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 bmr18943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -2.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.49 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 4.66 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 MET 2.70 -0.38 0 107 TYR -7.41 -2.24 0 119 ILE -3.34 -3.80 0 60 HIS -4.62 0.22 0 98 TYR -6.40 -1.04 0 12 SER -0.55 -0.37 1 13 TYR -0.14 -0.08 1 14 ILE -0.34 -0.15 1 15 ASP -0.09 0.22 1 17 ASP 0.35 0.40 1 18 GLN 0.96 0.45 1 19 ALA 0.65 0.43 1 21 GLN -0.33 -0.25 1 22 LYS -0.28 -0.28 1 23 ALA -0.98 -0.70 1 24 GLU -0.76 -0.84 1 25 ASN -0.06 0.26 1 26 LEU -3.88 -1.38 1 27 THR 2.17 0.63 1 29 ASP 3.41 2.98 1 30 GLU 1.90 2.52 1 31 VAL 6.00 4.79 1 32 SER 5.47 4.54 1 33 LYS 3.53 3.03 1 34 ARG 3.33 2.69 1 35 GLU 0.42 1.48 1 37 ILE -2.08 -1.03 1 38 ASN 1.23 -0.09 1 39 ALA -1.95 -0.55 1 40 GLU -2.50 -0.83 1 41 GLN 2.82 0.76 1 42 ILE -1.75 -0.38 1 43 VAL 3.09 2.43 1 44 ILE -2.31 -0.08 1 45 LYS -2.71 0.51 1 46 ILE -2.19 0.48 1 47 THR -5.00 -2.69 1 48 ASP 2.35 2.10 1 49 GLN -0.58 0.64 1 51 TYR -2.73 -1.63 1 52 VAL -5.29 -2.37 1 53 THR -4.77 -3.83 1 54 SER -1.48 -0.89 1 55 HIS -7.17 -2.46 1 57 ASP 0.27 -0.24 1 58 HIS -0.23 0.48 1 59 TYR -4.97 -1.62 1 61 TYR -3.15 -1.82 1 62 TYR -4.25 -2.00 1 63 ASN -1.66 -0.01 1 65 LYS -1.18 -0.76 1 66 VAL 1.15 1.18 1 68 TYR 3.14 4.02 1 69 ASP -0.24 -1.28 1 70 ALA -1.03 0.31 1 71 ILE 0.24 -1.67 1 72 ILE -3.62 -0.95 1 73 SER -1.56 -0.80 1 74 GLU 2.84 1.71 1 75 GLU 1.66 1.82 1 76 LEU -1.18 -0.42 1 77 LEU -0.13 0.08 1 79 LYS -1.44 -0.76 1 80 ASP -1.28 -0.13 1 82 ASN -0.05 0.10 1 83 TYR 1.88 2.08 1 84 GLN -3.47 -2.60 1 85 LEU 1.61 0.89 1 86 LYS -3.90 -2.31 1 87 ASP 4.46 3.34 1 88 SER 2.81 1.63 1 89 ASP 0.73 0.72 1 90 ILE 3.16 3.49 1 91 VAL 2.37 2.23 1 92 ASN -0.94 0.66 1 93 GLU -1.05 0.62 1 94 ILE -4.99 -1.28 1 95 LYS 4.77 2.91 1 99 VAL 2.28 1.35 1 100 ILE -5.85 -2.16 1 101 LYS -3.09 -1.41 1 102 VAL -3.21 -1.12 1 103 ASP 2.25 1.09 1 105 LYS -3.83 -1.52 1 106 TYR -2.29 0.57 1 108 VAL -2.02 -0.92 1 109 TYR -4.97 -1.65 1 110 LEU -2.82 -2.10 1 111 LYS 3.07 2.54 1 112 ASP -1.47 -1.75 1 113 ALA 2.51 1.92 1 114 ALA 1.71 1.02 1 115 HIS 0.12 -0.25 1 116 ALA -1.07 -0.31 1 117 ASP 0.90 0.59 1 118 ASN 2.46 -0.42 1 120 ARG -5.75 -4.52 1 121 THR -2.83 -1.27 1 122 LYS 4.95 3.87 1 123 GLU 4.25 3.36 1 124 GLU 2.60 1.94 1 125 ILE 4.86 4.77 1 126 LYS 4.06 3.28 1 127 ARG 4.06 3.41 1 128 GLN 4.59 3.42 1 129 LYS 2.81 1.25 1 130 GLN 0.31 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 4.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.51 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 MET 2.70 -3.08 0 107 TYR -7.41 5.17 0 119 ILE -3.34 -0.46 0 60 HIS -4.62 4.84 0 98 TYR -6.40 5.36 0 12 SER -0.55 0.18 1 13 TYR -0.14 0.06 1 14 ILE -0.34 0.19 1 15 ASP -0.09 0.31 1 17 ASP 0.35 0.05 1 18 GLN 0.96 -0.51 1 19 ALA 0.65 -0.22 1 21 GLN -0.33 0.08 1 22 LYS -0.28 0.00 1 23 ALA -0.98 0.28 1 24 GLU -0.76 -0.08 1 25 ASN -0.06 0.32 1 26 LEU -3.88 2.50 1 27 THR 2.17 -1.54 1 29 ASP 3.41 -0.43 1 30 GLU 1.90 0.62 1 31 VAL 6.00 -1.21 1 32 SER 5.47 -0.93 1 33 LYS 3.53 -0.50 1 34 ARG 3.33 -0.64 1 35 GLU 0.42 1.06 1 37 ILE -2.08 1.05 1 38 ASN 1.23 -1.32 1 39 ALA -1.95 1.40 1 40 GLU -2.50 1.67 1 41 GLN 2.82 -2.06 1 42 ILE -1.75 1.37 1 43 VAL 3.09 -0.66 1 44 ILE -2.31 2.23 1 45 LYS -2.71 3.22 1 46 ILE -2.19 2.67 1 47 THR -5.00 2.31 1 48 ASP 2.35 -0.25 1 49 GLN -0.58 1.22 1 51 TYR -2.73 1.10 1 52 VAL -5.29 2.92 1 53 THR -4.77 0.94 1 54 SER -1.48 0.59 1 55 HIS -7.17 4.71 1 57 ASP 0.27 -0.51 1 58 HIS -0.23 0.71 1 59 TYR -4.97 3.35 1 61 TYR -3.15 1.33 1 62 TYR -4.25 2.25 1 63 ASN -1.66 1.65 1 65 LYS -1.18 0.42 1 66 VAL 1.15 0.03 1 68 TYR 3.14 0.88 1 69 ASP -0.24 -1.04 1 70 ALA -1.03 1.34 1 71 ILE 0.24 -1.91 1 72 ILE -3.62 2.67 1 73 SER -1.56 0.76 1 74 GLU 2.84 -1.13 1 75 GLU 1.66 0.16 1 76 LEU -1.18 0.76 1 77 LEU -0.13 0.21 1 79 LYS -1.44 0.68 1 80 ASP -1.28 1.15 1 82 ASN -0.05 0.15 1 83 TYR 1.88 0.20 1 84 GLN -3.47 0.87 1 85 LEU 1.61 -0.72 1 86 LYS -3.90 1.59 1 87 ASP 4.46 -1.12 1 88 SER 2.81 -1.18 1 89 ASP 0.73 -0.01 1 90 ILE 3.16 0.33 1 91 VAL 2.37 -0.14 1 92 ASN -0.94 1.60 1 93 GLU -1.05 1.67 1 94 ILE -4.99 3.71 1 95 LYS 4.77 -1.86 1 99 VAL 2.28 -0.93 1 100 ILE -5.85 3.69 1 101 LYS -3.09 1.68 1 102 VAL -3.21 2.09 1 103 ASP 2.25 -1.16 1 105 LYS -3.83 2.31 1 106 TYR -2.29 2.86 1 108 VAL -2.02 1.10 1 109 TYR -4.97 3.32 1 110 LEU -2.82 0.72 1 111 LYS 3.07 -0.53 1 112 ASP -1.47 -0.28 1 113 ALA 2.51 -0.59 1 114 ALA 1.71 -0.69 1 115 HIS 0.12 -0.37 1 116 ALA -1.07 0.76 1 117 ASP 0.90 -0.31 1 118 ASN 2.46 -2.88 1 120 ARG -5.75 1.23 1 121 THR -2.83 1.56 1 122 LYS 4.95 -1.08 1 123 GLU 4.25 -0.89 1 124 GLU 2.60 -0.66 1 125 ILE 4.86 -0.09 1 126 LYS 4.06 -0.78 1 127 ARG 4.06 -0.65 1 128 GLN 4.59 -1.17 1 129 LYS 2.81 -1.56 1 130 GLN 0.31 -0.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 66 VAL 1.15 -1.51 0 12 SER -0.55 -0.04 1 13 TYR -0.14 -0.01 1 14 ILE -0.34 -0.09 1 15 ASP -0.09 -0.14 1 17 ASP 0.35 -0.14 1 18 GLN 0.96 -0.22 1 19 ALA 0.65 -0.19 1 21 GLN -0.33 -0.19 1 22 LYS -0.28 -0.08 1 23 ALA -0.98 0.03 1 24 GLU -0.76 -0.09 1 25 ASN -0.06 0.14 1 26 LEU -3.88 0.38 1 27 THR 2.17 -0.12 1 29 ASP 3.41 -0.40 1 30 GLU 1.90 -0.37 1 31 VAL 6.00 -0.71 1 32 SER 5.47 -0.32 1 33 LYS 3.53 -0.27 1 34 ARG 3.33 -0.25 1 35 GLU 0.42 -0.16 1 37 ILE -2.08 0.33 1 38 ASN 1.23 0.00 1 39 ALA -1.95 -0.03 1 40 GLU -2.50 -0.10 1 41 GLN 2.82 0.27 1 42 ILE -1.75 -0.07 1 43 VAL 3.09 0.16 1 44 ILE -2.31 0.53 1 45 LYS -2.71 0.24 1 46 ILE -2.19 0.15 1 47 THR -5.00 0.38 1 48 ASP 2.35 -0.10 1 49 GLN -0.58 0.09 1 51 TYR -2.73 0.65 1 52 VAL -5.29 1.24 1 53 THR -4.77 1.28 1 54 SER -1.48 0.12 1 55 HIS -7.17 0.44 1 57 ASP 0.27 -0.33 1 58 HIS -0.23 0.04 1 59 TYR -4.97 1.00 1 60 HIS -4.62 0.07 1 61 TYR -3.15 0.47 1 62 TYR -4.25 -0.07 1 63 ASN -1.66 0.22 1 65 LYS -1.18 -0.21 1 68 TYR 3.14 -0.52 1 69 ASP -0.24 -0.08 1 70 ALA -1.03 -0.40 1 71 ILE 0.24 0.25 1 72 ILE -3.62 0.19 1 73 SER -1.56 -0.05 1 74 GLU 2.84 -0.35 1 75 GLU 1.66 -0.15 1 76 LEU -1.18 0.21 1 77 LEU -0.13 0.39 1 78 MET 2.70 0.00 1 79 LYS -1.44 0.21 1 80 ASP -1.28 -0.18 1 82 ASN -0.05 -0.08 1 83 TYR 1.88 -0.43 1 84 GLN -3.47 -0.23 1 85 LEU 1.61 -0.59 1 86 LYS -3.90 0.26 1 87 ASP 4.46 -0.56 1 88 SER 2.81 -0.30 1 89 ASP 0.73 0.14 1 90 ILE 3.16 -0.52 1 91 VAL 2.37 -0.01 1 92 ASN -0.94 0.21 1 93 GLU -1.05 0.46 1 94 ILE -4.99 0.09 1 95 LYS 4.77 -1.01 1 98 TYR -6.40 0.82 1 99 VAL 2.28 0.60 1 100 ILE -5.85 1.29 1 101 LYS -3.09 0.52 1 102 VAL -3.21 0.13 1 103 ASP 2.25 -0.36 1 105 LYS -3.83 0.23 1 106 TYR -2.29 0.67 1 107 TYR -7.41 0.67 1 108 VAL -2.02 0.78 1 109 TYR -4.97 0.37 1 110 LEU -2.82 0.38 1 111 LYS 3.07 -0.34 1 112 ASP -1.47 0.12 1 113 ALA 2.51 -0.44 1 114 ALA 1.71 -0.26 1 115 HIS 0.12 0.09 1 116 ALA -1.07 0.14 1 117 ASP 0.90 -0.03 1 118 ASN 2.46 -0.13 1 119 ILE -3.34 1.21 1 120 ARG -5.75 0.87 1 121 THR -2.83 -0.11 1 122 LYS 4.95 -0.30 1 123 GLU 4.25 -0.35 1 124 GLU 2.60 -0.10 1 125 ILE 4.86 -0.79 1 126 LYS 4.06 -0.44 1 127 ARG 4.06 -0.36 1 128 GLN 4.59 -0.30 1 129 LYS 2.81 -0.41 1 130 GLN 0.31 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.78 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 1.89 _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 51 TYR -2.73 -4.09 0 52 VAL -5.29 1.15 0 118 ASN 2.46 -2.74 0 12 SER -0.55 -0.76 1 13 TYR -0.14 -0.52 1 14 ILE -0.34 -1.03 1 15 ASP -0.09 0.20 1 17 ASP 0.35 0.30 1 18 GLN 0.96 -0.06 1 19 ALA 0.65 0.34 1 21 GLN -0.33 -0.80 1 22 LYS -0.28 -0.68 1 23 ALA -0.98 0.60 1 24 GLU -0.76 0.25 1 25 ASN -0.06 -0.52 1 26 LEU -3.88 -0.60 1 29 ASP 3.41 2.48 1 30 GLU 1.90 2.80 1 31 VAL 6.00 2.04 1 32 SER 5.47 2.85 1 33 LYS 3.53 2.02 1 34 ARG 3.33 2.29 1 35 GLU 0.42 2.02 1 37 ILE -2.08 -0.35 1 38 ASN 1.23 -0.72 1 39 ALA -1.95 -1.00 1 40 GLU -2.50 0.40 1 41 GLN 2.82 -2.03 1 42 ILE -1.75 -0.48 1 43 VAL 3.09 -0.18 1 44 ILE -2.31 -0.70 1 45 LYS -2.71 -3.19 1 46 ILE -2.19 -2.95 1 47 THR -5.00 -1.56 1 48 ASP 2.35 1.26 1 49 GLN -0.58 0.45 1 53 THR -4.77 -0.99 1 54 SER -1.48 -0.23 1 55 HIS -7.17 -1.73 1 57 ASP 0.27 -1.11 1 58 HIS -0.23 -2.42 1 59 TYR -4.97 -0.94 1 60 HIS -4.62 -2.36 1 61 TYR -3.15 -3.33 1 62 TYR -4.25 -1.38 1 63 ASN -1.66 1.41 1 65 LYS -1.18 0.39 1 68 TYR 3.14 0.74 1 69 ASP -0.24 -0.91 1 70 ALA -1.03 -2.22 1 71 ILE 0.24 -0.19 1 72 ILE -3.62 -1.58 1 73 SER -1.56 1.95 1 74 GLU 2.84 0.89 1 75 GLU 1.66 0.96 1 76 LEU -1.18 -0.59 1 77 LEU -0.13 0.58 1 78 MET 2.70 -1.10 1 79 LYS -1.44 -0.66 1 82 ASN -0.05 0.16 1 83 TYR 1.88 -1.34 1 84 GLN -3.47 -3.06 1 85 LEU 1.61 -1.31 1 86 LYS -3.90 0.21 1 87 ASP 4.46 2.35 1 88 SER 2.81 0.48 1 89 ASP 0.73 0.17 1 90 ILE 3.16 -0.29 1 91 VAL 2.37 0.08 1 92 ASN -0.94 -2.29 1 93 GLU -1.05 -0.82 1 94 ILE -4.99 -2.10 1 95 LYS 4.77 -0.09 1 98 TYR -6.40 -0.23 1 99 VAL 2.28 -0.29 1 100 ILE -5.85 -3.47 1 101 LYS -3.09 -1.16 1 102 VAL -3.21 0.11 1 103 ASP 2.25 -0.36 1 105 LYS -3.83 -2.77 1 106 TYR -2.29 -0.07 1 107 TYR -7.41 -1.21 1 108 VAL -2.02 -2.58 1 109 TYR -4.97 -1.98 1 110 LEU -2.82 -1.00 1 111 LYS 3.07 0.30 1 112 ASP -1.47 -0.30 1 113 ALA 2.51 0.56 1 114 ALA 1.71 0.27 1 115 HIS 0.12 -0.56 1 116 ALA -1.07 -0.14 1 117 ASP 0.90 0.59 1 119 ILE -3.34 1.26 1 120 ARG -5.75 -0.86 1 121 THR -2.83 0.71 1 122 LYS 4.95 2.80 1 123 GLU 4.25 1.91 1 124 GLU 2.60 2.01 1 125 ILE 4.86 1.97 1 126 LYS 4.06 2.33 1 127 ARG 4.06 3.16 1 128 GLN 4.59 1.49 1 129 LYS 2.81 0.58 1 130 GLN 0.31 0.36 1 stop_ save_