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 bmr5677_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.62 _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 1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 5.86 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 LEU -1.62 -2.40 0 12 ILE 0.52 0.39 1 13 ARG -0.03 -0.15 1 14 SER 0.66 0.59 1 15 ASN 1.08 0.75 1 16 ASP 0.03 0.45 1 17 LYS 2.96 2.35 1 18 VAL 6.15 4.48 1 19 TYR 4.62 4.09 1 20 GLU 3.41 3.14 1 21 ASN 2.48 2.70 1 22 VAL 6.83 5.52 1 23 THR 6.71 5.38 1 25 LEU 2.67 2.79 1 26 VAL 7.05 5.58 1 27 LYS 4.91 4.09 1 28 ALA 4.31 2.90 1 29 VAL 6.37 5.11 1 30 ILE 5.77 4.92 1 31 GLU 3.92 3.33 1 32 MET 3.94 3.81 1 33 SER 5.19 4.37 1 34 SER 2.77 2.54 1 35 LYS 0.27 1.09 1 36 ILE 6.10 5.64 1 42 GLU 4.31 2.99 1 43 GLU -0.73 0.20 1 44 TYR 2.22 1.19 1 47 MET 3.82 4.14 1 48 VAL 5.90 4.51 1 49 LYS 4.92 3.79 1 50 GLU 3.60 3.09 1 51 VAL 5.99 4.66 1 53 LEU 3.77 3.14 1 54 ALA 4.04 2.60 1 55 LEU 3.92 2.94 1 56 ARG 5.51 4.34 1 57 THR 5.99 4.89 1 58 LEU 4.58 3.40 1 59 LEU 5.72 3.54 1 60 ALA 3.82 2.72 1 61 THR 5.80 4.68 1 62 VAL 7.05 5.38 1 63 ASP 4.57 3.74 1 64 GLU 1.66 1.69 1 65 SER 1.26 1.64 1 66 LEU 7.62 6.24 1 68 VAL 0.36 -0.56 1 72 SER 3.77 2.38 1 73 THR 0.53 1.37 1 74 HIS 3.66 4.23 1 75 ARG 5.26 3.74 1 76 GLU 3.41 3.14 1 77 ILE 5.61 4.63 1 78 GLU 3.47 3.04 1 79 MET 3.81 3.19 1 80 ALA 3.00 2.65 1 81 GLN 3.95 4.51 1 82 LYS 4.36 3.69 1 83 LEU 3.52 2.84 1 84 LEU 3.82 3.14 1 85 ASN 3.82 3.74 1 86 SER 5.03 3.77 1 87 ASP 4.24 1.84 1 88 LEU 4.45 2.99 1 89 ALA 4.40 2.92 1 90 GLU 3.02 2.49 1 91 LEU 4.40 3.89 1 92 ILE 5.42 4.56 1 93 ASN 3.80 3.51 1 94 LYS 3.61 1.50 1 95 MET 3.85 4.30 1 96 LYS 4.55 3.58 1 97 LEU 4.11 2.84 1 98 ALA 5.17 3.63 1 99 GLN 2.61 2.96 1 100 GLN 2.73 2.31 1 101 TYR 2.05 0.70 1 102 VAL 2.58 1.92 1 103 MET 2.82 1.02 1 105 SER 3.52 2.54 1 106 LEU 1.12 0.93 1 107 GLN 5.82 4.94 1 108 GLN 4.38 3.11 1 109 GLU 3.35 2.21 1 110 TYR 5.61 4.15 1 111 LYS 4.90 4.54 1 112 LYS 5.40 4.16 1 113 GLN 4.87 3.73 1 114 MET 4.74 4.73 1 115 LEU 4.87 3.39 1 116 THR 6.87 5.18 1 117 ALA 3.81 2.43 1 118 ALA 3.85 2.80 1 119 HIS 4.62 4.12 1 120 ALA 4.19 2.81 1 121 LEU 3.00 3.39 1 122 ALA 4.00 3.22 1 123 VAL 5.25 4.41 1 124 ASP 5.64 2.83 1 125 ALA 4.47 3.16 1 126 LYS 4.65 3.29 1 127 ASN 4.06 3.45 1 128 LEU 4.84 3.29 1 129 LEU 3.89 3.11 1 130 ASP 4.60 3.74 1 131 VAL 5.25 4.25 1 132 ILE 5.70 3.93 1 133 ASP 4.54 3.77 1 134 GLN 4.11 3.21 1 135 ALA 2.88 2.75 1 136 ARG 3.85 3.33 1 137 LEU 2.77 2.25 1 138 LYS 2.61 1.93 1 139 MET 1.84 2.15 1 140 ILE 1.89 1.74 1 141 SER 1.31 1.24 1 142 GLN 0.60 0.59 1 143 SER 0.16 0.30 1 144 ARG -0.20 0.09 1 146 HIS 1.01 2.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5677_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.62 _LACS_plot.Line_1_terminator_val_y_1 1.23 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.87 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -1.75 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 LEU -1.62 -0.78 0 12 ILE 0.52 -0.13 1 13 ARG -0.03 -0.12 1 14 SER 0.66 -0.07 1 15 ASN 1.08 -0.33 1 16 ASP 0.03 0.42 1 17 LYS 2.96 -0.61 1 18 VAL 6.15 -1.67 1 19 TYR 4.62 -0.53 1 20 GLU 3.41 -0.27 1 21 ASN 2.48 0.22 1 22 VAL 6.83 -1.31 1 23 THR 6.71 -1.33 1 25 LEU 2.67 0.12 1 26 VAL 7.05 -1.47 1 27 LYS 4.91 -0.82 1 28 ALA 4.31 -1.41 1 29 VAL 6.37 -1.26 1 30 ILE 5.77 -0.85 1 31 GLU 3.92 -0.59 1 32 MET 3.94 -0.13 1 33 SER 5.19 -0.82 1 34 SER 2.77 -0.23 1 35 LYS 0.27 0.82 1 36 ILE 6.10 -0.46 1 42 GLU 4.31 -1.32 1 43 GLU -0.73 0.93 1 44 TYR 2.22 -1.03 1 47 MET 3.82 0.32 1 48 VAL 5.90 -1.39 1 49 LYS 4.92 -1.13 1 50 GLU 3.60 -0.51 1 51 VAL 5.99 -1.33 1 53 LEU 3.77 -0.63 1 54 ALA 4.04 -1.44 1 55 LEU 3.92 -0.98 1 56 ARG 5.51 -1.17 1 57 THR 5.99 -1.10 1 58 LEU 4.58 -1.18 1 59 LEU 5.72 -2.18 1 60 ALA 3.82 -1.10 1 61 THR 5.80 -1.12 1 62 VAL 7.05 -1.67 1 63 ASP 4.57 -0.83 1 64 GLU 1.66 0.03 1 65 SER 1.26 0.38 1 66 LEU 7.62 -1.38 1 68 VAL 0.36 -0.92 1 72 SER 3.77 -1.39 1 73 THR 0.53 0.84 1 74 HIS 3.66 0.57 1 75 ARG 5.26 -1.52 1 76 GLU 3.41 -0.27 1 77 ILE 5.61 -0.98 1 78 GLU 3.47 -0.43 1 79 MET 3.81 -0.62 1 80 ALA 3.00 -0.35 1 81 GLN 3.95 0.56 1 82 LYS 4.36 -0.67 1 83 LEU 3.52 -0.68 1 84 LEU 3.82 -0.68 1 85 ASN 3.82 -0.08 1 86 SER 5.03 -1.26 1 87 ASP 4.24 -2.40 1 88 LEU 4.45 -1.46 1 89 ALA 4.40 -1.48 1 90 GLU 3.02 -0.53 1 91 LEU 4.40 -0.51 1 92 ILE 5.42 -0.86 1 93 ASN 3.80 -0.29 1 94 LYS 3.61 -2.11 1 95 MET 3.85 0.45 1 96 LYS 4.55 -0.97 1 97 LEU 4.11 -1.27 1 98 ALA 5.17 -1.54 1 99 GLN 2.61 0.35 1 100 GLN 2.73 -0.42 1 101 TYR 2.05 -1.35 1 102 VAL 2.58 -0.66 1 103 MET 2.82 -1.80 1 105 SER 3.52 -0.98 1 106 LEU 1.12 -0.19 1 107 GLN 5.82 -0.88 1 108 GLN 4.38 -1.27 1 109 GLU 3.35 -1.14 1 110 TYR 5.61 -1.46 1 111 LYS 4.90 -0.36 1 112 LYS 5.40 -1.24 1 113 GLN 4.87 -1.14 1 114 MET 4.74 -0.01 1 115 LEU 4.87 -1.48 1 116 THR 6.87 -1.69 1 117 ALA 3.81 -1.38 1 118 ALA 3.85 -1.05 1 119 HIS 4.62 -0.50 1 120 ALA 4.19 -1.38 1 121 LEU 3.00 0.39 1 122 ALA 4.00 -0.78 1 123 VAL 5.25 -0.84 1 124 ASP 5.64 -2.81 1 125 ALA 4.47 -1.31 1 126 LYS 4.65 -1.36 1 127 ASN 4.06 -0.61 1 128 LEU 4.84 -1.55 1 129 LEU 3.89 -0.78 1 130 ASP 4.60 -0.86 1 131 VAL 5.25 -1.00 1 132 ILE 5.70 -1.77 1 133 ASP 4.54 -0.77 1 134 GLN 4.11 -0.90 1 135 ALA 2.88 -0.13 1 136 ARG 3.85 -0.52 1 137 LEU 2.77 -0.52 1 138 LYS 2.61 -0.68 1 139 MET 1.84 0.31 1 140 ILE 1.89 -0.15 1 141 SER 1.31 -0.07 1 142 GLN 0.60 -0.01 1 143 SER 0.16 0.14 1 144 ARG -0.20 0.29 1 146 HIS 1.01 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5677_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.73 _LACS_plot.Line_1_terminator_val_y_1 0.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.03 _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 7.04 _LACS_plot.Line_2_terminator_val_y_2 -0.41 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 ASP 4.60 0.16 0 43 GLU -0.73 0.22 0 102 VAL 2.58 0.35 0 124 ASP 5.64 0.08 0 12 ILE 0.52 0.10 1 13 ARG -0.03 0.15 1 14 SER 0.66 0.01 1 15 ASN 1.08 0.03 1 16 ASP 0.03 0.18 1 17 LYS 2.96 -0.05 1 18 VAL 6.15 -0.38 1 19 TYR 4.62 -0.43 1 20 GLU 3.41 -0.32 1 21 ASN 2.48 0.01 1 22 VAL 6.83 -0.41 1 23 THR 6.71 -0.51 1 25 LEU 2.67 -0.02 1 26 VAL 7.05 -0.56 1 27 LYS 4.91 -0.28 1 28 ALA 4.31 0.07 1 29 VAL 6.37 -0.43 1 30 ILE 5.77 -0.45 1 32 MET 3.94 -0.20 1 33 SER 5.19 -0.29 1 34 SER 2.77 0.06 1 35 LYS 0.27 0.12 1 42 GLU 4.31 -0.21 1 44 TYR 2.22 0.19 1 47 MET 3.82 -0.08 1 48 VAL 5.90 -0.40 1 49 LYS 4.92 -0.15 1 50 GLU 3.60 -0.12 1 51 VAL 5.99 -0.39 1 53 LEU 3.77 -0.09 1 54 ALA 4.04 -0.04 1 55 LEU 3.92 -0.11 1 56 ARG 5.51 -0.26 1 57 THR 5.99 -0.17 1 58 LEU 4.58 -0.06 1 59 LEU 5.72 -0.38 1 60 ALA 3.82 0.06 1 61 THR 5.80 -0.22 1 62 VAL 7.05 -0.62 1 63 ASP 4.57 -0.13 1 64 GLU 1.66 -0.10 1 65 SER 1.26 0.12 1 68 VAL 0.36 0.34 1 72 SER 3.77 -0.12 1 73 THR 0.53 0.36 1 74 HIS 3.66 -0.42 1 75 ARG 5.26 -0.02 1 76 GLU 3.41 -0.14 1 77 ILE 5.61 -0.48 1 78 GLU 3.47 0.04 1 79 MET 3.81 -0.14 1 80 ALA 3.00 0.00 1 81 GLN 3.95 -0.21 1 82 LYS 4.36 -0.12 1 83 LEU 3.52 -0.10 1 84 LEU 3.82 -0.06 1 85 ASN 3.82 -0.14 1 86 SER 5.03 -0.04 1 87 ASP 4.24 -0.07 1 88 LEU 4.45 -0.16 1 89 ALA 4.40 -0.16 1 90 GLU 3.02 0.08 1 91 LEU 4.40 -0.29 1 92 ILE 5.42 -0.44 1 93 ASN 3.80 -0.17 1 96 LYS 4.55 -0.09 1 97 LEU 4.11 -0.20 1 98 ALA 5.17 -0.17 1 99 GLN 2.61 -0.14 1 100 GLN 2.73 -0.23 1 101 TYR 2.05 0.21 1 103 MET 2.82 0.16 1 106 LEU 1.12 0.11 1 107 GLN 5.82 -0.24 1 108 GLN 4.38 -0.11 1 109 GLU 3.35 -0.14 1 110 TYR 5.61 -0.07 1 111 LYS 4.90 -0.04 1 112 LYS 5.40 -0.22 1 113 GLN 4.87 -0.05 1 114 MET 4.74 -0.48 1 115 LEU 4.87 -0.27 1 116 THR 6.87 -0.19 1 117 ALA 3.81 0.16 1 118 ALA 3.85 -0.18 1 119 HIS 4.62 -0.29 1 120 ALA 4.19 -0.24 1 121 LEU 3.00 0.05 1 122 ALA 4.00 -0.31 1 123 VAL 5.25 -0.51 1 125 ALA 4.47 -0.13 1 126 LYS 4.65 -0.26 1 127 ASN 4.06 -0.09 1 128 LEU 4.84 -0.20 1 129 LEU 3.89 -0.30 1 131 VAL 5.25 -0.24 1 132 ILE 5.70 -0.34 1 133 ASP 4.54 -0.05 1 134 GLN 4.11 -0.17 1 135 ALA 2.88 -0.06 1 136 ARG 3.85 -0.32 1 137 LEU 2.77 -0.09 1 138 LYS 2.61 -0.06 1 139 MET 1.84 -0.07 1 140 ILE 1.89 0.05 1 141 SER 1.31 0.07 1 142 GLN 0.60 0.18 1 143 SER 0.16 0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5677_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.73 _LACS_plot.Line_1_terminator_val_y_1 -0.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.30 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 2.95 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 ASP 0.03 -2.13 0 12 ILE 0.52 0.12 1 13 ARG -0.03 0.13 1 14 SER 0.66 0.08 1 15 ASN 1.08 -0.27 1 17 LYS 2.96 2.06 1 19 TYR 4.62 2.81 1 20 GLU 3.41 2.68 1 22 VAL 6.83 0.95 1 23 THR 6.71 2.48 1 25 LEU 2.67 0.89 1 26 VAL 7.05 1.61 1 27 LYS 4.91 2.14 1 28 ALA 4.31 2.79 1 29 VAL 6.37 2.48 1 30 ILE 5.77 2.88 1 32 MET 3.94 2.40 1 33 SER 5.19 1.61 1 34 SER 2.77 0.94 1 35 LYS 0.27 1.30 1 43 GLU -0.73 1.08 1 44 TYR 2.22 0.61 1 47 MET 3.82 2.70 1 48 VAL 5.90 2.32 1 49 LYS 4.92 3.11 1 50 GLU 3.60 3.30 1 51 VAL 5.99 1.30 1 53 LEU 3.77 2.13 1 54 ALA 4.04 3.22 1 55 LEU 3.92 0.48 1 56 ARG 5.51 3.51 1 58 LEU 4.58 0.29 1 59 LEU 5.72 1.02 1 60 ALA 3.82 2.75 1 61 THR 5.80 2.86 1 62 VAL 7.05 1.38 1 63 ASP 4.57 2.90 1 64 GLU 1.66 1.24 1 65 SER 1.26 -0.37 1 68 VAL 0.36 -0.29 1 72 SER 3.77 1.45 1 74 HIS 3.66 2.96 1 75 ARG 5.26 2.46 1 76 GLU 3.41 3.32 1 77 ILE 5.61 1.04 1 78 GLU 3.47 3.78 1 79 MET 3.81 2.27 1 80 ALA 3.00 2.83 1 82 LYS 4.36 3.32 1 83 LEU 3.52 1.30 1 85 ASN 3.82 3.95 1 86 SER 5.03 2.45 1 87 ASP 4.24 2.57 1 88 LEU 4.45 -0.11 1 89 ALA 4.40 2.71 1 90 GLU 3.02 1.50 1 91 LEU 4.40 0.38 1 92 ILE 5.42 1.66 1 93 ASN 3.80 3.55 1 94 LYS 3.61 1.88 1 95 MET 3.85 1.94 1 96 LYS 4.55 3.87 1 97 LEU 4.11 0.83 1 98 ALA 5.17 2.01 1 99 GLN 2.61 2.51 1 100 GLN 2.73 1.36 1 101 TYR 2.05 0.39 1 102 VAL 2.58 -1.16 1 105 SER 3.52 1.37 1 107 GLN 5.82 2.33 1 108 GLN 4.38 2.49 1 109 GLU 3.35 2.41 1 110 TYR 5.61 3.01 1 111 LYS 4.90 1.95 1 112 LYS 5.40 3.22 1 113 GLN 4.87 3.97 1 114 MET 4.74 1.29 1 115 LEU 4.87 2.72 1 116 THR 6.87 2.07 1 117 ALA 3.81 2.13 1 118 ALA 3.85 0.75 1 119 HIS 4.62 2.46 1 120 ALA 4.19 0.89 1 121 LEU 3.00 0.69 1 123 VAL 5.25 2.73 1 124 ASP 5.64 3.52 1 125 ALA 4.47 0.16 1 126 LYS 4.65 2.09 1 127 ASN 4.06 2.16 1 128 LEU 4.84 -0.11 1 129 LEU 3.89 0.03 1 130 ASP 4.60 2.88 1 131 VAL 5.25 3.04 1 132 ILE 5.70 1.36 1 133 ASP 4.54 3.50 1 134 GLN 4.11 2.84 1 135 ALA 2.88 1.90 1 138 LYS 2.61 1.50 1 139 MET 1.84 1.33 1 140 ILE 1.89 1.00 1 141 SER 1.31 0.61 1 142 GLN 0.60 0.19 1 143 SER 0.16 -0.48 1 stop_ save_