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 bmr26603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 -3.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.25 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 4.76 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 GLU -8.24 -2.74 0 39 ILE -3.75 -4.17 0 122 ALA -7.27 -1.57 0 11 SER -0.03 -0.07 1 12 VAL -0.57 -0.47 1 13 ARG 0.26 0.28 1 15 PHE 0.05 0.11 1 16 LYS -0.11 -0.09 1 17 GLN 0.98 1.07 1 19 LYS -4.09 -1.50 1 20 SER -1.09 -0.54 1 21 LEU 4.48 3.64 1 22 ALA 3.22 2.47 1 23 ILE 4.37 2.55 1 24 ARG 4.86 5.32 1 25 GLN 4.20 3.18 1 26 GLU 2.64 2.32 1 27 GLU 3.46 3.12 1 28 VAL 6.31 4.62 1 29 ALA 4.16 2.65 1 31 ILE 4.13 4.10 1 32 ARG 3.42 1.61 1 33 ALA 1.83 1.37 1 34 LYS 0.59 1.53 1 35 PHE -1.21 -1.25 1 37 ASN 0.05 -0.37 1 38 LYS -4.45 -1.97 1 41 VAL -4.98 -2.11 1 42 VAL -1.42 -1.13 1 43 VAL -1.89 -1.34 1 45 ARG 0.56 1.30 1 46 TYR -0.79 1.03 1 48 ARG -0.88 -1.09 1 49 GLU -1.38 -0.19 1 50 THR -1.07 -0.45 1 51 PHE 1.90 2.39 1 52 LEU -0.78 -0.13 1 55 LEU -3.29 -1.37 1 56 ASP 1.28 0.56 1 57 LYS -2.27 -0.59 1 58 THR -0.34 0.86 1 59 LYS -1.41 -0.84 1 60 PHE -3.47 -1.06 1 61 LEU -1.34 -1.76 1 62 VAL -2.63 -0.93 1 64 GLN 4.07 2.81 1 65 GLU 1.41 0.26 1 66 LEU 0.17 0.59 1 67 THR -3.94 -1.64 1 68 MET 3.05 2.08 1 69 THR 6.02 5.31 1 70 GLN 3.73 3.12 1 71 PHE 3.43 2.19 1 72 LEU 4.73 3.99 1 73 SER 5.25 4.40 1 74 ILE 4.95 4.18 1 75 ILE 5.37 3.26 1 76 ARG 4.48 3.75 1 77 SER 3.65 2.79 1 78 ARG 1.05 0.86 1 79 MET -1.42 0.36 1 80 VAL 3.22 0.77 1 81 LEU -3.17 -1.40 1 82 ARG 0.70 0.56 1 83 ALA 1.42 1.42 1 84 THR 0.31 -0.49 1 85 GLU -0.56 0.00 1 86 ALA -0.83 -0.15 1 87 PHE -2.36 0.19 1 88 TYR -3.35 -1.20 1 89 LEU -4.73 -1.98 1 90 LEU -2.58 -1.24 1 91 VAL -1.39 -0.90 1 92 ASN 3.09 1.64 1 93 ASN 2.44 1.88 1 94 LYS -2.56 -0.23 1 95 SER 0.10 0.11 1 96 LEU 0.14 -0.38 1 97 VAL -0.04 0.12 1 98 SER -1.03 -1.27 1 99 MET 1.88 0.09 1 100 SER -0.19 -0.42 1 101 ALA -0.63 0.02 1 102 THR -3.46 -1.71 1 103 MET 3.31 0.62 1 104 ALA 3.35 2.96 1 105 GLU 3.16 2.85 1 106 ILE 2.22 0.85 1 107 TYR 3.74 4.14 1 108 ARG 3.40 2.95 1 109 ASP 1.10 1.78 1 110 TYR -0.47 0.36 1 111 LYS 2.95 1.65 1 112 ASP -2.75 -0.40 1 113 GLU 2.59 2.31 1 114 ASP 1.28 0.48 1 116 PHE 1.63 1.76 1 117 VAL -2.83 -1.25 1 118 TYR -0.17 0.69 1 119 MET -5.64 -1.13 1 120 THR -6.12 -3.00 1 121 TYR -7.70 -3.74 1 123 SER -0.11 0.29 1 124 GLN -2.81 -0.95 1 125 GLU 0.65 0.87 1 126 THR -1.10 -0.91 1 127 PHE -0.75 -0.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 4.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _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 6.30 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 GLU -8.24 5.50 0 39 ILE -3.75 -0.42 0 122 ALA -7.27 5.70 0 11 SER -0.03 -0.04 1 12 VAL -0.57 0.10 1 13 ARG 0.26 0.02 1 15 PHE 0.05 0.06 1 16 LYS -0.11 0.02 1 17 GLN 0.98 0.09 1 19 LYS -4.09 2.59 1 20 SER -1.09 0.55 1 21 LEU 4.48 -0.84 1 22 ALA 3.22 -0.75 1 23 ILE 4.37 -1.82 1 24 ARG 4.86 0.46 1 25 GLN 4.20 -1.02 1 26 GLU 2.64 -0.32 1 27 GLU 3.46 -0.34 1 28 VAL 6.31 -1.69 1 29 ALA 4.16 -1.51 1 31 ILE 4.13 -0.03 1 32 ARG 3.42 -1.81 1 33 ALA 1.83 -0.46 1 34 LYS 0.59 0.94 1 35 PHE -1.21 -0.04 1 37 ASN 0.05 -0.42 1 38 LYS -4.45 2.48 1 41 VAL -4.98 2.87 1 42 VAL -1.42 0.29 1 43 VAL -1.89 0.55 1 45 ARG 0.56 0.74 1 46 TYR -0.79 1.82 1 48 ARG -0.88 -0.21 1 49 GLU -1.38 1.19 1 50 THR -1.07 0.62 1 51 PHE 1.90 0.49 1 52 LEU -0.78 0.65 1 55 LEU -3.29 1.92 1 56 ASP 1.28 -0.72 1 57 LYS -2.27 1.68 1 58 THR -0.34 1.20 1 59 LYS -1.41 0.57 1 60 PHE -3.47 2.41 1 61 LEU -1.34 -0.42 1 62 VAL -2.63 1.70 1 64 GLN 4.07 -1.26 1 65 GLU 1.41 -1.15 1 66 LEU 0.17 0.42 1 67 THR -3.94 2.30 1 68 MET 3.05 -0.97 1 69 THR 6.02 -0.71 1 70 GLN 3.73 -0.61 1 71 PHE 3.43 -1.24 1 72 LEU 4.73 -0.74 1 73 SER 5.25 -0.85 1 74 ILE 4.95 -0.77 1 75 ILE 5.37 -2.11 1 76 ARG 4.48 -0.73 1 77 SER 3.65 -0.86 1 78 ARG 1.05 -0.19 1 79 MET -1.42 1.78 1 80 VAL 3.22 -2.45 1 81 LEU -3.17 1.77 1 82 ARG 0.70 -0.14 1 83 ALA 1.42 0.00 1 84 THR 0.31 -0.80 1 85 GLU -0.56 0.56 1 86 ALA -0.83 0.68 1 87 PHE -2.36 2.55 1 88 TYR -3.35 2.15 1 89 LEU -4.73 2.75 1 90 LEU -2.58 1.34 1 91 VAL -1.39 0.49 1 92 ASN 3.09 -1.45 1 93 ASN 2.44 -0.56 1 94 LYS -2.56 2.33 1 95 SER 0.10 0.01 1 96 LEU 0.14 -0.52 1 97 VAL -0.04 0.16 1 98 SER -1.03 -0.24 1 99 MET 1.88 -1.79 1 100 SER -0.19 -0.23 1 101 ALA -0.63 0.65 1 102 THR -3.46 1.75 1 103 MET 3.31 -2.69 1 104 ALA 3.35 -0.39 1 105 GLU 3.16 -0.31 1 106 ILE 2.22 -1.37 1 107 TYR 3.74 0.40 1 108 ARG 3.40 -0.45 1 109 ASP 1.10 0.68 1 110 TYR -0.47 0.83 1 111 LYS 2.95 -1.30 1 112 ASP -2.75 2.35 1 113 GLU 2.59 -0.28 1 114 ASP 1.28 -0.80 1 116 PHE 1.63 0.13 1 117 VAL -2.83 1.58 1 118 TYR -0.17 0.86 1 119 MET -5.64 4.51 1 120 THR -6.12 3.12 1 121 TYR -7.70 3.96 1 123 SER -0.11 0.40 1 124 GLN -2.81 1.86 1 125 GLU 0.65 0.22 1 126 THR -1.10 0.19 1 127 PHE -0.75 0.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 0.81 _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 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 THR -6.12 1.93 0 11 SER -0.03 -0.02 1 12 VAL -0.57 0.09 1 13 ARG 0.26 -0.07 1 15 PHE 0.05 -0.04 1 16 LYS -0.11 -0.05 1 17 GLN 0.98 -0.13 1 19 LYS -4.09 0.23 1 20 SER -1.09 -0.09 1 21 LEU 4.48 -0.30 1 22 ALA 3.22 0.00 1 23 ILE 4.37 -0.25 1 24 ARG 4.86 -0.03 1 25 GLN 4.20 0.02 1 26 GLU 2.64 -0.19 1 27 GLU 3.46 -0.22 1 28 VAL 6.31 -0.80 1 29 ALA 4.16 -0.21 1 31 ILE 4.13 -0.27 1 32 ARG 3.42 -0.33 1 33 ALA 1.83 -0.18 1 34 LYS 0.59 -0.40 1 35 PHE -1.21 0.33 1 37 ASN 0.05 0.06 1 38 LYS -4.45 0.44 1 39 ILE -3.75 -0.31 1 41 VAL -4.98 0.88 1 42 VAL -1.42 0.55 1 43 VAL -1.89 0.84 1 44 GLU -8.24 0.49 1 45 ARG 0.56 -0.13 1 46 TYR -0.79 -0.41 1 48 ARG -0.88 -0.02 1 49 GLU -1.38 0.13 1 50 THR -1.07 0.27 1 51 PHE 1.90 0.06 1 52 LEU -0.78 -0.26 1 55 LEU -3.29 0.29 1 56 ASP 1.28 -0.19 1 57 LYS -2.27 0.16 1 58 THR -0.34 0.43 1 59 LYS -1.41 0.74 1 60 PHE -3.47 0.03 1 61 LEU -1.34 0.60 1 62 VAL -2.63 0.33 1 64 GLN 4.07 -0.50 1 65 GLU 1.41 0.00 1 66 LEU 0.17 -0.05 1 67 THR -3.94 0.72 1 68 MET 3.05 0.11 1 69 THR 6.02 -0.43 1 70 GLN 3.73 -0.20 1 71 PHE 3.43 -0.17 1 72 LEU 4.73 -0.73 1 73 SER 5.25 -0.44 1 74 ILE 4.95 -0.49 1 75 ILE 5.37 -0.91 1 76 ARG 4.48 -0.96 1 77 SER 3.65 -0.18 1 78 ARG 1.05 -0.04 1 79 MET -1.42 -0.15 1 80 VAL 3.22 -0.33 1 81 LEU -3.17 0.18 1 82 ARG 0.70 -0.06 1 83 ALA 1.42 -0.12 1 84 THR 0.31 -0.11 1 85 GLU -0.56 -0.04 1 86 ALA -0.83 -0.13 1 87 PHE -2.36 -0.01 1 88 TYR -3.35 0.10 1 89 LEU -4.73 0.92 1 90 LEU -2.58 0.46 1 91 VAL -1.39 0.40 1 92 ASN 3.09 -0.31 1 93 ASN 2.44 -0.54 1 94 LYS -2.56 0.33 1 95 SER 0.10 0.20 1 96 LEU 0.14 0.16 1 97 VAL -0.04 -0.01 1 98 SER -1.03 0.12 1 99 MET 1.88 0.16 1 100 SER -0.19 0.12 1 101 ALA -0.63 0.07 1 102 THR -3.46 0.60 1 103 MET 3.31 -0.13 1 104 ALA 3.35 -0.29 1 105 GLU 3.16 -0.53 1 106 ILE 2.22 -0.05 1 107 TYR 3.74 -0.60 1 108 ARG 3.40 -0.53 1 109 ASP 1.10 -0.12 1 110 TYR -0.47 0.37 1 111 LYS 2.95 -0.21 1 112 ASP -2.75 0.14 1 113 GLU 2.59 -0.19 1 114 ASP 1.28 -0.31 1 116 PHE 1.63 0.27 1 117 VAL -2.83 0.70 1 118 TYR -0.17 0.53 1 119 MET -5.64 1.16 1 121 TYR -7.70 1.60 1 122 ALA -7.27 0.43 1 123 SER -0.11 0.28 1 124 GLN -2.81 0.08 1 125 GLU 0.65 -0.86 1 126 THR -1.10 -0.14 1 127 PHE -0.75 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.85 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 2.54 _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 67 THR -3.94 2.36 0 11 SER -0.03 -0.16 1 12 VAL -0.57 -0.29 1 15 PHE 0.05 -0.17 1 16 LYS -0.11 -0.86 1 19 LYS -4.09 -0.82 1 20 SER -1.09 -0.46 1 21 LEU 4.48 0.22 1 22 ALA 3.22 2.98 1 23 ILE 4.37 2.81 1 24 ARG 4.86 1.58 1 25 GLN 4.20 3.88 1 26 GLU 2.64 2.59 1 27 GLU 3.46 3.63 1 28 VAL 6.31 1.09 1 29 ALA 4.16 3.68 1 31 ILE 4.13 1.37 1 32 ARG 3.42 1.78 1 33 ALA 1.83 1.32 1 34 LYS 0.59 -0.25 1 37 ASN 0.05 -0.40 1 38 LYS -4.45 -2.27 1 41 VAL -4.98 -1.42 1 42 VAL -1.42 -0.45 1 43 VAL -1.89 -1.44 1 44 GLU -8.24 -2.43 1 45 ARG 0.56 -0.17 1 48 ARG -0.88 0.54 1 49 GLU -1.38 0.03 1 50 THR -1.07 0.12 1 51 PHE 1.90 1.29 1 55 LEU -3.29 -0.46 1 56 ASP 1.28 -0.80 1 57 LYS -2.27 -2.16 1 58 THR -0.34 -1.72 1 59 LYS -1.41 -0.86 1 60 PHE -3.47 -2.05 1 61 LEU -1.34 -1.03 1 62 VAL -2.63 1.67 1 64 GLN 4.07 1.59 1 65 GLU 1.41 0.58 1 66 LEU 0.17 -0.72 1 68 MET 3.05 2.75 1 69 THR 6.02 2.07 1 70 GLN 3.73 3.62 1 71 PHE 3.43 1.03 1 72 LEU 4.73 0.98 1 73 SER 5.25 2.40 1 74 ILE 4.95 2.61 1 75 ILE 5.37 1.42 1 76 ARG 4.48 2.53 1 77 SER 3.65 1.32 1 78 ARG 1.05 0.25 1 79 MET -1.42 -1.10 1 80 VAL 3.22 -1.07 1 81 LEU -3.17 -0.20 1 82 ARG 0.70 1.19 1 83 ALA 1.42 0.29 1 84 THR 0.31 0.17 1 85 GLU -0.56 -0.75 1 86 ALA -0.83 -2.02 1 87 PHE -2.36 -3.22 1 88 TYR -3.35 -1.89 1 89 LEU -4.73 -2.26 1 90 LEU -2.58 -0.49 1 91 VAL -1.39 0.31 1 92 ASN 3.09 -0.34 1 93 ASN 2.44 -1.20 1 94 LYS -2.56 -1.29 1 95 SER 0.10 -0.20 1 96 LEU 0.14 0.02 1 97 VAL -0.04 -0.29 1 98 SER -1.03 1.39 1 99 MET 1.88 0.14 1 100 SER -0.19 -0.49 1 101 ALA -0.63 -0.85 1 102 THR -3.46 2.04 1 103 MET 3.31 2.84 1 104 ALA 3.35 2.82 1 105 GLU 3.16 1.51 1 106 ILE 2.22 1.86 1 107 TYR 3.74 0.74 1 108 ARG 3.40 2.03 1 109 ASP 1.10 1.83 1 110 TYR -0.47 0.05 1 111 LYS 2.95 -1.45 1 112 ASP -2.75 1.12 1 113 GLU 2.59 0.98 1 114 ASP 1.28 -0.54 1 116 PHE 1.63 0.29 1 117 VAL -2.83 -3.53 1 118 TYR -0.17 0.36 1 119 MET -5.64 -0.17 1 120 THR -6.12 -0.83 1 121 TYR -7.70 -2.39 1 122 ALA -7.27 -2.15 1 123 SER -0.11 -0.97 1 124 GLN -2.81 -1.81 1 125 GLU 0.65 -0.50 1 126 THR -1.10 -1.54 1 127 PHE -0.75 -0.68 1 stop_ save_