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 bmr34181_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.42 _LACS_plot.Line_1_terminator_val_y_1 -1.45 _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 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.84 _LACS_plot.Line_2_terminator_val_y_2 6.05 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 MET 5.03 6.00 0 67 ARG -0.35 -2.15 0 25 LEU -0.58 -2.35 0 10 MET 3.73 1.84 1 11 ASP 4.31 4.22 1 12 SER 4.32 3.30 1 13 ARG 4.21 3.76 1 14 LEU 4.89 3.06 1 15 GLN 4.83 3.82 1 16 ARG 5.52 3.69 1 17 ILE 4.75 4.67 1 18 HIS 2.33 3.13 1 19 ALA 4.15 2.83 1 20 GLU 1.70 2.58 1 21 ILE 5.44 5.40 1 22 LYS 5.15 3.71 1 23 ASN 2.65 2.53 1 24 SER 4.26 3.52 1 26 LYS 0.41 0.52 1 27 ILE 3.22 3.34 1 28 ASP 1.48 0.64 1 30 LEU 0.42 1.12 1 31 ASP -1.74 -1.89 1 32 VAL 5.19 4.49 1 33 ASN 4.84 3.69 1 34 ARG 2.74 2.78 1 36 ILE 6.70 6.01 1 37 GLU 3.81 3.36 1 38 ALA 3.47 2.86 1 39 LEU 3.91 2.82 1 40 ASP 4.95 3.16 1 41 GLU 4.37 3.18 1 42 LEU 4.22 2.95 1 43 ALA 2.19 1.86 1 44 SER 0.39 1.09 1 45 LEU -1.36 -0.53 1 46 GLN 1.11 -0.76 1 47 VAL -1.59 -0.66 1 48 THR -3.42 -1.47 1 49 MET 4.43 4.00 1 50 GLN 5.23 3.89 1 51 GLN 3.42 2.67 1 52 ALA 3.49 2.98 1 53 GLN 3.59 2.76 1 54 LYS 1.24 1.00 1 55 HIS -0.17 0.75 1 56 THR 5.78 4.34 1 57 GLU 4.73 3.12 1 58 MET 3.03 2.69 1 59 ILE 6.37 4.41 1 60 THR 6.70 5.18 1 61 THR 7.21 5.00 1 62 LEU 3.06 2.90 1 63 LYS 2.67 3.05 1 64 LYS 3.37 2.92 1 65 ILE 5.10 3.10 1 66 ARG 2.75 2.92 1 68 PHE -0.16 -1.12 1 69 LYS 2.55 1.99 1 70 VAL 2.37 1.40 1 71 SER -3.03 -2.49 1 72 GLN 4.60 3.44 1 73 VAL 4.85 4.02 1 74 ILE 6.26 5.21 1 76 GLU 3.44 3.39 1 77 LYS 2.89 4.21 1 79 THR 7.84 6.78 1 80 MET 4.87 4.06 1 81 LEU 1.41 2.89 1 82 TYR 5.20 5.22 1 83 ASN 4.04 2.72 1 84 LYS 4.50 3.63 1 85 PHE 4.69 3.75 1 86 LYS 4.77 3.67 1 87 ASN 3.29 2.68 1 88 MET 2.82 3.33 1 89 PHE 1.61 1.84 1 90 LEU 1.43 1.02 1 91 VAL 1.35 0.97 1 93 GLU -0.04 0.27 1 95 ASP 0.20 0.39 1 96 SER 0.34 0.44 1 97 VAL 1.26 0.85 1 98 ILE 0.99 0.59 1 99 THR 1.02 0.81 1 100 GLN 0.58 0.60 1 101 VAL 1.05 0.70 1 102 LEU 0.37 0.35 1 103 ASN 0.22 0.19 1 104 LYS 0.68 0.50 1 105 SER 0.27 0.37 1 117 PHE 0.30 0.39 1 118 ASP -0.04 0.14 1 119 ALA 1.10 0.98 1 120 ALA 1.01 0.74 1 121 LEU 0.58 0.45 1 122 GLN 0.75 0.52 1 123 VAL 0.81 0.64 1 124 SER 0.39 0.43 1 125 ALA 0.60 0.58 1 126 ALA 0.66 0.57 1 127 ILE 1.19 0.96 1 129 THR 2.33 2.03 1 130 ASN 2.25 1.61 1 131 LEU 2.44 1.96 1 132 ARG 3.94 3.09 1 133 ARG 3.08 2.33 1 134 PHE 2.78 2.52 1 136 ALA 2.21 1.63 1 137 VAL 2.86 2.27 1 138 PHE 0.47 0.33 1 140 GLU -1.56 -0.66 1 141 SER 0.17 0.33 1 149 GLU -0.07 0.32 1 150 ASP 0.16 0.17 1 151 GLU -0.50 0.17 1 152 GLN -0.85 -0.11 1 153 PHE -1.86 -0.22 1 154 LEU -0.62 -0.40 1 156 PHE -0.20 1.13 1 158 SER 0.54 0.63 1 159 ASP 0.53 0.42 1 160 GLU -0.06 0.29 1 161 GLU -0.44 0.06 1 162 VAL 0.79 0.31 1 163 ARG -0.31 -0.15 1 164 VAL 0.55 0.35 1 165 ARG 0.64 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34181_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.42 _LACS_plot.Line_1_terminator_val_y_1 1.97 _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 0.71 _LACS_plot.Line_2_terminator_val_x_2 7.84 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 MET 5.03 0.97 0 67 ARG -0.35 -1.80 0 25 LEU -0.58 -1.77 0 10 MET 3.73 -1.89 1 11 ASP 4.31 -0.09 1 12 SER 4.32 -1.02 1 13 ARG 4.21 -0.45 1 14 LEU 4.89 -1.83 1 15 GLN 4.83 -1.01 1 16 ARG 5.52 -1.83 1 17 ILE 4.75 -0.08 1 18 HIS 2.33 0.80 1 19 ALA 4.15 -1.32 1 20 GLU 1.70 0.88 1 21 ILE 5.44 -0.04 1 22 LYS 5.15 -1.44 1 23 ASN 2.65 -0.12 1 24 SER 4.26 -0.74 1 26 LYS 0.41 0.11 1 27 ILE 3.22 0.12 1 28 ASP 1.48 -0.84 1 30 LEU 0.42 0.70 1 31 ASP -1.74 -0.15 1 32 VAL 5.19 -0.70 1 33 ASN 4.84 -1.15 1 34 ARG 2.74 0.04 1 36 ILE 6.70 -0.69 1 37 GLU 3.81 -0.45 1 38 ALA 3.47 -0.61 1 39 LEU 3.91 -1.09 1 40 ASP 4.95 -1.79 1 41 GLU 4.37 -1.19 1 42 LEU 4.22 -1.27 1 43 ALA 2.19 -0.33 1 44 SER 0.39 0.70 1 45 LEU -1.36 0.83 1 46 GLN 1.11 -1.87 1 47 VAL -1.59 0.93 1 48 THR -3.42 1.95 1 49 MET 4.43 -0.43 1 50 GLN 5.23 -1.34 1 51 GLN 3.42 -0.75 1 52 ALA 3.49 -0.51 1 53 GLN 3.59 -0.83 1 54 LYS 1.24 -0.24 1 55 HIS -0.17 0.92 1 56 THR 5.78 -1.44 1 57 GLU 4.73 -1.61 1 58 MET 3.03 -0.34 1 59 ILE 6.37 -1.96 1 60 THR 6.70 -1.52 1 61 THR 7.21 -2.21 1 62 LEU 3.06 -0.16 1 63 LYS 2.67 0.38 1 64 LYS 3.37 -0.45 1 65 ILE 5.10 -2.00 1 66 ARG 2.75 0.17 1 68 PHE -0.16 -0.96 1 69 LYS 2.55 -0.56 1 70 VAL 2.37 -0.97 1 71 SER -3.03 0.54 1 72 GLN 4.60 -1.16 1 73 VAL 4.85 -0.83 1 74 ILE 6.26 -1.05 1 76 GLU 3.44 -0.05 1 77 LYS 2.89 1.32 1 79 THR 7.84 -1.06 1 80 MET 4.87 -0.81 1 81 LEU 1.41 1.48 1 82 TYR 5.20 0.02 1 83 ASN 4.04 -1.32 1 84 LYS 4.50 -0.87 1 85 PHE 4.69 -0.94 1 86 LYS 4.77 -1.10 1 87 ASN 3.29 -0.61 1 88 MET 2.82 0.51 1 89 PHE 1.61 0.23 1 90 LEU 1.43 -0.41 1 91 VAL 1.35 -0.38 1 93 GLU -0.04 0.31 1 95 ASP 0.20 0.19 1 96 SER 0.34 0.10 1 97 VAL 1.26 -0.41 1 98 ILE 0.99 -0.40 1 99 THR 1.02 -0.21 1 100 GLN 0.58 0.02 1 101 VAL 1.05 -0.35 1 102 LEU 0.37 -0.02 1 103 ASN 0.22 -0.03 1 104 LYS 0.68 -0.18 1 105 SER 0.27 0.10 1 117 PHE 0.30 0.09 1 118 ASP -0.04 0.18 1 119 ALA 1.10 -0.12 1 120 ALA 1.01 -0.27 1 121 LEU 0.58 -0.13 1 122 GLN 0.75 -0.23 1 123 VAL 0.81 -0.17 1 124 SER 0.39 0.04 1 125 ALA 0.60 -0.02 1 126 ALA 0.66 -0.09 1 127 ILE 1.19 -0.23 1 129 THR 2.33 -0.30 1 130 ASN 2.25 -0.64 1 131 LEU 2.44 -0.48 1 132 ARG 3.94 -0.85 1 133 ARG 3.08 -0.75 1 134 PHE 2.78 -0.26 1 136 ALA 2.21 -0.58 1 137 VAL 2.86 -0.59 1 138 PHE 0.47 -0.14 1 140 GLU -1.56 0.90 1 141 SER 0.17 0.16 1 149 GLU -0.07 0.39 1 150 ASP 0.16 0.01 1 151 GLU -0.50 0.67 1 152 GLN -0.85 0.74 1 153 PHE -1.86 1.64 1 154 LEU -0.62 0.22 1 156 PHE -0.20 1.33 1 158 SER 0.54 0.09 1 159 ASP 0.53 -0.11 1 160 GLU -0.06 0.35 1 161 GLU -0.44 0.50 1 162 VAL 0.79 -0.48 1 163 ARG -0.31 0.16 1 164 VAL 0.55 -0.20 1 165 ARG 0.64 0.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34181_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.42 _LACS_plot.Line_1_terminator_val_y_1 0.33 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.84 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 63 LYS 2.67 -1.40 0 58 MET 3.03 -1.48 0 10 MET 3.73 -0.07 1 11 ASP 4.31 -0.19 1 12 SER 4.32 -0.23 1 13 ARG 4.21 -0.27 1 14 LEU 4.89 -0.48 1 15 GLN 4.83 -0.05 1 16 ARG 5.52 -0.18 1 17 ILE 4.75 -0.55 1 18 HIS 2.33 -0.43 1 19 ALA 4.15 -0.54 1 20 GLU 1.70 -0.35 1 21 ILE 5.44 -0.59 1 22 LYS 5.15 -0.72 1 23 ASN 2.65 -0.31 1 24 SER 4.26 -0.08 1 25 LEU -0.58 0.41 1 26 LYS 0.41 0.28 1 27 ILE 3.22 -0.46 1 28 ASP 1.48 -0.11 1 30 LEU 0.42 0.02 1 31 ASP -1.74 0.26 1 32 VAL 5.19 -0.55 1 33 ASN 4.84 -0.26 1 34 ARG 2.74 -0.20 1 36 ILE 6.70 -0.78 1 37 GLU 3.81 -0.23 1 38 ALA 3.47 0.10 1 39 LEU 3.91 -0.38 1 40 ASP 4.95 -0.15 1 41 GLU 4.37 -0.33 1 42 LEU 4.22 -0.31 1 43 ALA 2.19 -0.27 1 44 SER 0.39 -0.01 1 45 LEU -1.36 0.08 1 46 GLN 1.11 0.15 1 47 VAL -1.59 0.36 1 48 THR -3.42 0.25 1 49 MET 4.43 -0.54 1 50 GLN 5.23 -0.36 1 51 GLN 3.42 -0.16 1 52 ALA 3.49 -0.51 1 53 GLN 3.59 -0.48 1 54 LYS 1.24 -0.06 1 55 HIS -0.17 0.21 1 56 THR 5.78 -0.60 1 57 GLU 4.73 -0.26 1 59 ILE 6.37 -0.71 1 60 THR 6.70 -0.50 1 61 THR 7.21 0.14 1 62 LEU 3.06 -0.42 1 64 LYS 3.37 -0.46 1 65 ILE 5.10 -0.40 1 66 ARG 2.75 -0.09 1 67 ARG -0.35 0.25 1 68 PHE -0.16 0.81 1 69 LYS 2.55 -0.06 1 70 VAL 2.37 -0.53 1 71 SER -3.03 0.48 1 72 GLN 4.60 -0.22 1 73 VAL 4.85 -0.17 1 74 ILE 6.26 -0.61 1 75 MET 5.03 -0.37 1 76 GLU 3.44 -0.23 1 77 LYS 2.89 -0.10 1 79 THR 7.84 -0.54 1 80 MET 4.87 -0.26 1 81 LEU 1.41 -0.35 1 82 TYR 5.20 -0.41 1 83 ASN 4.04 -0.47 1 84 LYS 4.50 -0.34 1 85 PHE 4.69 -0.15 1 86 LYS 4.77 -1.47 1 87 ASN 3.29 -0.33 1 88 MET 2.82 -0.40 1 89 PHE 1.61 -0.20 1 90 LEU 1.43 -0.14 1 91 VAL 1.35 -0.06 1 93 GLU -0.04 -0.09 1 95 ASP 0.20 0.00 1 96 SER 0.34 -0.01 1 97 VAL 1.26 -0.02 1 98 ILE 0.99 0.01 1 99 THR 1.02 -0.07 1 100 GLN 0.58 0.02 1 101 VAL 1.05 -0.05 1 102 LEU 0.37 0.01 1 103 ASN 0.22 -0.03 1 104 LYS 0.68 0.04 1 117 PHE 0.30 -0.02 1 118 ASP -0.04 -0.10 1 119 ALA 1.10 -0.15 1 120 ALA 1.01 -0.09 1 121 LEU 0.58 -0.06 1 122 GLN 0.75 -0.01 1 123 VAL 0.81 0.00 1 124 SER 0.39 -0.06 1 125 ALA 0.60 -0.01 1 126 ALA 0.66 0.00 1 127 ILE 1.19 -0.02 1 129 THR 2.33 -0.15 1 130 ASN 2.25 -0.06 1 131 LEU 2.44 -0.02 1 132 ARG 3.94 -0.24 1 133 ARG 3.08 -0.18 1 134 PHE 2.78 -0.26 1 136 ALA 2.21 -0.16 1 137 VAL 2.86 -0.44 1 138 PHE 0.47 0.21 1 140 GLU -1.56 0.20 1 149 GLU -0.07 -0.09 1 150 ASP 0.16 -0.03 1 151 GLU -0.50 -0.07 1 152 GLN -0.85 0.27 1 153 PHE -1.86 0.17 1 154 LEU -0.62 0.00 1 156 PHE -0.20 0.09 1 158 SER 0.54 -0.04 1 159 ASP 0.53 0.00 1 160 GLU -0.06 -0.10 1 161 GLU -0.44 -0.09 1 162 VAL 0.79 -0.06 1 163 ARG -0.31 0.09 1 164 VAL 0.55 0.01 1 165 ARG 0.64 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34181_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.42 _LACS_plot.Line_1_terminator_val_y_1 -1.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.80 _LACS_plot.Line_2_terminator_val_x_2 7.84 _LACS_plot.Line_2_terminator_val_y_2 3.20 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 ARG 0.64 4.50 0 10 MET 3.73 1.60 1 11 ASP 4.31 1.87 1 12 SER 4.32 2.66 1 13 ARG 4.21 2.22 1 15 GLN 4.83 3.09 1 16 ARG 5.52 2.45 1 17 ILE 4.75 1.19 1 18 HIS 2.33 2.47 1 19 ALA 4.15 2.03 1 20 GLU 1.70 3.46 1 21 ILE 5.44 0.70 1 22 LYS 5.15 2.34 1 23 ASN 2.65 3.03 1 24 SER 4.26 -0.78 1 25 LEU -0.58 -1.99 1 30 LEU 0.42 0.24 1 31 ASP -1.74 -0.65 1 32 VAL 5.19 1.63 1 33 ASN 4.84 2.48 1 34 ARG 2.74 2.24 1 36 ILE 6.70 0.58 1 37 GLU 3.81 3.19 1 38 ALA 3.47 1.72 1 39 LEU 3.91 2.30 1 40 ASP 4.95 3.26 1 41 GLU 4.37 3.90 1 42 LEU 4.22 1.17 1 43 ALA 2.19 0.02 1 44 SER 0.39 -0.39 1 45 LEU -1.36 -0.53 1 46 GLN 1.11 -1.55 1 47 VAL -1.59 -0.13 1 48 THR -3.42 1.00 1 49 MET 4.43 1.41 1 50 GLN 5.23 3.12 1 52 ALA 3.49 0.98 1 53 GLN 3.59 1.02 1 54 LYS 1.24 0.06 1 55 HIS -0.17 1.83 1 56 THR 5.78 2.56 1 57 GLU 4.73 1.84 1 58 MET 3.03 1.06 1 59 ILE 6.37 1.15 1 60 THR 6.70 1.86 1 61 THR 7.21 1.22 1 62 LEU 3.06 -0.48 1 63 LYS 2.67 3.31 1 64 LYS 3.37 2.52 1 65 ILE 5.10 -0.63 1 66 ARG 2.75 0.64 1 67 ARG -0.35 0.38 1 68 PHE -0.16 -2.88 1 69 LYS 2.55 -0.13 1 70 VAL 2.37 -0.68 1 71 SER -3.03 -1.14 1 72 GLN 4.60 1.79 1 73 VAL 4.85 2.03 1 74 ILE 6.26 3.14 1 75 MET 5.03 2.55 1 76 GLU 3.44 3.39 1 77 LYS 2.89 3.21 1 79 THR 7.84 0.79 1 80 MET 4.87 3.38 1 81 LEU 1.41 0.04 1 82 TYR 5.20 0.87 1 83 ASN 4.04 2.18 1 84 LYS 4.50 3.07 1 85 PHE 4.69 1.36 1 86 LYS 4.77 1.66 1 87 ASN 3.29 2.06 1 88 MET 2.82 1.00 1 89 PHE 1.61 0.48 1 90 LEU 1.43 0.18 1 91 VAL 1.35 0.81 1 93 GLU -0.04 0.53 1 95 ASP 0.20 0.26 1 96 SER 0.34 0.13 1 97 VAL 1.26 0.20 1 98 ILE 0.99 0.19 1 99 THR 1.02 -0.04 1 100 GLN 0.58 0.05 1 101 VAL 1.05 0.05 1 102 LEU 0.37 -0.45 1 103 ASN 0.22 0.18 1 105 SER 0.27 0.53 1 117 PHE 0.30 -0.34 1 118 ASP -0.04 0.05 1 119 ALA 1.10 0.39 1 120 ALA 1.01 0.62 1 121 LEU 0.58 0.06 1 122 GLN 0.75 0.39 1 123 VAL 0.81 0.14 1 124 SER 0.39 0.24 1 125 ALA 0.60 0.06 1 126 ALA 0.66 0.41 1 127 ILE 1.19 0.84 1 129 THR 2.33 0.68 1 130 ASN 2.25 1.29 1 131 LEU 2.44 0.75 1 132 ARG 3.94 2.29 1 133 ARG 3.08 1.34 1 134 PHE 2.78 1.08 1 136 ALA 2.21 1.38 1 138 PHE 0.47 0.60 1 140 GLU -1.56 0.20 1 141 SER 0.17 0.66 1 149 GLU -0.07 -0.24 1 150 ASP 0.16 -0.10 1 151 GLU -0.50 -0.53 1 152 GLN -0.85 -1.70 1 153 PHE -1.86 -0.90 1 154 LEU -0.62 -2.40 1 156 PHE -0.20 0.77 1 158 SER 0.54 0.15 1 159 ASP 0.53 0.05 1 160 GLU -0.06 -0.16 1 161 GLU -0.44 -0.15 1 162 VAL 0.79 -0.37 1 163 ARG -0.31 -0.28 1 164 VAL 0.55 -1.08 1 stop_ save_