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 bmr6738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 -3.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.35 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 5.61 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 ALA -8.26 -2.18 0 86 ASP 7.44 7.03 0 12 GLN -0.43 -0.11 1 13 GLN -0.15 0.06 1 15 ALA -0.20 0.09 1 16 ALA -0.05 0.13 1 17 GLN -0.30 -0.22 1 18 ARG -0.16 0.10 1 19 THR -3.17 -1.71 1 20 TYR -1.76 -0.15 1 21 ALA 1.61 2.09 1 22 LYS -5.67 -1.25 1 24 ILE -4.63 -1.41 1 25 LEU -3.06 -1.01 1 26 GLU -3.77 -2.15 1 27 VAL -4.12 -2.53 1 29 THR 5.93 3.28 1 31 LYS -1.05 -1.51 1 32 PHE 2.89 -0.08 1 33 ARG 3.81 2.38 1 34 ALA 0.64 0.75 1 35 TYR -0.82 -0.92 1 37 GLN 4.10 2.67 1 38 ILE 4.07 1.15 1 39 GLN 5.97 4.18 1 40 ALA 2.98 2.34 1 41 PHE 4.59 4.23 1 42 ILE 3.82 4.37 1 43 GLN 3.25 1.26 1 44 SER -0.87 0.62 1 46 ARG 6.80 5.51 1 48 ALA 1.86 1.22 1 49 LYS 2.13 0.89 1 50 PHE -3.26 -1.88 1 52 ASN 1.98 -0.53 1 53 LEU -3.56 -1.57 1 54 GLN -4.23 -1.79 1 55 ILE -0.10 -1.36 1 56 LYS -5.34 -1.87 1 57 TYR -0.01 -1.54 1 58 VAL -5.03 -2.48 1 59 ARG 1.56 0.87 1 61 LEU 1.09 1.40 1 62 ASP 1.14 0.72 1 64 VAL -6.77 -3.04 1 65 VAL -4.59 -2.61 1 66 LYS -3.61 -1.50 1 67 LEU -0.17 -1.35 1 68 LEU -3.56 -0.63 1 69 ASP -3.24 -2.07 1 70 ALA 2.78 2.18 1 71 SER 0.08 0.39 1 73 LYS -0.55 -0.64 1 74 VAL 3.27 1.80 1 75 GLN -1.47 0.27 1 76 GLU -5.48 -1.06 1 77 THR -0.88 -0.17 1 78 LEU -3.83 -1.72 1 79 SER 0.28 -0.47 1 80 ILE 0.65 -0.66 1 81 THR 4.02 2.62 1 82 LYS 0.66 -0.43 1 83 TRP -1.77 -1.18 1 84 ASN -0.25 -0.14 1 85 THR 4.28 3.09 1 87 THR 5.59 4.58 1 88 VAL 3.97 4.47 1 89 GLU 2.69 2.52 1 90 GLU 5.16 4.58 1 91 PHE 5.95 2.91 1 92 PHE 2.95 3.08 1 93 GLU 0.77 1.67 1 94 THR 1.90 2.37 1 95 HIS -2.24 -1.42 1 96 LEU 0.16 0.48 1 97 ALA -0.66 -0.23 1 98 LYS -0.41 0.13 1 99 ASP -0.07 0.19 1 101 ALA 0.29 0.25 1 103 LYS -0.06 0.16 1 104 ASN 0.25 0.22 1 105 SER -0.24 -0.06 1 106 TYR -0.48 -0.21 1 107 SER -0.01 0.10 1 108 VAL 0.07 0.03 1 109 VAL -0.84 -0.13 1 110 GLU -0.08 0.13 1 111 ASP -0.49 0.10 1 112 ALA -0.06 0.31 1 113 ASP -0.36 0.09 1 115 ASP 0.65 0.85 1 118 GLU 1.21 1.08 1 119 ASP 1.78 1.22 1 120 TYR 1.08 0.65 1 121 LEU 1.19 0.88 1 122 ARG 0.60 0.50 1 123 THR 0.28 0.31 1 124 ASN 0.32 0.28 1 125 ARG 0.93 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 4.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 -1.83 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 ALA -8.26 6.08 0 86 ASP 7.44 -0.41 0 12 GLN -0.43 0.32 1 13 GLN -0.15 0.21 1 15 ALA -0.20 0.29 1 16 ALA -0.05 0.18 1 17 GLN -0.30 0.08 1 18 ARG -0.16 0.26 1 19 THR -3.17 1.46 1 20 TYR -1.76 1.61 1 21 ALA 1.61 0.48 1 22 LYS -5.67 4.42 1 24 ILE -4.63 3.22 1 25 LEU -3.06 2.05 1 26 GLU -3.77 1.62 1 27 VAL -4.12 1.59 1 29 THR 5.93 -2.65 1 31 LYS -1.05 -0.46 1 32 PHE 2.89 -2.97 1 33 ARG 3.81 -1.43 1 34 ALA 0.64 0.11 1 35 TYR -0.82 -0.10 1 37 GLN 4.10 -1.43 1 38 ILE 4.07 -2.92 1 39 GLN 5.97 -1.79 1 40 ALA 2.98 -0.64 1 41 PHE 4.59 -0.36 1 42 ILE 3.82 0.55 1 43 GLN 3.25 -1.99 1 44 SER -0.87 1.49 1 46 ARG 6.80 -1.29 1 48 ALA 1.86 -0.64 1 49 LYS 2.13 -1.24 1 50 PHE -3.26 1.38 1 52 ASN 1.98 -2.51 1 53 LEU -3.56 1.99 1 54 GLN -4.23 2.44 1 55 ILE -0.10 -1.26 1 56 LYS -5.34 3.47 1 57 TYR -0.01 -1.53 1 58 VAL -5.03 2.55 1 59 ARG 1.56 -0.69 1 61 LEU 1.09 0.31 1 62 ASP 1.14 -0.42 1 64 VAL -6.77 3.73 1 65 VAL -4.59 1.98 1 66 LYS -3.61 2.11 1 67 LEU -0.17 -1.18 1 68 LEU -3.56 2.93 1 69 ASP -3.24 1.17 1 70 ALA 2.78 -0.60 1 71 SER 0.08 0.31 1 73 LYS -0.55 -0.09 1 74 VAL 3.27 -1.47 1 75 GLN -1.47 1.74 1 76 GLU -5.48 4.42 1 77 THR -0.88 0.71 1 78 LEU -3.83 2.11 1 79 SER 0.28 -0.75 1 80 ILE 0.65 -1.31 1 81 THR 4.02 -1.40 1 82 LYS 0.66 -1.09 1 83 TRP -1.77 0.59 1 84 ASN -0.25 0.11 1 85 THR 4.28 -1.19 1 87 THR 5.59 -1.01 1 88 VAL 3.97 0.50 1 89 GLU 2.69 -0.17 1 90 GLU 5.16 -0.58 1 91 PHE 5.95 -3.04 1 92 PHE 2.95 0.13 1 93 GLU 0.77 0.90 1 94 THR 1.90 0.47 1 95 HIS -2.24 0.82 1 96 LEU 0.16 0.32 1 97 ALA -0.66 0.43 1 98 LYS -0.41 0.54 1 99 ASP -0.07 0.26 1 101 ALA 0.29 -0.04 1 103 LYS -0.06 0.22 1 104 ASN 0.25 -0.03 1 105 SER -0.24 0.18 1 106 TYR -0.48 0.27 1 107 SER -0.01 0.11 1 108 VAL 0.07 -0.04 1 109 VAL -0.84 0.71 1 110 GLU -0.08 0.21 1 111 ASP -0.49 0.59 1 112 ALA -0.06 0.37 1 113 ASP -0.36 0.45 1 115 ASP 0.65 0.20 1 118 GLU 1.21 -0.13 1 119 ASP 1.78 -0.56 1 120 TYR 1.08 -0.43 1 121 LEU 1.19 -0.31 1 122 ARG 0.60 -0.10 1 123 THR 0.28 0.03 1 124 ASN 0.32 -0.04 1 125 ARG 0.93 0.84 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 0.99 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 TYR -0.01 1.19 0 80 ILE 0.65 -1.05 0 106 TYR -0.48 1.26 0 104 ASN 0.25 1.20 0 12 GLN -0.43 0.01 1 13 GLN -0.15 -0.08 1 15 ALA -0.20 -0.03 1 16 ALA -0.05 -0.06 1 17 GLN -0.30 -0.05 1 18 ARG -0.16 -0.08 1 19 THR -3.17 0.35 1 20 TYR -1.76 0.26 1 21 ALA 1.61 -0.14 1 22 LYS -5.67 0.61 1 23 ALA -8.26 1.30 1 24 ILE -4.63 0.87 1 25 LEU -3.06 0.85 1 26 GLU -3.77 1.14 1 27 VAL -4.12 0.20 1 29 THR 5.93 -0.57 1 31 LYS -1.05 0.59 1 32 PHE 2.89 -0.06 1 33 ARG 3.81 -0.25 1 34 ALA 0.64 -0.27 1 35 TYR -0.82 0.57 1 37 GLN 4.10 -0.14 1 38 ILE 4.07 -0.24 1 39 GLN 5.97 -1.32 1 40 ALA 2.98 -0.20 1 41 PHE 4.59 -0.50 1 42 ILE 3.82 -0.82 1 43 GLN 3.25 -0.02 1 44 SER -0.87 0.04 1 46 ARG 6.80 -0.62 1 48 ALA 1.86 -0.29 1 49 LYS 2.13 -0.42 1 50 PHE -3.26 0.34 1 52 ASN 1.98 0.17 1 53 LEU -3.56 0.61 1 54 GLN -4.23 0.41 1 55 ILE -0.10 0.57 1 56 LYS -5.34 0.20 1 58 VAL -5.03 0.47 1 59 ARG 1.56 0.10 1 61 LEU 1.09 -0.12 1 62 ASP 1.14 -0.11 1 64 VAL -6.77 0.74 1 65 VAL -4.59 1.05 1 66 LYS -3.61 0.64 1 67 LEU -0.17 0.41 1 68 LEU -3.56 1.04 1 69 ASP -3.24 0.59 1 70 ALA 2.78 0.19 1 71 SER 0.08 0.09 1 73 LYS -0.55 0.02 1 74 VAL 3.27 -0.31 1 75 GLN -1.47 0.18 1 76 GLU -5.48 0.31 1 77 THR -0.88 0.69 1 78 LEU -3.83 0.30 1 79 SER 0.28 0.01 1 81 THR 4.02 -1.00 1 82 LYS 0.66 0.21 1 83 TRP -1.77 -0.04 1 84 ASN -0.25 0.04 1 85 THR 4.28 -0.15 1 86 ASP 7.44 -0.16 1 87 THR 5.59 -0.76 1 88 VAL 3.97 -0.31 1 89 GLU 2.69 -0.23 1 90 GLU 5.16 -0.60 1 91 PHE 5.95 -0.46 1 92 PHE 2.95 0.02 1 93 GLU 0.77 -0.17 1 94 THR 1.90 0.10 1 95 HIS -2.24 0.79 1 96 LEU 0.16 -0.17 1 97 ALA -0.66 0.18 1 98 LYS -0.41 0.01 1 99 ASP -0.07 0.05 1 101 ALA 0.29 0.01 1 103 LYS -0.06 0.00 1 105 SER -0.24 0.09 1 107 SER -0.01 0.06 1 108 VAL 0.07 0.01 1 109 VAL -0.84 -0.02 1 110 GLU -0.08 -0.03 1 111 ASP -0.49 0.03 1 112 ALA -0.06 -0.02 1 113 ASP -0.36 0.00 1 115 ASP 0.65 -0.19 1 118 GLU 1.21 -0.13 1 119 ASP 1.78 -0.14 1 120 TYR 1.08 -0.17 1 121 LEU 1.19 -0.05 1 122 ARG 0.60 -0.06 1 123 THR 0.28 -0.02 1 124 ASN 0.32 0.04 1 125 ARG 0.93 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 -3.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 2.68 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 ASP -3.24 1.89 0 12 GLN -0.43 -0.38 1 16 ALA -0.05 -0.23 1 18 ARG -0.16 -1.18 1 19 THR -3.17 -0.85 1 20 TYR -1.76 -1.05 1 21 ALA 1.61 0.24 1 22 LYS -5.67 -3.11 1 23 ALA -8.26 -2.22 1 24 ILE -4.63 -2.03 1 25 LEU -3.06 -3.38 1 26 GLU -3.77 -1.59 1 27 VAL -4.12 -4.58 1 29 THR 5.93 1.85 1 32 PHE 2.89 1.82 1 33 ARG 3.81 1.33 1 34 ALA 0.64 -0.71 1 37 GLN 4.10 3.59 1 38 ILE 4.07 1.23 1 39 GLN 5.97 1.17 1 40 ALA 2.98 2.08 1 41 PHE 4.59 0.51 1 42 ILE 3.82 1.68 1 43 GLN 3.25 0.58 1 44 SER -0.87 0.22 1 48 ALA 1.86 0.68 1 49 LYS 2.13 -1.24 1 53 LEU -3.56 -2.79 1 54 GLN -4.23 -2.18 1 55 ILE -0.10 -1.42 1 56 LYS -5.34 -2.97 1 57 TYR -0.01 1.18 1 58 VAL -5.03 -0.84 1 59 ARG 1.56 1.34 1 61 LEU 1.09 -0.42 1 64 VAL -6.77 -2.86 1 65 VAL -4.59 -2.02 1 66 LYS -3.61 -1.43 1 67 LEU -0.17 -2.47 1 68 LEU -3.56 -0.86 1 70 ALA 2.78 0.68 1 71 SER 0.08 0.12 1 73 LYS -0.55 0.33 1 74 VAL 3.27 0.07 1 75 GLN -1.47 0.00 1 76 GLU -5.48 -2.67 1 77 THR -0.88 -1.30 1 78 LEU -3.83 -2.14 1 80 ILE 0.65 -1.18 1 81 THR 4.02 1.64 1 82 LYS 0.66 -0.11 1 83 TRP -1.77 -1.16 1 84 ASN -0.25 -1.08 1 85 THR 4.28 1.95 1 86 ASP 7.44 0.83 1 87 THR 5.59 1.95 1 88 VAL 3.97 1.12 1 89 GLU 2.69 2.30 1 90 GLU 5.16 2.89 1 91 PHE 5.95 1.93 1 92 PHE 2.95 1.66 1 93 GLU 0.77 1.35 1 94 THR 1.90 -0.32 1 95 HIS -2.24 -0.93 1 96 LEU 0.16 -0.16 1 97 ALA -0.66 -0.10 1 98 LYS -0.41 0.41 1 99 ASP -0.07 0.48 1 101 ALA 0.29 -0.19 1 103 LYS -0.06 -0.08 1 104 ASN 0.25 -0.63 1 105 SER -0.24 -0.35 1 106 TYR -0.48 -0.67 1 107 SER -0.01 -0.37 1 108 VAL 0.07 -0.38 1 109 VAL -0.84 -0.65 1 110 GLU -0.08 -0.52 1 111 ASP -0.49 -0.42 1 112 ALA -0.06 0.35 1 113 ASP 0.65 -0.58 1 118 GLU 1.21 0.83 1 119 ASP 1.78 0.51 1 120 TYR 1.08 0.17 1 121 LEU 1.19 0.61 1 122 ARG 0.60 -0.31 1 123 THR 0.28 -0.57 1 124 ASN 0.32 -1.15 1 stop_ save_