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 bmr4649_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.43 _LACS_plot.Line_1_terminator_val_y_1 -1.80 _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 -1.12 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 5.05 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 LEU -2.30 1.60 0 38 MET 4.15 0.14 0 12 HIS -2.60 1.48 0 71 HIS 4.77 7.21 0 11 ASN -4.43 -0.86 1 13 ARG -4.12 -1.70 1 15 TRP -0.43 0.68 1 16 GLN -1.84 -1.27 1 18 LYS 4.04 2.96 1 19 ASP 2.42 3.14 1 20 LEU 4.95 2.52 1 21 GLN 4.17 3.30 1 22 ALA 3.91 2.98 1 23 ILE 4.40 4.32 1 24 LYS 3.84 3.92 1 25 GLN 4.12 3.27 1 26 GLU 2.16 2.40 1 27 VAL 2.44 1.68 1 28 SER 3.16 1.80 1 29 GLN 0.72 -0.02 1 30 ALA -1.90 -0.62 1 31 ALA 0.24 0.03 1 34 SER 2.36 1.89 1 36 GLN 4.74 3.64 1 37 PHE 2.45 3.65 1 39 GLN 4.38 3.70 1 40 THR 6.41 5.21 1 41 ILE 4.52 2.55 1 42 ARG 5.70 5.20 1 43 LEU 4.14 3.13 1 44 ALA 4.52 2.90 1 45 VAL 5.87 4.57 1 46 GLN 3.83 3.49 1 47 GLN 3.19 3.11 1 48 PHE 0.55 1.61 1 49 ASP 2.63 2.22 1 51 THR -2.01 -1.14 1 52 ALA 5.66 4.09 1 53 LYS 4.21 3.11 1 54 ASP 2.76 2.93 1 55 LEU 5.38 2.58 1 56 GLN 4.58 2.72 1 57 ASP 3.75 3.43 1 58 LEU 2.85 2.91 1 59 LEU 3.01 4.05 1 60 GLN 2.61 2.18 1 61 TYR 1.71 2.95 1 64 SER -2.05 -0.85 1 65 SER 0.89 -0.95 1 66 LEU 3.47 3.32 1 67 VAL 5.86 4.87 1 68 ALA 4.75 3.28 1 69 SER 4.41 3.52 1 70 LEU 3.01 2.93 1 72 HIS 4.13 4.41 1 73 GLN 3.63 3.37 1 74 GLN 3.72 2.01 1 75 LEU 4.44 2.85 1 76 ASP 4.97 3.80 1 77 SER 4.45 3.46 1 78 LEU 2.79 2.94 1 79 ILE 5.68 5.13 1 80 SER 4.50 3.51 1 81 GLU 2.98 2.99 1 82 ALA 3.66 2.91 1 83 GLU 3.03 3.15 1 84 THR 4.81 4.04 1 85 ARG 2.18 2.34 1 87 ILE -2.05 -0.45 1 88 THR 3.67 3.05 1 89 SER 2.42 1.82 1 90 TYR -2.00 -1.43 1 91 ASN -3.19 -2.55 1 93 LEU 3.05 1.58 1 94 ALA 0.48 -0.51 1 97 LEU 5.54 4.58 1 98 ARG 3.98 3.43 1 99 VAL 2.88 2.71 1 100 GLN 4.79 5.22 1 101 ALA 1.84 1.00 1 102 ASN -0.24 -0.03 1 103 ASN -0.70 -0.63 1 105 GLN 1.94 1.66 1 106 GLN 1.05 -1.73 1 107 GLN 4.00 4.53 1 109 LEU 3.74 2.44 1 110 ARG 6.32 4.86 1 111 ARG 4.50 2.69 1 112 GLU 3.82 2.80 1 113 TYR 5.32 5.40 1 114 GLN 5.04 3.65 1 115 GLN 4.21 3.17 1 116 LEU 3.91 3.26 1 117 TRP 5.10 5.24 1 118 LEU 2.64 3.32 1 119 ALA 3.29 2.30 1 120 ALA 4.55 1.98 1 121 PHE 4.02 4.65 1 122 ALA 2.14 1.65 1 123 ALA -0.92 -0.61 1 124 LEU 2.72 1.28 1 127 SER 0.25 0.52 1 128 ALA -0.40 0.12 1 129 LYS -0.28 0.01 1 130 ASP -0.67 0.17 1 132 SER 1.03 0.93 1 133 TRP -0.68 -0.45 1 134 ALA 0.01 1.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4649_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.43 _LACS_plot.Line_1_terminator_val_y_1 2.63 _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 0.88 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 LEU -2.30 3.90 0 38 MET 4.15 -4.01 0 12 HIS -2.60 4.08 0 71 HIS 4.77 2.44 0 11 ASN -4.43 3.57 1 13 ARG -4.12 2.42 1 15 TRP -0.43 1.11 1 16 GLN -1.84 0.57 1 18 LYS 4.04 -1.08 1 19 ASP 2.42 0.72 1 20 LEU 4.95 -2.43 1 21 GLN 4.17 -0.87 1 22 ALA 3.91 -0.93 1 23 ILE 4.40 -0.08 1 24 LYS 3.84 0.08 1 25 GLN 4.12 -0.85 1 26 GLU 2.16 0.24 1 27 VAL 2.44 -0.76 1 28 SER 3.16 -1.36 1 29 GLN 0.72 -0.74 1 30 ALA -1.90 1.28 1 31 ALA 0.24 -0.21 1 34 SER 2.36 -0.47 1 36 GLN 4.74 -1.10 1 37 PHE 2.45 1.20 1 39 GLN 4.38 -0.68 1 40 THR 6.41 -1.20 1 41 ILE 4.52 -1.97 1 42 ARG 5.70 -0.50 1 43 LEU 4.14 -1.01 1 44 ALA 4.52 -1.62 1 45 VAL 5.87 -1.30 1 46 GLN 3.83 -0.34 1 47 GLN 3.19 -0.08 1 48 PHE 0.55 1.06 1 49 ASP 2.63 -0.41 1 51 THR -2.01 0.87 1 52 ALA 5.66 -1.57 1 53 LYS 4.21 -1.10 1 54 ASP 2.76 0.17 1 55 LEU 5.38 -2.80 1 56 GLN 4.58 -1.86 1 57 ASP 3.75 -0.32 1 58 LEU 2.85 0.06 1 59 LEU 3.01 1.04 1 60 GLN 2.61 -0.43 1 61 TYR 1.71 1.24 1 64 SER -2.05 1.20 1 65 SER 0.89 -1.84 1 66 LEU 3.47 -0.15 1 67 VAL 5.86 -0.99 1 68 ALA 4.75 -1.47 1 69 SER 4.41 -0.89 1 70 LEU 3.01 -0.08 1 72 HIS 4.13 0.28 1 73 GLN 3.63 -0.26 1 74 GLN 3.72 -1.71 1 75 LEU 4.44 -1.59 1 76 ASP 4.97 -1.17 1 77 SER 4.45 -0.99 1 78 LEU 2.79 0.15 1 79 ILE 5.68 -0.55 1 80 SER 4.50 -0.99 1 81 GLU 2.98 0.01 1 82 ALA 3.66 -0.75 1 83 GLU 3.03 0.12 1 84 THR 4.81 -0.77 1 85 ARG 2.18 0.16 1 87 ILE -2.05 1.60 1 88 THR 3.67 -0.62 1 89 SER 2.42 -0.60 1 90 TYR -2.00 0.57 1 91 ASN -3.19 0.64 1 93 LEU 3.05 -1.47 1 94 ALA 0.48 -0.99 1 97 LEU 5.54 -0.96 1 98 ARG 3.98 -0.55 1 99 VAL 2.88 -0.17 1 100 GLN 4.79 0.43 1 101 ALA 1.84 -0.84 1 102 ASN -0.24 0.21 1 103 ASN -0.70 0.07 1 105 GLN 1.94 -0.28 1 106 GLN 1.05 -2.78 1 107 GLN 4.00 0.53 1 109 LEU 3.74 -1.30 1 110 ARG 6.32 -1.46 1 111 ARG 4.50 -1.81 1 112 GLU 3.82 -1.02 1 113 TYR 5.32 0.08 1 114 GLN 5.04 -1.39 1 115 GLN 4.21 -1.04 1 116 LEU 3.91 -0.65 1 117 TRP 5.10 0.14 1 118 LEU 2.64 0.68 1 119 ALA 3.29 -0.99 1 120 ALA 4.55 -2.57 1 121 PHE 4.02 0.63 1 122 ALA 2.14 -0.49 1 123 ALA -0.92 0.31 1 124 LEU 2.72 -1.44 1 127 SER 0.25 0.27 1 128 ALA -0.40 0.52 1 129 LYS -0.28 0.29 1 130 ASP -0.67 0.84 1 132 SER 1.03 -0.10 1 133 TRP -0.68 0.23 1 134 ALA 0.01 1.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4649_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.43 _LACS_plot.Line_1_terminator_val_y_1 0.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 -0.48 _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 71 HIS 4.77 -1.30 0 11 ASN -4.43 0.12 1 12 HIS -2.60 0.34 1 15 TRP -0.43 -0.44 1 16 GLN -1.84 0.20 1 18 LYS 4.04 -0.25 1 19 ASP 2.42 -0.11 1 20 LEU 4.95 -1.11 1 21 GLN 4.17 -0.28 1 22 ALA 3.91 -0.17 1 23 ILE 4.40 -0.54 1 24 LYS 3.84 -0.59 1 25 GLN 4.12 -0.29 1 26 GLU 2.16 -0.23 1 27 VAL 2.44 -0.12 1 28 SER 3.16 -0.37 1 29 GLN 0.72 0.02 1 30 ALA -1.90 0.10 1 34 SER 2.36 -0.15 1 36 GLN 4.74 -0.26 1 37 PHE 2.45 -0.77 1 38 MET 4.15 -0.13 1 39 GLN 4.38 -0.27 1 40 THR 6.41 -0.43 1 41 ILE 4.52 -0.27 1 42 ARG 5.70 -0.30 1 43 LEU 4.14 -0.16 1 44 ALA 4.52 0.20 1 45 VAL 5.87 -0.65 1 46 GLN 3.83 -0.29 1 47 GLN 3.19 -0.45 1 48 PHE 0.55 -0.09 1 49 ASP 2.63 -0.37 1 51 THR -2.01 -0.38 1 52 ALA 5.66 -0.53 1 53 LYS 4.21 -0.29 1 54 ASP 2.76 -0.32 1 55 LEU 5.38 -0.34 1 56 GLN 4.58 0.22 1 57 ASP 3.75 -0.24 1 58 LEU 2.85 -0.60 1 59 LEU 3.01 -0.25 1 60 GLN 2.61 -0.22 1 61 TYR 1.71 -0.38 1 62 LEU -2.30 -0.18 1 64 SER -2.05 -0.06 1 65 SER 0.89 -0.30 1 66 LEU 3.47 -0.16 1 67 VAL 5.86 -0.68 1 68 ALA 4.75 -0.38 1 69 SER 4.41 -0.16 1 70 LEU 3.01 -0.24 1 72 HIS 4.13 -0.50 1 73 GLN 3.63 -0.31 1 74 GLN 3.72 -0.22 1 75 LEU 4.44 -0.58 1 76 ASP 4.97 -0.29 1 77 SER 4.45 -0.20 1 78 LEU 2.79 -0.29 1 79 ILE 5.68 -0.63 1 80 SER 4.50 -0.16 1 81 GLU 2.98 -0.29 1 82 ALA 3.66 -0.29 1 83 GLU 3.03 -0.47 1 84 THR 4.81 -0.30 1 85 ARG 2.18 -0.13 1 87 ILE -2.05 0.09 1 88 THR 3.67 -0.32 1 89 SER 2.42 -0.31 1 90 TYR -2.00 0.13 1 91 ASN -3.19 -0.05 1 93 LEU 3.05 -0.26 1 94 ALA 0.48 0.10 1 97 LEU 5.54 -0.59 1 98 ARG 3.98 -0.99 1 99 VAL 2.88 -0.35 1 100 GLN 4.79 -0.26 1 101 ALA 1.84 -0.45 1 102 ASN -0.24 0.10 1 103 ASN -0.70 -0.02 1 105 GLN 1.94 -0.18 1 106 GLN 1.05 0.33 1 107 GLN 4.00 -0.60 1 109 LEU 3.74 -0.26 1 110 ARG 6.32 -0.41 1 111 ARG 4.50 -0.24 1 112 GLU 3.82 -0.23 1 113 TYR 5.32 -0.80 1 115 GLN 4.21 -0.23 1 116 LEU 3.91 -0.33 1 117 TRP 5.10 -0.81 1 118 LEU 2.64 -0.01 1 119 ALA 3.29 -0.18 1 120 ALA 4.55 -0.63 1 121 PHE 4.02 -0.64 1 122 ALA 2.14 -0.05 1 123 ALA -0.92 -0.01 1 124 LEU 2.72 -0.35 1 127 SER 0.25 -0.18 1 128 ALA -0.40 -0.04 1 129 LYS -0.28 -0.13 1 130 ASP -0.67 -0.11 1 132 SER 1.03 -0.12 1 133 TRP -0.68 0.02 1 134 ALA 0.01 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4649_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.43 _LACS_plot.Line_1_terminator_val_y_1 -0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.89 _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 6.41 _LACS_plot.Line_2_terminator_val_y_2 3.66 _LACS_plot.Y_axis_chem_shift_offset -1.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 GLN 5.04 -0.56 0 11 ASN -4.43 -1.85 0 12 HIS -2.60 0.93 1 15 TRP -0.43 2.57 1 16 GLN -1.84 2.85 1 18 LYS 4.04 3.15 1 19 ASP 2.42 2.28 1 20 LEU 4.95 1.96 1 21 GLN 4.17 3.54 1 22 ALA 3.91 3.72 1 23 ILE 4.40 2.08 1 24 LYS 3.84 3.38 1 25 GLN 4.12 3.70 1 27 VAL 2.44 1.53 1 28 SER 3.16 1.84 1 29 GLN 0.72 -0.06 1 30 ALA -1.90 -0.56 1 36 GLN 4.74 3.34 1 37 PHE 2.45 1.85 1 38 MET 4.15 3.50 1 39 GLN 4.38 3.42 1 40 THR 6.41 3.41 1 41 ILE 4.52 2.31 1 42 ARG 5.70 4.36 1 43 LEU 4.14 2.40 1 44 ALA 4.52 3.39 1 45 VAL 5.87 3.27 1 46 GLN 3.83 2.97 1 47 GLN 3.19 2.96 1 48 PHE 0.55 -1.04 1 51 THR -2.01 0.64 1 52 ALA 5.66 4.13 1 53 LYS 4.21 2.93 1 54 ASP 2.76 5.60 1 55 LEU 5.38 1.17 1 56 GLN 4.58 3.11 1 57 ASP 3.75 3.93 1 58 LEU 2.85 0.79 1 59 LEU 3.01 1.49 1 60 GLN 2.61 1.81 1 61 TYR 1.71 2.16 1 62 LEU -2.30 1.80 1 64 SER -2.05 0.81 1 65 SER 0.89 3.69 1 66 LEU 3.47 2.39 1 67 VAL 5.86 2.31 1 68 ALA 4.75 3.04 1 69 SER 4.41 3.52 1 70 LEU 3.01 3.21 1 71 HIS 4.77 3.43 1 72 HIS 4.13 3.86 1 73 GLN 3.63 3.82 1 74 GLN 3.72 3.12 1 75 LEU 4.44 1.19 1 76 ASP 4.97 4.44 1 77 SER 4.45 3.20 1 78 LEU 2.79 4.14 1 79 ILE 5.68 1.83 1 80 SER 4.50 4.02 1 81 GLU 2.98 2.99 1 82 ALA 3.66 3.12 1 83 GLU 3.03 3.96 1 84 THR 4.81 2.08 1 85 ARG 2.18 3.60 1 87 ILE -2.05 0.96 1 88 THR 3.67 1.38 1 89 SER 2.42 -0.29 1 90 TYR -2.00 -1.69 1 93 LEU 3.05 1.71 1 94 ALA 0.48 -0.42 1 97 LEU 5.54 0.94 1 98 ARG 3.98 0.25 1 99 VAL 2.88 4.91 1 100 GLN 4.79 2.76 1 101 ALA 1.84 0.77 1 102 ASN -0.24 0.52 1 105 GLN 1.94 2.56 1 106 GLN 1.05 0.11 1 109 LEU 3.74 2.16 1 110 ARG 6.32 3.34 1 111 ARG 4.50 3.93 1 112 GLU 3.82 3.50 1 113 TYR 5.32 2.32 1 115 GLN 4.21 4.67 1 116 LEU 3.91 0.42 1 117 TRP 5.10 4.08 1 118 LEU 2.64 2.84 1 119 ALA 3.29 3.88 1 120 ALA 4.55 0.84 1 121 PHE 4.02 2.25 1 122 ALA 2.14 0.80 1 123 ALA -0.92 0.61 1 127 SER 0.25 0.70 1 128 ALA -0.40 0.32 1 129 LYS -0.28 0.21 1 132 SER 1.03 0.70 1 133 TRP -0.68 -0.40 1 stop_ save_