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 bmr19801_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.40 _LACS_plot.Line_1_terminator_val_y_1 -2.12 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.33 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 MET 2.46 -0.74 0 26 LEU 0.57 -2.29 0 10 VAL -0.03 0.01 1 12 ALA -0.57 -0.24 1 15 ALA 0.25 0.18 1 18 GLN 0.18 0.11 1 19 GLN -0.12 0.10 1 20 VAL -0.21 0.11 1 21 ASP -0.65 -0.90 1 22 LEU 2.74 2.49 1 23 ALA 2.56 1.62 1 24 SER 1.96 1.80 1 25 VAL -0.69 0.59 1 27 THR 0.80 -0.44 1 29 GLU 4.01 3.25 1 30 ILE 2.24 2.14 1 31 MET 0.68 -1.60 1 32 ALA 9.59 7.40 1 34 ILE 3.29 3.13 1 35 LEU 1.40 1.05 1 36 ALA -0.20 -0.19 1 37 ASN -0.38 1.46 1 38 ALA 3.44 3.22 1 39 ASP 3.98 3.42 1 40 VAL 6.26 4.91 1 41 GLN 8.07 5.52 1 42 GLU 3.28 3.05 1 43 ARG 1.42 0.57 1 44 LEU 1.72 1.03 1 45 LEU 8.08 6.46 1 47 TYR -0.11 -0.62 1 48 LEU -1.63 0.25 1 50 SER 2.04 1.44 1 52 GLU -2.38 -1.21 1 53 SER -2.51 -0.75 1 54 LEU -1.46 -0.58 1 56 GLN -0.79 0.94 1 57 THR -4.40 -2.12 1 58 ALA 3.61 2.35 1 59 ASP 2.98 2.93 1 60 GLU 1.31 2.14 1 61 ILE 4.79 3.25 1 62 GLN 2.90 2.74 1 63 ASN 0.30 1.63 1 64 THR 1.59 1.86 1 65 LEU 2.39 2.66 1 69 GLN 3.14 2.90 1 70 PHE 5.00 4.17 1 71 GLN 5.25 3.59 1 72 GLN 4.21 3.42 1 73 ALA 5.14 2.87 1 74 LEU 3.34 2.23 1 76 MET 2.97 3.84 1 77 PHE 4.54 4.06 1 78 SER 4.28 3.39 1 79 ALA 4.15 2.35 1 80 ALA 2.83 1.88 1 81 LEU 3.25 2.16 1 82 ALA 2.54 1.59 1 83 SER 0.49 1.53 1 85 GLN 1.19 1.42 1 86 LEU -0.34 -0.53 1 89 LEU 0.07 0.46 1 90 MET 1.49 0.38 1 92 GLN 1.56 0.97 1 93 PHE -0.06 0.67 1 95 LEU 1.54 0.02 1 97 ALA 4.35 3.36 1 98 GLU 3.89 3.27 1 99 ALA 2.98 2.20 1 100 VAL 6.61 5.35 1 101 GLU 3.51 2.77 1 102 ALA 3.66 2.71 1 103 ALA 3.28 2.30 1 104 ASN 3.48 2.91 1 105 LYS -0.16 0.05 1 107 ASP -2.87 -1.94 1 108 VAL 5.22 4.37 1 109 GLU 4.20 3.48 1 110 ALA 2.75 1.84 1 111 PHE 4.97 5.00 1 112 ALA 4.07 3.13 1 113 LYS 3.93 3.09 1 114 ALA 2.11 1.54 1 116 GLN 2.30 2.10 1 117 ASN 1.06 0.78 1 118 ASN -0.11 0.66 1 119 ALA -0.03 0.07 1 120 LYS 0.01 -0.04 1 122 GLU -0.25 0.10 1 123 GLN -0.21 0.03 1 124 LYS -0.01 0.02 1 125 GLU -0.16 0.17 1 127 ASP -0.08 0.15 1 128 THR 0.40 0.29 1 129 LYS 0.55 0.35 1 130 ASP -0.04 0.14 1 131 LYS 0.17 0.07 1 132 LYS 0.14 0.02 1 133 ASP 0.58 0.57 1 134 GLU -0.26 0.12 1 135 GLU -0.35 0.05 1 136 GLU -0.70 -0.04 1 137 ASP 0.12 0.12 1 138 MET 0.22 0.04 1 139 SER 0.45 0.39 1 140 LEU 0.05 -0.01 1 141 ASP 0.43 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19801_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.40 _LACS_plot.Line_1_terminator_val_y_1 2.28 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.26 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 MET 2.46 -3.20 0 26 LEU 0.57 -2.86 0 10 VAL -0.03 0.04 1 12 ALA -0.57 0.33 1 15 ALA 0.25 -0.07 1 18 GLN 0.18 -0.07 1 19 GLN -0.12 0.22 1 20 VAL -0.21 0.32 1 21 ASP -0.65 -0.25 1 22 LEU 2.74 -0.25 1 23 ALA 2.56 -0.94 1 24 SER 1.96 -0.16 1 25 VAL -0.69 1.28 1 27 THR 0.80 -1.24 1 29 GLU 4.01 -0.76 1 30 ILE 2.24 -0.10 1 31 MET 0.68 -2.28 1 32 ALA 9.59 -2.19 1 34 ILE 3.29 -0.16 1 35 LEU 1.40 -0.35 1 36 ALA -0.20 0.01 1 37 ASN -0.38 1.84 1 38 ALA 3.44 -0.22 1 39 ASP 3.98 -0.56 1 40 VAL 6.26 -1.35 1 41 GLN 8.07 -2.55 1 42 GLU 3.28 -0.23 1 43 ARG 1.42 -0.85 1 44 LEU 1.72 -0.69 1 45 LEU 8.08 -1.62 1 47 TYR -0.11 -0.51 1 48 LEU -1.63 1.88 1 50 SER 2.04 -0.60 1 52 GLU -2.38 1.17 1 53 SER -2.51 1.76 1 54 LEU -1.46 0.88 1 56 GLN -0.79 1.73 1 57 THR -4.40 2.28 1 58 ALA 3.61 -1.26 1 59 ASP 2.98 -0.05 1 60 GLU 1.31 0.83 1 61 ILE 4.79 -1.54 1 62 GLN 2.90 -0.16 1 63 ASN 0.30 1.33 1 64 THR 1.59 0.27 1 65 LEU 2.39 0.27 1 69 GLN 3.14 -0.24 1 70 PHE 5.00 -0.83 1 71 GLN 5.25 -1.66 1 72 GLN 4.21 -0.79 1 73 ALA 5.14 -2.27 1 74 LEU 3.34 -1.11 1 76 MET 2.97 0.87 1 77 PHE 4.54 -0.48 1 78 SER 4.28 -0.89 1 79 ALA 4.15 -1.80 1 80 ALA 2.83 -0.95 1 81 LEU 3.25 -1.09 1 82 ALA 2.54 -0.95 1 83 SER 0.49 1.04 1 85 GLN 1.19 0.23 1 86 LEU -0.34 -0.19 1 89 LEU 0.07 0.39 1 90 MET 1.49 -1.11 1 92 GLN 1.56 -0.59 1 93 PHE -0.06 0.73 1 95 LEU 1.54 -1.52 1 97 ALA 4.35 -0.99 1 98 GLU 3.89 -0.62 1 99 ALA 2.98 -0.78 1 100 VAL 6.61 -1.26 1 101 GLU 3.51 -0.74 1 102 ALA 3.66 -0.95 1 103 ALA 3.28 -0.98 1 104 ASN 3.48 -0.57 1 105 LYS -0.16 0.21 1 107 ASP -2.87 0.93 1 108 VAL 5.22 -0.85 1 109 GLU 4.20 -0.72 1 110 ALA 2.75 -0.91 1 111 PHE 4.97 0.03 1 112 ALA 4.07 -0.94 1 113 LYS 3.93 -0.84 1 114 ALA 2.11 -0.57 1 116 GLN 2.30 -0.20 1 117 ASN 1.06 -0.28 1 118 ASN -0.11 0.77 1 119 ALA -0.03 0.10 1 120 LYS 0.01 -0.05 1 122 GLU -0.25 0.35 1 123 GLN -0.21 0.24 1 124 LYS -0.01 0.03 1 125 GLU -0.16 0.33 1 127 ASP -0.08 0.23 1 128 THR 0.40 -0.11 1 129 LYS 0.55 -0.20 1 130 ASP -0.04 0.18 1 131 LYS 0.17 -0.10 1 132 LYS 0.14 -0.12 1 133 ASP 0.58 -0.01 1 134 GLU -0.26 0.38 1 135 GLU -0.35 0.40 1 136 GLU -0.70 0.66 1 137 ASP 0.12 0.00 1 138 MET 0.22 -0.18 1 139 SER 0.45 -0.06 1 140 LEU 0.05 -0.06 1 141 ASP 0.43 1.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19801_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.40 _LACS_plot.Line_1_terminator_val_y_1 0.39 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _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 34 ILE 3.29 -1.07 0 10 VAL -0.03 -0.01 1 12 ALA -0.57 0.04 1 15 ALA 0.25 0.03 1 18 GLN 0.18 0.00 1 19 GLN -0.12 0.04 1 20 VAL -0.21 -0.10 1 21 ASP -0.65 0.09 1 22 LEU 2.74 -0.27 1 23 ALA 2.56 -0.13 1 24 SER 1.96 -0.13 1 25 VAL -0.69 0.21 1 26 LEU 0.57 0.12 1 27 THR 0.80 0.02 1 29 GLU 4.01 -0.50 1 30 ILE 2.24 -0.35 1 31 MET 0.68 0.05 1 32 ALA 9.59 -0.53 1 35 LEU 1.40 -0.43 1 36 ALA -0.20 -0.31 1 37 ASN -0.38 -0.15 1 38 ALA 3.44 -0.33 1 39 ASP 3.98 -0.11 1 40 VAL 6.26 -0.72 1 41 GLN 8.07 -0.66 1 42 GLU 3.28 -0.29 1 43 ARG 1.42 -0.11 1 44 LEU 1.72 0.10 1 45 LEU 8.08 -0.57 1 47 TYR -0.11 -0.15 1 48 LEU -1.63 -0.04 1 50 SER 2.04 -0.27 1 52 GLU -2.38 0.23 1 53 SER -2.51 0.22 1 54 LEU -1.46 0.01 1 56 GLN -0.79 0.12 1 57 THR -4.40 0.39 1 58 ALA 3.61 -0.37 1 59 ASP 2.98 -0.32 1 60 GLU 1.31 -0.20 1 61 ILE 4.79 -0.52 1 62 GLN 2.90 -0.45 1 63 ASN 0.30 0.10 1 64 THR 1.59 0.12 1 65 LEU 2.39 -0.23 1 69 GLN 3.14 -0.14 1 70 PHE 5.00 -0.46 1 71 GLN 5.25 -0.63 1 72 GLN 4.21 -0.19 1 73 ALA 5.14 -0.17 1 74 LEU 3.34 -0.51 1 76 MET 2.97 -0.47 1 77 PHE 4.54 -0.87 1 78 SER 4.28 -0.86 1 79 ALA 4.15 -0.44 1 80 ALA 2.83 -0.43 1 81 LEU 3.25 -0.69 1 82 ALA 2.54 0.01 1 83 SER 0.49 -0.02 1 85 GLN 1.19 -0.10 1 86 LEU -0.34 0.10 1 89 LEU 0.07 0.05 1 90 MET 1.49 0.48 1 92 GLN 1.56 0.02 1 93 PHE -0.06 0.22 1 95 LEU 1.54 -0.20 1 97 ALA 4.35 -0.31 1 98 GLU 3.89 -0.28 1 99 ALA 2.98 -0.32 1 100 VAL 6.61 -0.72 1 101 GLU 3.51 -0.15 1 102 ALA 3.66 -0.07 1 103 ALA 3.28 -0.42 1 104 ASN 3.48 -0.16 1 105 LYS -0.16 0.04 1 107 ASP -2.87 0.11 1 108 VAL 5.22 -0.64 1 109 GLU 4.20 -0.35 1 110 ALA 2.75 -0.23 1 111 PHE 4.97 -0.81 1 112 ALA 4.07 -0.56 1 113 LYS 3.93 -0.36 1 114 ALA 2.11 -0.22 1 115 MET 2.46 -0.07 1 116 GLN 2.30 -0.23 1 117 ASN 1.06 -0.09 1 118 ASN -0.11 -0.02 1 119 ALA -0.03 0.00 1 120 LYS 0.01 -0.01 1 122 GLU -0.25 -0.10 1 123 GLN -0.21 0.02 1 124 LYS -0.01 0.04 1 125 GLU -0.16 -0.08 1 127 ASP -0.08 0.05 1 128 THR 0.40 -0.04 1 129 LYS 0.55 0.04 1 130 ASP -0.04 -0.07 1 131 LYS 0.17 -0.01 1 132 LYS 0.14 0.03 1 133 ASP 0.58 -0.04 1 134 GLU -0.26 -0.05 1 135 GLU -0.35 -0.04 1 136 GLU -0.70 -0.08 1 137 ASP 0.12 -0.03 1 138 MET 0.22 0.05 1 139 SER 0.45 -0.06 1 140 LEU 0.05 0.08 1 141 ASP 0.43 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19801_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.40 _LACS_plot.Line_1_terminator_val_y_1 -1.98 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.75 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 3.91 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 ALA 9.59 -0.73 0 10 VAL -0.03 -0.66 1 12 ALA -0.57 0.08 1 15 ALA 0.25 0.59 1 18 GLN 0.18 -0.17 1 19 GLN -0.12 -0.22 1 20 VAL -0.21 -1.21 1 21 ASP -0.65 1.08 1 22 LEU 2.74 0.66 1 23 ALA 2.56 0.34 1 24 SER 1.96 -0.31 1 25 VAL -0.69 -1.15 1 26 LEU 0.57 -3.78 1 27 THR 0.80 0.77 1 29 GLU 4.01 2.01 1 30 ILE 2.24 0.81 1 31 MET 0.68 2.28 1 34 ILE 3.29 0.51 1 35 LEU 1.40 -0.73 1 36 ALA -0.20 -1.30 1 37 ASN -0.38 0.41 1 38 ALA 3.44 1.91 1 39 ASP 3.98 2.92 1 40 VAL 6.26 2.26 1 41 GLN 8.07 2.61 1 42 GLU 3.28 2.08 1 43 ARG 1.42 0.59 1 44 LEU 1.72 -0.07 1 45 LEU 8.08 0.26 1 47 TYR -0.11 -0.93 1 48 LEU -1.63 -0.60 1 50 SER 2.04 1.43 1 52 GLU -2.38 -1.43 1 53 SER -2.51 -1.15 1 54 LEU -1.46 -0.70 1 56 GLN -0.79 0.32 1 57 THR -4.40 -0.29 1 58 ALA 3.61 1.55 1 59 ASP 2.98 1.62 1 60 GLU 1.31 2.97 1 61 ILE 4.79 -0.49 1 62 GLN 2.90 1.13 1 63 ASN 0.30 1.22 1 64 THR 1.59 0.20 1 65 LEU 2.39 2.27 1 69 GLN 3.14 3.12 1 70 PHE 5.00 1.02 1 71 GLN 5.25 3.44 1 72 GLN 4.21 2.83 1 73 ALA 5.14 1.82 1 74 LEU 3.34 2.14 1 76 MET 2.97 0.59 1 77 PHE 4.54 0.08 1 78 SER 4.28 1.04 1 79 ALA 4.15 2.28 1 80 ALA 2.83 2.90 1 81 LEU 3.25 3.34 1 82 ALA 2.54 0.24 1 83 SER 0.49 1.16 1 85 GLN 1.19 0.69 1 86 LEU -0.34 0.25 1 89 LEU 0.07 0.86 1 90 MET 1.49 1.08 1 92 GLN 1.56 -0.07 1 93 PHE -0.06 -0.33 1 95 LEU 1.54 -1.71 1 97 ALA 4.35 2.60 1 98 GLU 3.89 3.26 1 99 ALA 2.98 0.73 1 100 VAL 6.61 2.06 1 101 GLU 3.51 2.35 1 102 ALA 3.66 2.36 1 103 ALA 3.28 2.53 1 104 ASN 3.48 1.59 1 105 LYS -0.16 0.12 1 107 ASP -2.87 -0.98 1 108 VAL 5.22 0.91 1 109 GLU 4.20 2.55 1 110 ALA 2.75 2.60 1 111 PHE 4.97 -0.19 1 112 ALA 4.07 1.50 1 113 LYS 3.93 2.23 1 114 ALA 2.11 1.91 1 115 MET 2.46 1.79 1 116 GLN 2.30 0.94 1 117 ASN 1.06 0.17 1 118 ASN -0.11 -0.82 1 119 ALA -0.03 -0.57 1 120 LYS 0.01 -0.32 1 122 GLU -0.25 -0.18 1 123 GLN -0.21 -0.36 1 124 LYS -0.01 -0.10 1 125 GLU -0.16 0.36 1 127 ASP -0.08 0.42 1 128 THR 0.40 0.00 1 129 LYS 0.55 -0.35 1 130 ASP -0.04 -0.39 1 131 LYS 0.17 -0.18 1 132 LYS 0.14 -0.20 1 133 ASP 0.58 -0.07 1 134 GLU -0.26 -0.15 1 135 GLU -0.35 -0.08 1 136 GLU -0.70 -0.52 1 137 ASP 0.12 -0.05 1 138 MET 0.22 -0.04 1 139 SER 0.45 -0.12 1 140 LEU 0.05 -1.30 1 141 ASP 0.43 4.57 1 stop_ save_