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 bmr11311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.74 _LACS_plot.Line_2_terminator_val_x_2 6.72 _LACS_plot.Line_2_terminator_val_y_2 5.19 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ALA -6.27 -1.50 0 128 ASN -0.00 -1.98 0 114 VAL -5.89 -4.82 0 132 HIS -7.10 -1.83 0 10 THR -3.09 0.07 1 11 VAL 6.32 4.98 1 12 MET 2.95 0.57 1 13 ASP 4.77 3.99 1 14 VAL 5.21 3.88 1 15 LEU 2.73 2.25 1 16 LYS 3.33 2.88 1 18 ASP -4.48 -1.66 1 19 ASN 3.40 2.59 1 20 ARG 2.15 1.94 1 21 PHE -0.70 -1.73 1 22 SER 6.36 4.40 1 23 MET 5.29 3.95 1 24 LEU 4.05 2.96 1 25 VAL 6.73 5.58 1 26 ALA 3.81 2.44 1 27 ALA 3.54 2.34 1 28 ILE 5.23 4.78 1 29 GLN 4.77 2.79 1 30 SER 4.16 3.36 1 31 ALA -1.24 -0.37 1 33 LEU -3.04 -0.34 1 34 THR 6.07 4.85 1 35 GLU 4.59 3.22 1 36 THR 6.07 5.42 1 37 LEU 1.35 0.42 1 38 ASN -3.10 -1.06 1 39 ARG -2.47 -0.52 1 40 GLU 1.24 1.03 1 42 VAL -3.56 -2.89 1 43 TYR -4.79 -1.16 1 44 THR -0.83 0.32 1 45 VAL -2.08 -1.10 1 46 PHE 1.06 -0.03 1 49 THR -2.57 -1.06 1 50 ASN 4.96 3.22 1 51 GLU 3.87 3.26 1 52 ALA 2.12 2.59 1 53 PHE 4.24 4.41 1 54 ARG 3.70 2.98 1 55 ALA 0.31 0.13 1 56 LEU -0.39 0.22 1 59 ARG 4.60 3.37 1 60 GLU 1.69 1.70 1 61 ARG 4.77 4.22 1 62 SER 4.37 3.26 1 63 ARG 3.40 3.01 1 64 LEU 2.47 2.56 1 65 LEU 2.37 1.06 1 67 ASP -2.69 -1.66 1 68 ALA 3.49 3.14 1 69 LYS 4.28 3.17 1 70 GLU 2.28 1.65 1 71 LEU 3.82 2.81 1 72 ALA 4.46 3.46 1 73 ASN 3.82 4.06 1 74 ILE 4.01 2.65 1 75 LEU 4.02 3.42 1 76 LYS 5.24 4.55 1 77 TYR 1.08 0.86 1 78 HIS 4.83 3.76 1 79 ILE -3.36 -1.59 1 81 ASP -0.19 -0.49 1 82 GLU -5.44 -2.10 1 83 ILE 1.61 1.24 1 84 LEU -2.85 -1.22 1 85 VAL -3.30 -2.80 1 86 SER 6.16 4.36 1 89 ILE 1.51 1.84 1 91 ALA 1.09 1.62 1 92 LEU -0.17 1.05 1 93 VAL -3.75 -0.90 1 94 ARG -0.48 -1.20 1 95 LEU -5.40 -1.94 1 96 LYS 2.79 2.18 1 97 SER -3.82 -0.14 1 98 LEU 3.25 2.21 1 99 GLN 3.44 1.10 1 101 ASP 0.04 0.25 1 102 LYS -1.02 -0.23 1 103 LEU -3.71 -1.09 1 104 GLU -1.27 -0.91 1 105 VAL -0.94 -1.10 1 106 SER -5.40 -1.80 1 107 LEU -3.48 -0.83 1 108 LYS -2.38 -0.50 1 109 ASN 3.33 1.63 1 110 ASN 2.72 2.02 1 111 VAL -1.47 -0.07 1 112 VAL 0.11 -0.64 1 113 SER -3.91 -1.34 1 115 ASN 3.83 0.80 1 116 LYS 4.87 2.28 1 117 GLU -1.41 -1.31 1 119 VAL 0.63 -0.08 1 120 ALA 0.97 1.52 1 121 GLU -3.04 -0.74 1 123 ASP 3.99 0.62 1 124 ILE 3.93 1.70 1 125 MET 1.24 -0.49 1 126 ALA -6.54 -2.51 1 127 THR 4.07 2.61 1 130 VAL -5.68 -3.68 1 131 VAL -2.91 -1.74 1 133 VAL 2.45 2.51 1 134 ILE -4.62 -0.96 1 135 THR 0.56 -0.52 1 136 ASN -4.69 -0.56 1 137 VAL 0.46 0.14 1 138 LEU 0.73 -0.12 1 139 GLN -3.96 -1.51 1 141 SER 0.17 0.36 1 144 SER 0.18 0.11 1 145 SER 0.01 0.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 4.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.72 _LACS_plot.Line_2_terminator_val_y_2 -1.53 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ALA -6.27 4.77 0 128 ASN -0.00 -1.98 0 114 VAL -5.89 1.07 0 132 HIS -7.10 5.27 0 10 THR -3.09 3.16 1 11 VAL 6.32 -1.34 1 12 MET 2.95 -2.38 1 13 ASP 4.77 -0.78 1 14 VAL 5.21 -1.33 1 15 LEU 2.73 -0.48 1 16 LYS 3.33 -0.45 1 18 ASP -4.48 2.82 1 19 ASN 3.40 -0.81 1 20 ARG 2.15 -0.21 1 21 PHE -0.70 -1.03 1 22 SER 6.36 -1.96 1 23 MET 5.29 -1.34 1 24 LEU 4.05 -1.09 1 25 VAL 6.73 -1.15 1 26 ALA 3.81 -1.37 1 27 ALA 3.54 -1.20 1 28 ILE 5.23 -0.45 1 29 GLN 4.77 -1.98 1 30 SER 4.16 -0.80 1 31 ALA -1.24 0.87 1 33 LEU -3.04 2.70 1 34 THR 6.07 -1.22 1 35 GLU 4.59 -1.37 1 36 THR 6.07 -0.65 1 37 LEU 1.35 -0.93 1 38 ASN -3.10 2.04 1 39 ARG -2.47 1.95 1 40 GLU 1.24 -0.21 1 42 VAL -3.56 0.67 1 43 TYR -4.79 3.63 1 44 THR -0.83 1.15 1 45 VAL -2.08 0.98 1 46 PHE 1.06 -1.09 1 49 THR -2.57 1.51 1 50 ASN 4.96 -1.74 1 51 GLU 3.87 -0.61 1 52 ALA 2.12 0.47 1 53 PHE 4.24 0.17 1 54 ARG 3.70 -0.72 1 55 ALA 0.31 -0.18 1 56 LEU -0.39 0.61 1 59 ARG 4.60 -1.23 1 60 GLU 1.69 0.01 1 61 ARG 4.77 -0.55 1 62 SER 4.37 -1.11 1 63 ARG 3.40 -0.39 1 64 LEU 2.47 0.09 1 65 LEU 2.37 -1.31 1 67 ASP -2.69 1.03 1 68 ALA 3.49 -0.35 1 69 LYS 4.28 -1.11 1 70 GLU 2.28 -0.63 1 71 LEU 3.82 -1.01 1 72 ALA 4.46 -1.00 1 73 ASN 3.82 0.24 1 74 ILE 4.01 -1.36 1 75 LEU 4.02 -0.60 1 76 LYS 5.24 -0.69 1 77 TYR 1.08 -0.22 1 78 HIS 4.83 -1.07 1 79 ILE -3.36 1.77 1 81 ASP -0.19 -0.30 1 82 GLU -5.44 3.34 1 83 ILE 1.61 -0.37 1 84 LEU -2.85 1.63 1 85 VAL -3.30 0.50 1 86 SER 6.16 -1.80 1 89 ILE 1.51 0.33 1 91 ALA 1.09 0.53 1 92 LEU -0.17 1.22 1 93 VAL -3.75 2.85 1 94 ARG -0.48 -0.72 1 95 LEU -5.40 3.46 1 96 LYS 2.79 -0.61 1 97 SER -3.82 3.68 1 98 LEU 3.25 -1.04 1 99 GLN 3.44 -2.34 1 101 ASP 0.04 0.21 1 102 LYS -1.02 0.79 1 103 LEU -3.71 2.62 1 104 GLU -1.27 0.36 1 105 VAL -0.94 -0.16 1 106 SER -5.40 3.60 1 107 LEU -3.48 2.65 1 108 LYS -2.38 1.88 1 109 ASN 3.33 -1.70 1 110 ASN 2.72 -0.70 1 111 VAL -1.47 1.40 1 112 VAL 0.11 -0.75 1 113 SER -3.91 2.57 1 115 ASN 3.83 -3.03 1 116 LYS 4.87 -2.59 1 117 GLU -1.41 0.10 1 119 VAL 0.63 -0.71 1 120 ALA 0.97 0.55 1 121 GLU -3.04 2.30 1 123 ASP 3.99 -3.37 1 124 ILE 3.93 -2.23 1 125 MET 1.24 -1.73 1 126 ALA -6.54 4.03 1 127 THR 4.07 -1.46 1 130 VAL -5.68 2.00 1 131 VAL -2.91 1.17 1 133 VAL 2.45 0.06 1 134 ILE -4.62 3.66 1 135 THR 0.56 -1.08 1 136 ASN -4.69 4.13 1 137 VAL 0.46 -0.32 1 138 LEU 0.73 -0.85 1 139 GLN -3.96 2.45 1 141 SER 0.17 0.19 1 144 SER 0.18 -0.07 1 145 SER 0.01 0.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 0.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.72 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 47 ALA -6.27 -0.06 0 21 PHE -0.70 1.14 0 10 THR -3.09 0.07 1 11 VAL 6.32 -0.89 1 12 MET 2.95 -0.14 1 13 ASP 4.77 -0.40 1 14 VAL 5.21 -0.56 1 15 LEU 2.73 -0.34 1 16 LYS 3.33 -0.39 1 18 ASP -4.48 0.35 1 19 ASN 3.40 -0.30 1 20 ARG 2.15 -0.19 1 22 SER 6.36 -0.45 1 23 MET 5.29 -0.52 1 24 LEU 4.05 -0.44 1 25 VAL 6.73 -0.84 1 26 ALA 3.81 -0.18 1 27 ALA 3.54 -0.21 1 28 ILE 5.23 -0.89 1 29 GLN 4.77 -0.16 1 30 SER 4.16 -0.29 1 31 ALA -1.24 0.03 1 33 LEU -3.04 0.09 1 34 THR 6.07 -0.82 1 35 GLU 4.59 -0.40 1 36 THR 6.07 -0.62 1 37 LEU 1.35 -0.43 1 38 ASN -3.10 0.22 1 39 ARG -2.47 0.17 1 40 GLU 1.24 -0.13 1 42 VAL -3.56 -0.04 1 43 TYR -4.79 0.63 1 44 THR -0.83 0.41 1 45 VAL -2.08 0.47 1 46 PHE 1.06 0.70 1 49 THR -2.57 0.10 1 50 ASN 4.96 -0.06 1 51 GLU 3.87 -0.45 1 52 ALA 2.12 -0.29 1 53 PHE 4.24 -0.60 1 54 ARG 3.70 -0.37 1 55 ALA 0.31 -0.06 1 56 LEU -0.39 -0.17 1 59 ARG 4.60 -0.20 1 60 GLU 1.69 0.00 1 61 ARG 4.77 -0.51 1 62 SER 4.37 -0.35 1 63 ARG 3.40 -0.29 1 64 LEU 2.47 -0.25 1 65 LEU 2.37 -0.14 1 67 ASP -2.69 0.24 1 68 ALA 3.49 -0.31 1 69 LYS 4.28 -0.18 1 70 GLU 2.28 -0.09 1 71 LEU 3.82 -0.24 1 72 ALA 4.46 -0.42 1 73 ASN 3.82 -0.31 1 74 ILE 4.01 -0.23 1 75 LEU 4.02 -0.26 1 76 LYS 5.24 -0.39 1 77 TYR 1.08 0.07 1 78 HIS 4.83 -0.60 1 79 ILE -3.36 1.00 1 81 ASP -0.19 0.09 1 82 GLU -5.44 0.13 1 83 ILE 1.61 -0.62 1 84 LEU -2.85 0.42 1 85 VAL -3.30 0.63 1 86 SER 6.16 -0.66 1 89 ILE 1.51 -0.38 1 91 ALA 1.09 -0.03 1 92 LEU -0.17 0.35 1 93 VAL -3.75 0.16 1 94 ARG -0.48 0.90 1 95 LEU -5.40 0.21 1 96 LYS 2.79 -0.30 1 97 SER -3.82 1.15 1 98 LEU 3.25 -0.06 1 99 GLN 3.44 -0.21 1 101 ASP 0.04 0.23 1 102 LYS -1.02 0.74 1 103 LEU -3.71 0.01 1 104 GLU -1.27 0.29 1 105 VAL -0.94 0.90 1 106 SER -5.40 0.45 1 107 LEU -3.48 0.70 1 108 LYS -2.38 0.12 1 109 ASN 3.33 -0.46 1 110 ASN 2.72 -0.59 1 111 VAL -1.47 0.16 1 112 VAL 0.11 0.49 1 113 SER -3.91 0.89 1 114 VAL -5.89 0.67 1 115 ASN 3.83 -0.48 1 116 LYS 4.87 -0.70 1 117 GLU -1.41 0.16 1 119 VAL 0.63 0.16 1 120 ALA 0.97 -0.01 1 121 GLU -3.04 0.22 1 123 ASP 3.99 -0.77 1 124 ILE 3.93 -0.15 1 125 MET 1.24 0.12 1 126 ALA -6.54 0.55 1 127 THR 4.07 -0.33 1 128 ASN -0.00 0.28 1 130 VAL -5.68 0.75 1 131 VAL -2.91 0.51 1 132 HIS -7.10 0.75 1 133 VAL 2.45 0.35 1 134 ILE -4.62 0.96 1 135 THR 0.56 0.31 1 136 ASN -4.69 0.07 1 137 VAL 0.46 -0.14 1 138 LEU 0.73 -0.14 1 139 GLN -3.96 0.16 1 141 SER 0.17 -0.19 1 144 SER 0.18 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 6.72 _LACS_plot.Line_2_terminator_val_y_2 2.19 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 SER -3.82 3.36 0 132 HIS -7.10 1.55 0 10 THR -3.09 1.68 1 11 VAL 6.32 0.96 1 12 MET 2.95 1.80 1 13 ASP 4.77 3.44 1 14 VAL 5.21 2.79 1 15 LEU 2.73 1.47 1 16 LYS 3.33 1.39 1 18 ASP -4.48 0.06 1 19 ASN 3.40 1.51 1 20 ARG 2.15 -0.18 1 21 PHE -0.70 0.74 1 22 SER 6.36 3.94 1 23 MET 5.29 1.82 1 24 LEU 4.05 0.52 1 25 VAL 6.73 1.78 1 26 ALA 3.81 2.42 1 27 ALA 3.54 0.86 1 28 ILE 5.23 1.53 1 29 GLN 4.77 4.18 1 30 SER 4.16 1.00 1 31 ALA -1.24 -0.95 1 33 LEU -3.04 -1.90 1 34 THR 6.07 0.74 1 35 GLU 4.59 2.77 1 36 THR 6.07 1.15 1 37 LEU 1.35 -1.48 1 38 ASN -3.10 -0.46 1 39 ARG -2.47 -1.03 1 40 GLU 1.24 -0.32 1 42 VAL -3.56 -3.35 1 43 TYR -4.79 0.39 1 44 THR -0.83 -1.30 1 45 VAL -2.08 -2.28 1 46 PHE 1.06 -2.39 1 47 ALA -6.27 -1.58 1 49 THR -2.57 1.67 1 50 ASN 4.96 3.11 1 51 GLU 3.87 1.58 1 52 ALA 2.12 2.55 1 53 PHE 4.24 3.32 1 54 ARG 3.70 0.03 1 55 ALA 0.31 0.89 1 56 LEU -0.39 -1.31 1 59 ARG 4.60 2.66 1 60 GLU 1.69 1.75 1 61 ARG 4.77 1.58 1 62 SER 4.37 2.49 1 63 ARG 3.40 1.80 1 64 LEU 2.47 -0.46 1 65 LEU 2.37 1.40 1 67 ASP -2.69 -1.56 1 68 ALA 3.49 2.28 1 69 LYS 4.28 2.94 1 70 GLU 2.28 2.73 1 71 LEU 3.82 1.01 1 72 ALA 4.46 0.98 1 73 ASN 3.82 1.21 1 74 ILE 4.01 3.37 1 75 LEU 4.02 2.14 1 76 LYS 5.24 1.05 1 77 TYR 1.08 -4.03 1 78 HIS 4.83 -0.42 1 79 ILE -3.36 -0.74 1 81 ASP -0.19 -1.57 1 82 GLU -5.44 -1.35 1 83 ILE 1.61 -1.54 1 84 LEU -2.85 -3.51 1 85 VAL -3.30 2.07 1 86 SER 6.16 2.52 1 89 ILE 1.51 -0.79 1 91 ALA 1.09 -0.44 1 92 LEU -0.17 -2.10 1 93 VAL -3.75 -2.19 1 94 ARG -0.48 -1.34 1 95 LEU -5.40 -2.61 1 96 LYS 2.79 -2.13 1 98 LEU 3.25 0.84 1 99 GLN 3.44 0.08 1 101 ASP 0.04 1.19 1 102 LYS -1.02 0.19 1 103 LEU -3.71 -1.64 1 104 GLU -1.27 -1.59 1 105 VAL -0.94 -2.62 1 106 SER -5.40 -2.73 1 107 LEU -3.48 -1.89 1 108 LYS -2.38 -0.44 1 109 ASN 3.33 -1.09 1 110 ASN 2.72 -1.46 1 111 VAL -1.47 0.03 1 112 VAL 0.11 -1.64 1 113 SER -3.91 -2.70 1 114 VAL -5.89 -2.44 1 115 ASN 3.83 0.02 1 116 LYS 4.87 -1.00 1 117 GLU -1.41 -0.68 1 119 VAL 0.63 0.18 1 120 ALA 0.97 0.54 1 121 GLU -3.04 -3.01 1 123 ASP 3.99 -1.35 1 124 ILE 3.93 -0.62 1 125 MET 1.24 -1.48 1 126 ALA -6.54 0.10 1 127 THR 4.07 1.61 1 128 ASN -0.00 -2.00 1 130 VAL -5.68 -5.48 1 131 VAL -2.91 -3.40 1 133 VAL 2.45 0.01 1 134 ILE -4.62 -1.34 1 135 THR 0.56 -1.66 1 136 ASN -4.69 -3.11 1 137 VAL 0.46 0.35 1 138 LEU 0.73 -1.98 1 139 GLN -3.96 -0.74 1 141 SER 0.17 0.22 1 144 SER 0.18 0.18 1 145 SER 0.01 -0.62 1 stop_ save_