 -1.70 1 46 ALA 2.31 0.06 1 47 GLU -1.43 1.17 1 48 VAL 1.29 -0.99 1 49 SER -1.49 0.89 1 50 VAL -4.68 2.87 1 51 GLU -6.20 4.47 1 52 LEU -0.63 0.54 1 53 ARG -3.11 2.39 1 54 MET 3.35 -1.61 1 56 TYR -2.91 3.04 1 57 LEU -1.72 0.95 1 58 VAL -0.82 0.35 1 59 LEU -2.27 1.25 1 60 LYS -5.70 4.51 1 61 ALA -2.66 2.83 1 64 MET -3.36 1.58 1 65 LEU -0.50 0.30 1 66 ARG -0.41 0.91 1 67 LEU -1.69 0.42 1 68 ASP -2.53 0.95 1 69 ILE -2.91 2.49 1 71 LEU 1.55 -0.03 1 72 ASP -1.44 1.16 1 73 VAL -1.40 1.06 1 74 ILE 0.14 -0.02 1 75 GLU -0.26 0.40 1 76 ASP -0.81 0.71 1 77 ASP 0.96 0.36 1 78 ASP 0.69 0.15 1 79 SER 1.59 0.14 1 80 VAL 1.03 -0.44 1 81 ARG -3.44 2.18 1 82 TYR -2.21 0.82 1 83 GLN -3.35 2.90 1 84 MET -4.62 3.54 1 85 LEU -1.50 0.95 1 86 VAL 0.70 -0.28 1 88 GLU -0.92 0.47 1 89 GLN -2.63 1.92 1 90 THR 2.66 -0.96 1 91 VAL -3.12 2.20 1 92 ASP -0.76 0.98 1 93 VAL -7.50 4.14 1 94 VAL -3.97 2.49 1 95 ASP -1.31 2.76 1 96 GLU 1.68 -0.69 1 98 GLU 2.22 0.55 1 99 LEU 4.90 -1.20 1 100 ALA 3.81 -1.28 1 101 ALA 2.89 -0.20 1 102 ALA 3.75 -0.91 1 103 TRP 2.32 2.48 1 104 ILE -1.19 1.17 1 105 SER 5.11 -0.71 1 106 ASN 3.13 -0.18 1 108 ALA 1.16 1.29 1 110 VAL -4.04 1.90 1 113 ARG -4.13 3.56 1 114 ILE 0.43 0.04 1 115 LEU -4.21 2.25 1 116 LYS -4.64 3.40 1 117 VAL 2.86 -0.85 1 120 ASP 1.82 -0.43 1 121 MET 0.57 -1.19 1 122 ALA 0.16 0.31 1 123 GLU -1.04 1.18 1 124 VAL -0.08 0.09 1 125 ARG 0.71 -2.43 1 126 TRP 0.19 -0.41 1 128 SER -0.34 0.28 1 129 LEU 0.61 -0.43 1 130 GLU 0.10 0.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.11 _LACS_plot.Line_1_terminator_val_y_1 0.92 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _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 38 ASN -5.18 -0.44 0 21 ALA 3.57 -1.48 0 10 ALA 4.13 -0.51 1 11 GLU 3.68 -0.55 1 14 ALA -5.69 0.95 1 15 THR -3.57 0.87 1 16 THR 0.05 0.50 1 17 GLN -0.08 -0.06 1 18 SER 5.03 -0.23 1 19 GLU 3.32 -0.25 1 20 ALA 0.29 -0.24 1 22 ALA 1.09 -0.32 1 23 TYR -1.42 -0.18 1 24 GLN 2.53 -0.06 1 25 LYS 4.48 -0.50 1 26 ARG 0.64 -0.04 1 27 TRP -5.92 1.19 1 28 LEU -1.29 0.58 1 29 VAL -1.93 1.15 1 30 ALA -8.11 1.18 1 31 ASN -1.59 0.26 1 32 ASP 2.94 -0.32 1 33 ALA -0.35 0.16 1 35 GLN -1.72 0.32 1 36 TRP 0.38 0.01 1 37 LEU -1.52 -0.16 1 39 ARG 4.19 -0.43 1 40 ASP 3.40 -0.26 1 41 LEU -1.43 -0.07 1 44 ARG 4.07 -0.10 1 45 LEU 5.62 -0.17 1 46 ALA 2.31 -0.45 1 47 GLU -1.43 -0.12 1 48 VAL 1.29 0.17 1 49 SER -1.49 0.26 1 50 VAL -4.68 0.98 1 51 GLU -6.20 0.13 1 52 LEU -0.63 0.81 1 53 ARG -3.11 0.20 1 54 MET 3.35 -0.39 1 56 TYR -2.91 0.33 1 57 LEU -1.72 0.02 1 58 VAL -0.82 0.51 1 59 LEU -2.27 0.75 1 60 LYS -5.70 0.57 1 61 ALA -2.66 0.25 1 64 MET -3.36 0.35 1 65 LEU -0.50 0.20 1 66 ARG -0.41 0.41 1 67 LEU -1.69 -0.07 1 68 ASP -2.53 0.65 1 69 ILE -2.91 0.11 1 71 LEU 1.55 -0.15 1 72 ASP -1.44 0.12 1 73 VAL -1.40 0.04 1 74 ILE 0.14 -0.04 1 75 GLU -0.26 -0.07 1 76 ASP -0.81 0.02 1 77 ASP 0.96 -0.07 1 78 ASP 0.69 0.05 1 79 SER 1.59 -0.08 1 80 VAL 1.03 0.06 1 81 ARG -3.44 0.83 1 82 TYR -2.21 0.31 1 83 GLN -3.35 1.07 1 84 MET -4.62 0.38 1 85 LEU -1.50 0.66 1 86 VAL 0.70 -0.27 1 88 GLU -0.92 0.05 1 89 GLN -2.63 0.00 1 90 THR 2.66 0.09 1 91 VAL -3.12 0.03 1 92 ASP -0.76 0.45 1 93 VAL -7.50 1.34 1 94 VAL -3.97 0.58 1 95 ASP -1.31 0.18 1 96 GLU 1.68 0.68 1 98 GLU 2.22 -0.17 1 99 LEU 4.90 -0.03 1 100 ALA 3.81 -0.14 1 101 ALA 2.89 0.13 1 102 ALA 3.75 -0.14 1 103 TRP 2.32 -0.54 1 104 ILE -1.19 0.18 1 105 SER 5.11 0.32 1 106 ASN 3.13 -0.47 1 107 HIS 2.69 -0.66 1 108 ALA 1.16 -1.09 1 110 VAL -4.04 0.26 1 113 ARG -4.13 0.25 1 114 ILE 0.43 0.58 1 115 LEU -4.21 0.92 1 116 LYS -4.64 0.33 1 117 VAL 2.86 -0.36 1 118 HIS 0.98 -1.02 1 120 ASP 1.82 -0.05 1 121 MET 0.57 0.01 1 122 ALA 0.16 -0.07 1 123 GLU -1.04 -0.19 1 124 VAL -0.08 -0.40 1 125 ARG 0.71 -0.04 1 126 TRP 0.19 -0.94 1 128 SER -0.34 0.12 1 129 LEU 0.61 0.07 1 130 GLU 0.10 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6693_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.11 _LACS_plot.Line_1_terminator_val_y_1 -2.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 1.53 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 LYS 4.48 -2.95 0 37 LEU -1.52 -5.76 0 10 ALA 4.13 0.11 1 11 GLU 3.68 -0.41 1 14 ALA -5.69 0.37 1 15 THR -3.57 -1.55 1 16 THR 0.05 0.75 1 17 GLN -0.08 1.62 1 18 SER 5.03 3.12 1 19 GLU 3.32 0.60 1 20 ALA 0.29 -0.39 1 21 ALA 3.57 2.06 1 22 ALA 1.09 -0.83 1 23 TYR -1.42 -2.51 1 24 GLN 2.53 -1.03 1 26 ARG 0.64 -2.29 1 27 TRP -5.92 -1.49 1 28 LEU -1.29 -4.75 1 29 VAL -1.93 -1.58 1 30 ALA -8.11 -1.05 1 31 ASN -1.59 1.03 1 32 ASP 2.94 -0.06 1 33 ALA -0.35 -0.02 1 35 GLN -1.72 -0.36 1 36 TRP 0.38 -1.83 1 38 ASN -5.18 -0.02 1 39 ARG 4.19 0.84 1 40 ASP 3.40 1.34 1 41 LEU -1.43 0.36 1 44 ARG 4.07 3.87 1 45 LEU 5.62 0.19 1 46 ALA 2.31 0.11 1 47 GLU -1.43 -1.23 1 48 VAL 1.29 -1.12 1 49 SER -1.49 -1.17 1 50 VAL -4.68 -1.55 1 51 GLU -6.20 -3.34 1 52 LEU -0.63 -0.30 1 53 ARG -3.11 -1.03 1 54 MET 3.35 -0.46 1 56 TYR -2.91 -2.65 1 57 LEU -1.72 -3.40 1 58 VAL -0.82 -1.21 1 59 LEU -2.27 -2.21 1 60 LYS -5.70 -2.31 1 61 ALA -2.66 -0.26 1 64 MET -3.36 1.05 1 65 LEU -0.50 -0.58 1 66 ARG -0.41 -1.70 1 67 LEU -1.69 -4.51 1 68 ASP -2.53 -0.50 1 69 ILE -2.91 -1.76 1 71 LEU 1.55 -0.28 1 72 ASP -1.44 -1.31 1 73 VAL -1.40 -0.53 1 74 ILE 0.14 -0.38 1 75 GLU -0.26 -0.94 1 76 ASP -0.81 0.20 1 77 ASP 0.96 0.12 1 78 ASP 0.69 0.48 1 79 SER 1.59 -0.25 1 80 VAL 1.03 -2.07 1 81 ARG -3.44 -0.98 1 82 TYR -2.21 -2.40 1 83 GLN -3.35 -0.99 1 84 MET -4.62 -3.39 1 85 LEU -1.50 -0.50 1 86 VAL 0.70 0.31 1 88 GLU -0.92 -0.91 1 89 GLN -2.63 -1.41 1 90 THR 2.66 -0.65 1 91 VAL -3.12 -2.36 1 92 ASP -0.76 -1.25 1 93 VAL -7.50 -1.71 1 94 VAL -3.97 -0.53 1 95 ASP -1.31 1.64 1 96 GLU 1.68 1.86 1 98 GLU 2.22 2.61 1 99 LEU 4.90 2.77 1 100 ALA 3.81 0.85 1 101 ALA 2.89 2.89 1 102 ALA 3.75 2.01 1 103 TRP 2.32 2.47 1 104 ILE -1.19 0.65 1 105 SER 5.11 2.39 1 106 ASN 3.13 2.01 1 107 HIS 2.69 2.47 1 108 ALA 1.16 0.06 1 110 VAL -4.04 -2.55 1 113 ARG -4.13 -1.29 1 114 ILE 0.43 -2.48 1 115 LEU -4.21 -3.41 1 116 LYS -4.64 0.04 1 117 VAL 2.86 -0.19 1 118 HIS 0.98 2.10 1 120 ASP 1.82 0.83 1 121 MET 0.57 -0.02 1 122 ALA 0.16 -1.23 1 123 GLU -1.04 -0.95 1 124 VAL -0.08 -0.88 1 125 ARG 0.71 -1.23 1 126 TRP 0.19 0.20 1 128 SER -0.34 0.28 1 129 LEU 0.61 -0.31 1 130 GLU 0.10 -0.06 1 stop_ save_