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 bmr17005_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 5.79 _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 61 HIS -4.25 2.16 0 10 THR -1.38 -0.61 1 11 ARG -4.94 -1.72 1 13 GLN 4.45 3.53 1 14 ASP 2.43 2.45 1 15 ALA 3.02 2.90 1 16 LYS 3.90 3.10 1 17 ALA 3.83 2.69 1 18 ALA 4.29 2.56 1 19 TYR 3.12 3.59 1 20 ASP 4.15 2.82 1 21 ALA -0.08 -0.46 1 23 ALA 1.16 1.00 1 25 TYR -5.14 -1.83 1 28 LEU -4.59 -2.34 1 29 ILE 2.62 0.41 1 30 PHE 1.21 0.10 1 31 VAL 1.13 0.44 1 32 ALA 3.01 2.87 1 33 THR 0.71 -0.32 1 34 SER -2.26 -1.21 1 36 ARG -0.59 -1.80 1 38 VAL -6.14 -3.45 1 39 ASN -2.90 -2.50 1 40 VAL 7.25 6.08 1 41 GLU 4.68 3.74 1 42 GLN 3.28 2.64 1 43 ALA 2.84 2.82 1 44 GLN 4.92 3.85 1 45 GLU 3.38 2.82 1 46 VAL 6.01 4.73 1 47 MET 1.19 2.27 1 48 ALA 1.67 0.84 1 49 ALA -1.57 0.75 1 50 ALA -3.32 -0.50 1 52 LEU -0.42 -0.72 1 53 GLN -0.57 -0.26 1 54 TYR 0.80 1.95 1 55 VAL -4.71 -2.60 1 57 VAL 0.30 0.26 1 58 PHE -5.91 -1.11 1 59 ARG -2.59 -0.02 1 60 ASN 3.04 1.32 1 62 ASP 0.56 1.43 1 63 ILE 6.16 5.21 1 64 ALA 3.88 2.59 1 65 ASP 1.45 2.95 1 66 VAL 6.13 4.03 1 67 VAL 5.83 4.45 1 68 ASP 2.72 3.91 1 69 LYS 4.00 4.01 1 70 ALA 4.29 3.03 1 71 LYS 3.70 3.46 1 72 VAL 4.46 3.79 1 73 LEU 0.45 -0.96 1 74 SER 2.57 0.33 1 75 LEU 0.97 0.06 1 76 ALA 0.04 0.78 1 77 ALA -3.65 -2.33 1 78 VAL -4.15 -3.32 1 79 GLN -4.11 -1.40 1 80 LEU 0.68 -0.59 1 81 HIS 3.01 3.31 1 83 ASN 5.16 4.54 1 84 GLU 4.17 2.70 1 85 GLU -2.73 -1.93 1 86 GLN 3.10 3.55 1 87 LEU 4.82 3.58 1 88 TYR 3.93 3.50 1 89 ILE 6.04 5.41 1 90 ASP 4.28 3.62 1 91 THR 5.88 4.60 1 92 LEU 3.86 2.76 1 93 ARG 0.52 1.87 1 94 GLU 1.81 1.65 1 95 ALA -1.11 0.43 1 96 LEU -2.64 -0.37 1 98 ALA 2.65 2.66 1 99 HIS 1.18 1.83 1 100 VAL 1.48 0.16 1 101 ALA -3.18 -0.63 1 102 ILE -0.43 0.27 1 103 TRP -7.62 -5.24 1 104 LYS -5.73 -1.67 1 105 ALA -0.60 -1.15 1 106 LEU -1.96 -1.36 1 107 SER -0.06 0.11 1 108 VAL 3.46 2.28 1 110 GLU -1.67 -0.34 1 111 THR 0.37 0.19 1 112 LEU -2.03 -0.46 1 114 ALA 0.88 0.77 1 115 ARG -2.19 -1.46 1 116 GLU -1.17 -0.63 1 117 PHE -1.86 -0.29 1 118 GLN 0.76 0.30 1 119 HIS 4.37 2.48 1 120 VAL 0.40 0.24 1 121 ASP 0.24 2.99 1 122 LYS -2.96 -0.29 1 123 TYR -1.76 -1.19 1 124 VAL -3.65 -2.36 1 125 LEU -0.10 -0.07 1 126 ASP -1.13 0.07 1 127 ASN -0.10 -0.20 1 129 GLN 1.08 0.64 1 132 ALA 0.09 0.24 1 134 SER -0.04 0.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17005_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 4.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 -1.45 _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 61 HIS -4.25 6.41 0 10 THR -1.38 0.77 1 11 ARG -4.94 3.22 1 13 GLN 4.45 -0.92 1 14 ASP 2.43 0.02 1 15 ALA 3.02 -0.12 1 16 LYS 3.90 -0.80 1 17 ALA 3.83 -1.14 1 18 ALA 4.29 -1.73 1 19 TYR 3.12 0.47 1 20 ASP 4.15 -1.33 1 21 ALA -0.08 -0.38 1 23 ALA 1.16 -0.16 1 25 TYR -5.14 3.31 1 28 LEU -4.59 2.25 1 29 ILE 2.62 -2.21 1 30 PHE 1.21 -1.11 1 31 VAL 1.13 -0.69 1 32 ALA 3.01 -0.14 1 33 THR 0.71 -1.03 1 34 SER -2.26 1.05 1 36 ARG -0.59 -1.21 1 38 VAL -6.14 2.69 1 39 ASN -2.90 0.40 1 40 VAL 7.25 -1.17 1 41 GLU 4.68 -0.94 1 42 GLN 3.28 -0.64 1 43 ALA 2.84 -0.02 1 44 GLN 4.92 -1.07 1 45 GLU 3.38 -0.56 1 46 VAL 6.01 -1.28 1 47 MET 1.19 1.08 1 48 ALA 1.67 -0.83 1 49 ALA -1.57 2.32 1 50 ALA -3.32 2.82 1 52 LEU -0.42 -0.30 1 53 GLN -0.57 0.31 1 54 TYR 0.80 1.15 1 55 VAL -4.71 2.11 1 57 VAL 0.30 -0.04 1 58 PHE -5.91 4.80 1 59 ARG -2.59 2.57 1 60 ASN 3.04 -1.72 1 62 ASP 0.56 0.87 1 63 ILE 6.16 -0.95 1 64 ALA 3.88 -1.29 1 65 ASP 1.45 1.50 1 66 VAL 6.13 -2.10 1 67 VAL 5.83 -1.38 1 68 ASP 2.72 1.19 1 69 LYS 4.00 0.01 1 70 ALA 4.29 -1.26 1 71 LYS 3.70 -0.24 1 72 VAL 4.46 -0.67 1 73 LEU 0.45 -1.41 1 74 SER 2.57 -2.24 1 75 LEU 0.97 -0.91 1 76 ALA 0.04 0.74 1 77 ALA -3.65 1.32 1 78 VAL -4.15 0.83 1 79 GLN -4.11 2.71 1 80 LEU 0.68 -1.27 1 81 HIS 3.01 0.30 1 83 ASN 5.16 -0.62 1 84 GLU 4.17 -1.47 1 85 GLU -2.73 0.80 1 86 GLN 3.10 0.45 1 87 LEU 4.82 -1.24 1 88 TYR 3.93 -0.43 1 89 ILE 6.04 -0.63 1 90 ASP 4.28 -0.66 1 91 THR 5.88 -1.28 1 92 LEU 3.86 -1.10 1 93 ARG 0.52 1.35 1 94 GLU 1.81 -0.16 1 95 ALA -1.11 1.54 1 96 LEU -2.64 2.27 1 98 ALA 2.65 0.01 1 99 HIS 1.18 0.65 1 100 VAL 1.48 -1.32 1 101 ALA -3.18 2.55 1 102 ILE -0.43 0.70 1 103 TRP -7.62 2.38 1 104 LYS -5.73 4.06 1 105 ALA -0.60 -0.55 1 106 LEU -1.96 0.60 1 107 SER -0.06 0.17 1 108 VAL 3.46 -1.18 1 110 GLU -1.67 1.33 1 111 THR 0.37 -0.18 1 112 LEU -2.03 1.57 1 114 ALA 0.88 -0.11 1 115 ARG -2.19 0.73 1 116 GLU -1.17 0.54 1 117 PHE -1.86 1.57 1 118 GLN 0.76 -0.46 1 119 HIS 4.37 -1.89 1 120 VAL 0.40 -0.16 1 121 ASP 0.24 2.75 1 122 LYS -2.96 2.67 1 123 TYR -1.76 0.57 1 124 VAL -3.65 1.29 1 125 LEU -0.10 0.03 1 126 ASP -1.13 1.20 1 127 ASN -0.10 -0.10 1 129 GLN 1.08 -0.44 1 132 ALA 0.09 0.15 1 134 SER -0.04 0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17005_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 83 ASN 5.16 0.26 0 61 HIS -4.25 -0.33 0 25 TYR -5.14 1.25 0 103 TRP -7.62 1.30 0 66 VAL 6.13 -1.44 0 10 THR -1.38 0.06 1 11 ARG -4.94 0.50 1 13 GLN 4.45 -0.19 1 14 ASP 2.43 -0.02 1 15 ALA 3.02 -0.24 1 16 LYS 3.90 -0.33 1 17 ALA 3.83 -0.07 1 18 ALA 4.29 -0.12 1 19 TYR 3.12 -0.37 1 20 ASP 4.15 -0.37 1 21 ALA -0.08 0.13 1 23 ALA 1.16 -0.19 1 28 LEU -4.59 0.20 1 29 ILE 2.62 -0.49 1 30 PHE 1.21 0.42 1 31 VAL 1.13 0.03 1 32 ALA 3.01 0.22 1 33 THR 0.71 -0.14 1 34 SER -2.26 0.04 1 36 ARG -0.59 -0.11 1 38 VAL -6.14 0.77 1 39 ASN -2.90 0.34 1 40 VAL 7.25 -0.44 1 41 GLU 4.68 -0.19 1 42 GLN 3.28 -0.18 1 43 ALA 2.84 -0.55 1 44 GLN 4.92 -0.49 1 45 GLU 3.38 -0.32 1 46 VAL 6.01 -1.14 1 47 MET 1.19 -0.67 1 48 ALA 1.67 -0.26 1 49 ALA -1.57 -0.15 1 50 ALA -3.32 -0.07 1 52 LEU -0.42 -0.15 1 53 GLN -0.57 0.17 1 54 TYR 0.80 0.71 1 55 VAL -4.71 0.53 1 57 VAL 0.30 0.60 1 58 PHE -5.91 0.06 1 59 ARG -2.59 0.19 1 60 ASN 3.04 -0.67 1 62 ASP 0.56 -0.11 1 63 ILE 6.16 -0.91 1 64 ALA 3.88 -0.41 1 65 ASP 1.45 -0.04 1 67 VAL 5.83 -0.91 1 68 ASP 2.72 -0.26 1 69 LYS 4.00 -0.60 1 70 ALA 4.29 -0.58 1 71 LYS 3.70 -0.19 1 72 VAL 4.46 -0.37 1 73 LEU 0.45 -0.02 1 74 SER 2.57 -0.31 1 75 LEU 0.97 -0.23 1 76 ALA 0.04 0.26 1 77 ALA -3.65 0.59 1 78 VAL -4.15 0.88 1 79 GLN -4.11 0.80 1 80 LEU 0.68 0.36 1 81 HIS 3.01 -0.17 1 84 GLU 4.17 -0.62 1 85 GLU -2.73 0.25 1 86 GLN 3.10 -0.34 1 87 LEU 4.82 0.00 1 88 TYR 3.93 -0.54 1 89 ILE 6.04 -0.77 1 90 ASP 4.28 -0.41 1 91 THR 5.88 -0.53 1 92 LEU 3.86 -0.58 1 93 ARG 0.52 -0.36 1 94 GLU 1.81 -0.30 1 95 ALA -1.11 -0.08 1 96 LEU -2.64 -0.39 1 98 ALA 2.65 -0.33 1 99 HIS 1.18 -0.19 1 100 VAL 1.48 -0.31 1 101 ALA -3.18 0.22 1 102 ILE -0.43 0.45 1 104 LYS -5.73 0.73 1 105 ALA -0.60 0.56 1 106 LEU -1.96 0.25 1 107 SER -0.06 0.19 1 108 VAL 3.46 -0.15 1 110 GLU -1.67 0.11 1 111 THR 0.37 -0.01 1 112 LEU -2.03 -0.17 1 114 ALA 0.88 -0.21 1 115 ARG -2.19 -0.07 1 116 GLU -1.17 -0.10 1 117 PHE -1.86 0.16 1 118 GLN 0.76 -0.05 1 119 HIS 4.37 -0.37 1 120 VAL 0.40 -0.09 1 121 ASP 0.24 -0.05 1 122 LYS -2.96 -0.10 1 123 TYR -1.76 0.82 1 124 VAL -3.65 0.22 1 125 LEU -0.10 0.12 1 126 ASP -1.13 0.07 1 127 ASN -0.10 0.07 1 129 GLN 1.08 -0.04 1 132 ALA 0.09 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17005_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.62 _LACS_plot.Line_1_terminator_val_y_1 -2.67 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 2.27 _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 34 SER -2.26 2.89 0 103 TRP -7.62 -0.66 0 61 HIS -4.25 2.39 0 10 THR -1.38 -0.60 1 11 ARG -4.94 1.34 1 13 GLN 4.45 2.49 1 14 ASP 2.43 2.21 1 15 ALA 3.02 0.68 1 16 LYS 3.90 0.94 1 17 ALA 3.83 2.98 1 18 ALA 4.29 1.78 1 19 TYR 3.12 3.92 1 20 ASP 4.15 1.01 1 21 ALA -0.08 -0.05 1 23 ALA 1.16 -1.85 1 25 TYR -5.14 -0.14 1 28 LEU -4.59 -3.84 1 29 ILE 2.62 -2.94 1 30 PHE 1.21 0.02 1 31 VAL 1.13 0.34 1 32 ALA 3.01 0.70 1 33 THR 0.71 0.55 1 36 ARG -0.59 -3.54 1 38 VAL -6.14 -1.05 1 39 ASN -2.90 1.04 1 40 VAL 7.25 0.35 1 41 GLU 4.68 3.69 1 42 GLN 3.28 3.15 1 43 ALA 2.84 1.12 1 44 GLN 4.92 3.07 1 45 GLU 3.38 2.04 1 46 VAL 6.01 0.65 1 47 MET 1.19 1.97 1 48 ALA 1.67 0.85 1 49 ALA -1.57 0.14 1 50 ALA -3.32 -0.29 1 52 LEU -0.42 -2.23 1 53 GLN -0.57 -0.19 1 54 TYR 0.80 -0.83 1 55 VAL -4.71 -0.38 1 57 VAL 0.30 -2.60 1 58 PHE -5.91 -2.08 1 59 ARG -2.59 -3.05 1 60 ASN 3.04 -0.75 1 62 ASP 0.56 1.25 1 63 ILE 6.16 0.43 1 64 ALA 3.88 2.63 1 65 ASP 1.45 1.03 1 66 VAL 6.13 1.26 1 67 VAL 5.83 1.24 1 68 ASP 2.72 2.11 1 69 LYS 4.00 1.77 1 70 ALA 4.29 2.63 1 71 LYS 3.70 2.93 1 72 VAL 4.46 2.21 1 73 LEU 0.45 -2.53 1 74 SER 2.57 0.96 1 75 LEU 0.97 -1.08 1 76 ALA 0.04 0.66 1 77 ALA -3.65 -2.96 1 78 VAL -4.15 -4.09 1 79 GLN -4.11 -2.11 1 80 LEU 0.68 -0.67 1 81 HIS 3.01 0.39 1 83 ASN 5.16 -0.30 1 84 GLU 4.17 -0.04 1 85 GLU -2.73 -0.18 1 86 GLN 3.10 1.17 1 87 LEU 4.82 2.18 1 88 TYR 3.93 1.22 1 89 ILE 6.04 0.76 1 90 ASP 4.28 3.30 1 91 THR 5.88 2.01 1 92 LEU 3.86 -0.29 1 93 ARG 0.52 1.70 1 94 GLU 1.81 0.37 1 95 ALA -1.11 -0.22 1 96 LEU -2.64 -1.00 1 98 ALA 2.65 -0.03 1 99 HIS 1.18 0.64 1 100 VAL 1.48 -1.73 1 101 ALA -3.18 -1.73 1 102 ILE -0.43 -1.56 1 104 LYS -5.73 -2.14 1 105 ALA -0.60 -0.41 1 106 LEU -1.96 -1.05 1 107 SER -0.06 0.37 1 108 VAL 3.46 1.01 1 110 GLU -1.67 0.06 1 111 THR 0.37 -0.95 1 112 LEU -2.03 -1.46 1 114 ALA 0.88 -0.04 1 115 ARG -2.19 -1.96 1 116 GLU -1.17 -0.44 1 117 PHE -1.86 0.71 1 118 GLN 0.76 0.56 1 119 HIS 4.37 -0.05 1 120 VAL 0.40 -0.42 1 121 ASP 0.24 -0.65 1 122 LYS -2.96 -3.51 1 123 TYR -1.76 -0.03 1 124 VAL -3.65 -1.67 1 125 LEU -0.10 -0.62 1 126 ASP -1.13 -0.52 1 127 ASN -0.10 1.18 1 129 GLN 1.08 0.70 1 132 ALA 0.09 0.42 1 134 SER -0.04 -0.35 1 stop_ save_