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 bmr4271_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -2.09 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 6.30 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 THR -3.45 4.00 0 10 ASP 0.86 -1.21 1 11 VAL 3.57 2.99 1 12 ASN 0.78 -1.00 1 14 ASP -0.11 -0.80 1 16 ALA -5.80 -2.06 1 17 VAL -1.80 -1.43 1 18 SER -4.72 -2.05 1 19 TYR 6.13 4.85 1 20 GLU 4.64 3.63 1 21 GLU 3.86 2.84 1 22 VAL 7.19 5.64 1 23 LYS 5.36 4.43 1 24 ALA 2.95 2.71 1 25 PHE 3.26 3.78 1 26 VAL 5.61 4.75 1 27 SER 3.08 2.60 1 28 LYS 1.00 2.15 1 29 LYS -1.97 -0.57 1 30 ARG -2.09 -1.09 1 31 ALA -0.67 -0.91 1 32 ILE 1.17 0.34 1 33 LYS 0.52 0.96 1 34 ASN -1.22 -1.49 1 35 GLU 3.89 3.14 1 36 GLN 4.93 3.83 1 37 LEU 3.39 2.79 1 38 LEU 4.31 3.27 1 39 GLN 5.25 4.33 1 40 LEU 2.84 3.04 1 41 ILE 5.44 5.26 1 42 PHE 4.69 5.64 1 43 LYS 3.34 3.10 1 44 SER 4.66 4.73 1 45 ILE 2.69 1.89 1 46 ASP 0.96 -1.38 1 47 ALA 1.98 2.57 1 48 ASP 0.08 -1.16 1 50 ASN 0.86 -0.24 1 52 GLU -6.30 -2.79 1 53 ILE -0.65 -0.97 1 54 ASP -2.79 -1.69 1 55 GLN 5.07 4.27 1 56 ASN 3.52 3.24 1 57 GLU 2.38 2.59 1 58 PHE 3.95 4.48 1 59 ALA 3.24 2.87 1 60 LYS 2.91 2.56 1 61 PHE 0.63 1.55 1 62 TYR 3.61 3.17 1 64 SER 2.55 2.50 1 65 ILE -1.98 -0.78 1 66 GLN 3.08 1.88 1 68 GLN -1.04 -1.01 1 69 ASP -2.13 -0.77 1 70 LEU 2.66 1.91 1 71 SER 0.96 1.16 1 72 ASP -1.15 0.18 1 73 ASP 3.10 3.37 1 74 LYS -0.09 -0.88 1 75 ILE 2.81 1.40 1 77 LEU 2.27 2.71 1 78 LYS 4.63 4.66 1 79 VAL 5.50 4.50 1 80 LEU 4.48 4.40 1 81 TYR 5.19 5.02 1 82 LYS 3.26 2.74 1 83 LEU 2.44 1.96 1 84 MET -0.21 2.49 1 85 ASP 1.40 -1.22 1 86 VAL 4.20 3.48 1 87 ASP 0.48 -1.12 1 89 ASP 0.12 -0.43 1 91 LYS -1.69 -1.62 1 92 LEU -3.39 -1.77 1 94 LYS 4.05 3.44 1 95 GLU 2.82 3.31 1 96 GLU 4.98 4.84 1 97 VAL 6.62 5.63 1 98 THR 4.57 3.95 1 99 SER 5.10 4.50 1 100 PHE 7.06 5.94 1 101 PHE 4.11 3.87 1 102 LYS 4.59 2.98 1 103 LYS -1.29 1.34 1 104 HIS -1.43 -1.47 1 106 ILE 2.55 3.05 1 107 GLU 3.97 2.93 1 108 LYS 3.65 2.65 1 109 VAL 2.82 3.14 1 110 ALA 3.62 2.61 1 111 GLU 2.80 2.55 1 112 GLN 5.70 3.88 1 113 VAL 1.67 0.67 1 114 MET 3.13 1.93 1 115 LYS 1.58 0.25 1 116 ALA 1.51 -0.74 1 117 ASP 1.35 2.08 1 118 ALA 0.32 -1.32 1 119 ASN 0.15 -0.68 1 121 ASP -5.81 -3.11 1 123 TYR -2.68 -1.76 1 124 ILE -1.90 -0.70 1 125 THR 5.94 3.95 1 126 LEU 4.95 4.20 1 127 GLU 2.25 2.40 1 128 GLU 2.87 3.82 1 129 PHE 2.94 1.77 1 130 LEU -0.98 -0.77 1 131 GLU -0.52 0.28 1 132 PHE -1.66 -1.18 1 133 SER 0.52 1.92 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4271_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 3.64 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.09 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 THR -3.45 7.45 0 10 ASP 0.86 -2.07 1 11 VAL 3.57 -0.58 1 12 ASN 0.78 -1.78 1 14 ASP -0.11 -0.69 1 16 ALA -5.80 3.74 1 17 VAL -1.80 0.37 1 18 SER -4.72 2.67 1 19 TYR 6.13 -1.28 1 20 GLU 4.64 -1.01 1 21 GLU 3.86 -1.02 1 22 VAL 7.19 -1.55 1 23 LYS 5.36 -0.93 1 24 ALA 2.95 -0.24 1 25 PHE 3.26 0.52 1 26 VAL 5.61 -0.86 1 27 SER 3.08 -0.48 1 28 LYS 1.00 1.15 1 29 LYS -1.97 1.40 1 30 ARG -2.09 1.00 1 31 ALA -0.67 -0.24 1 32 ILE 1.17 -0.83 1 33 LYS 0.52 0.44 1 34 ASN -1.22 -0.27 1 35 GLU 3.89 -0.75 1 36 GLN 4.93 -1.10 1 37 LEU 3.39 -0.60 1 38 LEU 4.31 -1.04 1 39 GLN 5.25 -0.92 1 40 LEU 2.84 0.20 1 41 ILE 5.44 -0.18 1 42 PHE 4.69 0.95 1 43 LYS 3.34 -0.24 1 44 SER 4.66 0.07 1 45 ILE 2.69 -0.80 1 46 ASP 0.96 -2.34 1 47 ALA 1.98 0.59 1 48 ASP 0.08 -1.24 1 50 ASN 0.86 -1.10 1 52 GLU -6.30 3.51 1 53 ILE -0.65 -0.32 1 54 ASP -2.79 1.10 1 55 GLN 5.07 -0.80 1 56 ASN 3.52 -0.28 1 57 GLU 2.38 0.21 1 58 PHE 3.95 0.53 1 59 ALA 3.24 -0.37 1 60 LYS 2.91 -0.35 1 61 PHE 0.63 0.92 1 62 TYR 3.61 -0.44 1 64 SER 2.55 -0.05 1 65 ILE -1.98 1.20 1 66 GLN 3.08 -1.20 1 68 GLN -1.04 0.03 1 69 ASP -2.13 1.36 1 70 LEU 2.66 -0.75 1 71 SER 0.96 0.20 1 72 ASP -1.15 1.33 1 73 ASP 3.10 0.27 1 74 LYS -0.09 -0.79 1 75 ILE 2.81 -1.41 1 77 LEU 2.27 0.44 1 78 LYS 4.63 0.03 1 79 VAL 5.50 -1.00 1 80 LEU 4.48 -0.08 1 81 TYR 5.19 -0.17 1 82 LYS 3.26 -0.52 1 83 LEU 2.44 -0.48 1 84 MET -0.21 2.70 1 85 ASP 1.40 -2.62 1 86 VAL 4.20 -0.72 1 87 ASP 0.48 -1.60 1 89 ASP 0.12 -0.55 1 91 LYS -1.69 0.07 1 92 LEU -3.39 1.62 1 94 LYS 4.05 -0.61 1 95 GLU 2.82 0.49 1 96 GLU 4.98 -0.14 1 97 VAL 6.62 -0.99 1 98 THR 4.57 -0.62 1 99 SER 5.10 -0.60 1 100 PHE 7.06 -1.12 1 101 PHE 4.11 -0.24 1 102 LYS 4.59 -1.61 1 103 LYS -1.29 2.63 1 104 HIS -1.43 -0.04 1 106 ILE 2.55 0.50 1 107 GLU 3.97 -1.04 1 108 LYS 3.65 -1.00 1 109 VAL 2.82 0.32 1 110 ALA 3.62 -1.01 1 111 GLU 2.80 -0.25 1 112 GLN 5.70 -1.82 1 113 VAL 1.67 -1.00 1 114 MET 3.13 -1.20 1 115 LYS 1.58 -1.33 1 116 ALA 1.51 -2.25 1 117 ASP 1.35 0.73 1 118 ALA 0.32 -1.64 1 119 ASN 0.15 -0.83 1 121 ASP -5.81 2.70 1 123 TYR -2.68 0.92 1 124 ILE -1.90 1.20 1 125 THR 5.94 -1.99 1 126 LEU 4.95 -0.75 1 127 GLU 2.25 0.15 1 128 GLU 2.87 0.95 1 129 PHE 2.94 -1.17 1 130 LEU -0.98 0.21 1 131 GLU -0.52 0.80 1 132 PHE -1.66 0.48 1 133 SER 0.52 1.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4271_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 84 MET -0.21 -0.77 0 91 LYS -1.69 1.11 0 123 TYR -2.68 1.20 0 10 ASP 0.86 -0.10 1 11 VAL 3.57 -0.23 1 12 ASN 0.78 0.10 1 14 ASP -0.11 -0.04 1 16 ALA -5.80 0.72 1 17 VAL -1.80 0.95 1 18 SER -4.72 0.57 1 19 TYR 6.13 -1.15 1 20 GLU 4.64 -0.67 1 21 GLU 3.86 -0.22 1 22 VAL 7.19 -0.55 1 23 LYS 5.36 -0.75 1 24 ALA 2.95 -0.25 1 25 PHE 3.26 -0.36 1 26 VAL 5.61 -0.83 1 27 SER 3.08 0.46 1 28 LYS 1.00 -0.16 1 29 LYS -1.97 0.03 1 30 ARG -2.09 0.20 1 31 ALA -0.67 0.11 1 32 ILE 1.17 -0.07 1 33 LYS 0.52 0.16 1 34 ASN -1.22 0.25 1 35 GLU 3.89 -0.16 1 36 GLN 4.93 0.34 1 37 LEU 3.39 -0.16 1 38 LEU 4.31 -0.16 1 39 GLN 5.25 -0.34 1 40 LEU 2.84 -0.33 1 41 ILE 5.44 -0.14 1 42 PHE 4.69 0.33 1 43 LYS 3.34 -0.19 1 44 SER 4.66 -0.26 1 45 ILE 2.69 -0.54 1 46 ASP 0.96 -0.21 1 47 ALA 1.98 -0.23 1 48 ASP 0.08 0.06 1 50 ASN 0.86 -0.06 1 52 GLU -6.30 0.74 1 53 ILE -0.65 0.81 1 54 ASP -2.79 0.64 1 55 GLN 5.07 -1.05 1 56 ASN 3.52 -0.14 1 57 GLU 2.38 -0.30 1 58 PHE 3.95 -0.54 1 59 ALA 3.24 -0.25 1 60 LYS 2.91 -0.22 1 61 PHE 0.63 -0.02 1 62 TYR 3.61 0.04 1 64 SER 2.55 0.21 1 65 ILE -1.98 0.20 1 66 GLN 3.08 -0.55 1 68 GLN -1.04 0.06 1 69 ASP -2.13 0.09 1 70 LEU 2.66 -0.16 1 71 SER 0.96 -0.12 1 72 ASP -1.15 -0.14 1 73 ASP 3.10 0.04 1 74 LYS -0.09 0.40 1 75 ILE 2.81 -0.08 1 77 LEU 2.27 0.04 1 78 LYS 4.63 -0.30 1 79 VAL 5.50 -0.44 1 80 LEU 4.48 -0.39 1 81 TYR 5.19 -0.42 1 82 LYS 3.26 -0.28 1 83 LEU 2.44 -0.27 1 85 ASP 1.40 -0.16 1 86 VAL 4.20 -0.30 1 87 ASP 0.48 0.01 1 89 ASP 0.12 -0.18 1 92 LEU -3.39 0.44 1 93 THR -3.45 0.02 1 94 LYS 4.05 -0.23 1 95 GLU 2.82 -0.28 1 96 GLU 4.98 -0.38 1 97 VAL 6.62 -0.03 1 98 THR 4.57 -0.27 1 99 SER 5.10 -0.49 1 100 PHE 7.06 -0.44 1 101 PHE 4.11 -0.16 1 102 LYS 4.59 -0.36 1 103 LYS -1.29 -0.05 1 104 HIS -1.43 0.65 1 106 ILE 2.55 -0.39 1 107 GLU 3.97 -0.14 1 108 LYS 3.65 -0.44 1 109 VAL 2.82 -0.69 1 110 ALA 3.62 -0.37 1 111 GLU 2.80 -0.22 1 112 GLN 5.70 -0.68 1 113 VAL 1.67 0.03 1 114 MET 3.13 0.13 1 115 LYS 1.58 -0.17 1 116 ALA 1.51 0.01 1 117 ASP 1.35 -0.11 1 118 ALA 0.32 0.13 1 119 ASN 0.15 -0.16 1 121 ASP -5.81 0.85 1 124 ILE -1.90 0.52 1 125 THR 5.94 -1.05 1 126 LEU 4.95 -0.48 1 127 GLU 2.25 -0.19 1 128 GLU 2.87 -0.47 1 129 PHE 2.94 -0.18 1 130 LEU -0.98 0.05 1 131 GLU -0.52 -0.13 1 132 PHE -1.66 -0.32 1 133 SER 0.52 -0.44 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4271_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 -1.22 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 2.21 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 GLU -6.30 -2.21 0 30 ARG -2.09 -3.56 0 10 ASP 0.86 1.02 1 11 VAL 3.57 1.17 1 12 ASN 0.78 1.37 1 14 ASP -0.11 1.47 1 16 ALA -5.80 -1.99 1 17 VAL -1.80 -0.94 1 18 SER -4.72 0.47 1 19 TYR 6.13 1.20 1 20 GLU 4.64 3.42 1 21 GLU 3.86 3.79 1 22 VAL 7.19 0.57 1 23 LYS 5.36 2.14 1 24 ALA 2.95 1.84 1 25 PHE 3.26 1.74 1 26 VAL 5.61 1.77 1 27 SER 3.08 0.69 1 28 LYS 1.00 0.94 1 29 LYS -1.97 -0.56 1 31 ALA -0.67 0.19 1 32 ILE 1.17 -0.21 1 33 LYS 0.52 2.97 1 34 ASN -1.22 -0.36 1 35 GLU 3.89 0.94 1 36 GLN 4.93 2.82 1 37 LEU 3.39 0.39 1 38 LEU 4.31 0.84 1 39 GLN 5.25 2.22 1 40 LEU 2.84 1.97 1 41 ILE 5.44 0.69 1 42 PHE 4.69 0.84 1 43 LYS 3.34 1.54 1 44 SER 4.66 0.39 1 45 ILE 2.69 0.84 1 46 ASP 0.96 -0.11 1 47 ALA 1.98 1.32 1 48 ASP 0.08 1.69 1 50 ASN 0.86 -2.16 1 53 ILE -0.65 -0.59 1 54 ASP -2.79 0.27 1 55 GLN 5.07 2.59 1 56 ASN 3.52 3.02 1 57 GLU 2.38 3.57 1 58 PHE 3.95 0.77 1 59 ALA 3.24 2.59 1 60 LYS 2.91 1.47 1 61 PHE 0.63 0.69 1 62 TYR 3.61 0.89 1 64 SER 2.55 -0.66 1 65 ILE -1.98 -0.66 1 66 GLN 3.08 0.79 1 68 GLN -1.04 -1.09 1 69 ASP -2.13 0.64 1 70 LEU 2.66 -1.33 1 71 SER 0.96 -0.21 1 72 ASP -1.15 1.84 1 73 ASP 3.10 1.84 1 74 LYS -0.09 0.57 1 75 ILE 2.81 -0.81 1 77 LEU 2.27 1.44 1 78 LYS 4.63 2.74 1 79 VAL 5.50 -1.09 1 80 LEU 4.48 -0.06 1 81 TYR 5.19 1.04 1 82 LYS 3.26 2.67 1 83 LEU 2.44 0.62 1 84 MET -0.21 0.79 1 85 ASP 1.40 1.84 1 86 VAL 4.20 1.17 1 87 ASP 0.48 1.54 1 89 ASP 0.12 1.47 1 91 LYS -1.69 -0.22 1 92 LEU -3.39 0.59 1 93 THR -3.45 -2.28 1 94 LYS 4.05 2.74 1 95 GLU 2.82 3.79 1 96 GLU 4.98 1.47 1 97 VAL 6.62 2.32 1 98 THR 4.57 2.12 1 99 SER 5.10 0.84 1 100 PHE 7.06 2.57 1 101 PHE 4.11 3.64 1 102 LYS 4.59 1.02 1 103 LYS -1.29 0.97 1 104 HIS -1.43 -0.13 1 106 ILE 2.55 1.54 1 107 GLU 3.97 1.84 1 108 LYS 3.65 1.02 1 109 VAL 2.82 1.09 1 110 ALA 3.62 2.29 1 111 GLU 2.80 2.82 1 112 GLN 5.70 1.17 1 113 VAL 1.67 3.27 1 114 MET 3.13 0.27 1 115 LYS 1.58 -0.03 1 116 ALA 1.51 -0.34 1 117 ASP 1.35 0.64 1 118 ALA 0.32 1.37 1 119 ASN 0.15 0.42 1 121 ASP -5.81 -0.83 1 123 TYR -2.68 2.04 1 124 ILE -1.90 0.44 1 125 THR 5.94 0.17 1 126 LEU 4.95 3.42 1 127 GLU 2.25 3.04 1 128 GLU 2.87 0.54 1 129 PHE 2.94 0.32 1 130 LEU -0.98 -0.11 1 131 GLU -0.52 -2.01 1 132 PHE -1.66 -2.69 1 stop_ save_