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 bmr25250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 -3.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.57 _LACS_plot.Line_2_terminator_val_x_2 8.14 _LACS_plot.Line_2_terminator_val_y_2 6.50 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 MET -5.85 -1.76 0 83 GLN -6.09 -1.55 0 10 HIS -0.37 0.62 1 11 SER -0.20 -0.20 1 12 SER 0.20 0.22 1 14 LEU -0.11 -0.13 1 15 VAL 0.05 -0.00 1 17 ARG 0.39 0.30 1 19 SER -0.10 -0.06 1 20 HIS 0.22 0.59 1 21 MET 0.05 0.03 1 22 SER -0.15 -0.16 1 23 ASN -0.08 -0.08 1 24 LYS 0.05 -0.01 1 26 SER -0.43 -0.24 1 27 LYS -0.00 -0.01 1 29 LYS 0.31 0.15 1 30 THR -0.32 -0.18 1 31 ASN 0.17 -0.05 1 32 MET 0.12 0.03 1 33 LYS 0.23 0.15 1 34 HIS -0.02 0.40 1 35 VAL -0.18 -0.22 1 36 ALA -0.03 0.09 1 38 ALA -0.22 -0.04 1 39 ALA -0.02 -0.07 1 40 ALA -0.20 -0.16 1 41 ALA 0.18 0.13 1 43 ALA -0.54 -0.20 1 44 VAL 0.14 -0.02 1 45 VAL 0.46 0.21 1 48 LEU -0.07 -0.10 1 51 TYR -1.09 0.09 1 52 MET -3.36 -1.67 1 53 LEU -2.90 -1.73 1 55 SER -0.08 0.11 1 56 VAL 2.44 1.70 1 58 SER 1.11 0.40 1 61 LEU 1.38 -0.73 1 62 ILE -2.86 -1.93 1 63 HIS -1.07 -0.88 1 64 PHE 1.80 2.24 1 66 ASN -3.14 -0.56 1 67 ASP 3.60 3.55 1 68 TYR 4.96 3.73 1 69 GLU 3.71 3.18 1 70 ASP 4.49 4.43 1 71 ARG 4.54 3.51 1 72 TYR 4.40 4.08 1 73 TYR 3.67 3.36 1 74 ARG 5.02 3.76 1 75 GLU 1.29 1.36 1 76 ASN -0.73 1.19 1 77 MET 4.95 4.34 1 78 TYR 3.53 1.20 1 79 ARG 0.60 0.22 1 80 TYR 0.74 -1.66 1 82 ASN -0.40 -1.49 1 84 VAL -4.46 -3.61 1 85 TYR -3.78 -0.88 1 86 TYR -3.55 -2.04 1 87 ARG -0.29 -0.61 1 89 VAL 3.23 2.75 1 90 ASP 1.41 -1.03 1 93 SER 0.63 0.85 1 94 ASN -2.15 -0.83 1 96 ASN 4.61 3.39 1 97 ASN 3.77 2.90 1 99 VAL 6.32 5.37 1 100 HIS 4.95 4.30 1 101 ASP 3.15 3.03 1 103 VAL 5.25 4.27 1 104 ASN 3.53 3.45 1 105 ILE 2.17 0.43 1 106 THR 8.14 6.56 1 107 VAL 5.43 3.84 1 108 LYS 1.60 1.05 1 109 GLN 0.42 -0.34 1 111 GLU -1.43 -0.44 1 112 ASN 1.80 0.55 1 113 PHE -1.29 -1.44 1 114 THR -3.30 -1.28 1 115 GLU 3.87 3.17 1 116 THR 5.35 4.39 1 117 ASP 2.89 3.30 1 118 ILE 4.98 3.47 1 119 LYS 3.81 2.89 1 120 ILE 3.90 2.88 1 121 MET 3.53 3.62 1 122 GLU 5.11 4.14 1 123 ARG 2.86 2.39 1 124 VAL 4.21 4.10 1 125 VAL 5.64 3.78 1 126 GLU 5.09 4.38 1 127 GLN 4.62 2.91 1 128 MET 2.66 4.31 1 130 ILE 6.44 5.72 1 131 THR 7.06 5.39 1 132 GLN 4.22 2.96 1 133 TYR 5.98 4.15 1 134 GLN 5.31 3.38 1 135 ARG 3.65 3.19 1 136 GLU 1.15 1.14 1 137 SER 3.84 2.72 1 138 GLN 3.33 2.21 1 139 ALA 2.02 1.40 1 140 TYR 2.07 1.95 1 141 TYR 1.69 1.11 1 142 GLN 1.09 0.55 1 143 ARG 0.85 0.64 1 145 ALA -0.45 -0.11 1 146 SER 0.54 1.61 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 8.14 _LACS_plot.Line_2_terminator_val_y_2 -1.64 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 MET -5.85 4.09 0 83 GLN -6.09 4.54 0 10 HIS -0.37 0.99 1 11 SER -0.20 0.00 1 12 SER 0.20 0.02 1 14 LEU -0.11 -0.02 1 15 VAL 0.05 -0.05 1 17 ARG 0.39 -0.09 1 19 SER -0.10 0.04 1 20 HIS 0.22 0.37 1 21 MET 0.05 -0.02 1 22 SER -0.15 -0.01 1 23 ASN -0.08 0.00 1 24 LYS 0.05 -0.06 1 26 SER -0.43 0.19 1 27 LYS -0.00 -0.01 1 29 LYS 0.31 -0.16 1 30 THR -0.32 0.14 1 31 ASN 0.17 -0.22 1 32 MET 0.12 -0.09 1 33 LYS 0.23 -0.08 1 34 HIS -0.02 0.42 1 35 VAL -0.18 -0.04 1 36 ALA -0.03 0.12 1 38 ALA -0.22 0.18 1 39 ALA -0.02 -0.05 1 40 ALA -0.20 0.04 1 41 ALA 0.18 -0.05 1 43 ALA -0.54 0.34 1 44 VAL 0.14 -0.16 1 45 VAL 0.46 -0.25 1 48 LEU -0.07 -0.03 1 51 TYR -1.09 1.18 1 52 MET -3.36 1.69 1 53 LEU -2.90 1.17 1 55 SER -0.08 0.19 1 56 VAL 2.44 -0.74 1 58 SER 1.11 -0.71 1 61 LEU 1.38 -2.11 1 62 ILE -2.86 0.93 1 63 HIS -1.07 0.19 1 64 PHE 1.80 0.44 1 66 ASN -3.14 2.58 1 67 ASP 3.60 -0.05 1 68 TYR 4.96 -1.23 1 69 GLU 3.71 -0.53 1 70 ASP 4.49 -0.06 1 71 ARG 4.54 -1.03 1 72 TYR 4.40 -0.32 1 73 TYR 3.67 -0.31 1 74 ARG 5.02 -1.26 1 75 GLU 1.29 0.07 1 76 ASN -0.73 1.92 1 77 MET 4.95 -0.61 1 78 TYR 3.53 -2.33 1 79 ARG 0.60 -0.38 1 80 TYR 0.74 -2.40 1 82 ASN -0.40 -1.09 1 84 VAL -4.46 0.85 1 85 TYR -3.78 2.90 1 86 TYR -3.55 1.51 1 87 ARG -0.29 -0.32 1 89 VAL 3.23 -0.48 1 90 ASP 1.41 -2.44 1 93 SER 0.63 0.22 1 94 ASN -2.15 1.32 1 96 ASN 4.61 -1.22 1 97 ASN 3.77 -0.87 1 99 VAL 6.32 -0.95 1 100 HIS 4.95 -0.65 1 101 ASP 3.15 -0.12 1 103 VAL 5.25 -0.98 1 104 ASN 3.53 -0.08 1 105 ILE 2.17 -1.74 1 106 THR 8.14 -1.58 1 107 VAL 5.43 -1.59 1 108 LYS 1.60 -0.55 1 109 GLN 0.42 -0.76 1 111 GLU -1.43 0.99 1 112 ASN 1.80 -1.25 1 113 PHE -1.29 -0.15 1 114 THR -3.30 2.02 1 115 GLU 3.87 -0.70 1 116 THR 5.35 -0.96 1 117 ASP 2.89 0.41 1 118 ILE 4.98 -1.51 1 119 LYS 3.81 -0.92 1 120 ILE 3.90 -1.02 1 121 MET 3.53 0.09 1 122 GLU 5.11 -0.97 1 123 ARG 2.86 -0.47 1 124 VAL 4.21 -0.11 1 125 VAL 5.64 -1.86 1 126 GLU 5.09 -0.71 1 127 GLN 4.62 -1.71 1 128 MET 2.66 1.65 1 130 ILE 6.44 -0.72 1 131 THR 7.06 -1.67 1 132 GLN 4.22 -1.26 1 133 TYR 5.98 -1.83 1 134 GLN 5.31 -1.93 1 135 ARG 3.65 -0.46 1 136 GLU 1.15 -0.01 1 137 SER 3.84 -1.12 1 138 GLN 3.33 -1.12 1 139 ALA 2.02 -0.62 1 140 TYR 2.07 -0.12 1 141 TYR 1.69 -0.58 1 142 GLN 1.09 -0.54 1 143 ARG 0.85 -0.21 1 145 ALA -0.45 0.34 1 146 SER 0.54 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 0.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 8.14 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _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 133 TYR 5.98 -1.67 0 11 SER -0.20 -0.01 1 12 SER 0.20 0.01 1 14 LEU -0.11 0.02 1 15 VAL 0.05 -0.06 1 17 ARG 0.39 -0.04 1 19 SER -0.10 -0.05 1 20 HIS 0.22 -0.03 1 21 MET 0.05 0.00 1 22 SER -0.15 0.00 1 23 ASN -0.08 -0.03 1 24 LYS 0.05 -0.02 1 26 SER -0.43 -0.03 1 27 LYS -0.00 0.00 1 29 LYS 0.31 0.01 1 30 THR -0.32 -0.02 1 31 ASN 0.17 -0.03 1 32 MET 0.12 -0.05 1 33 LYS 0.23 -0.08 1 34 HIS -0.02 -0.05 1 35 VAL -0.18 -0.03 1 36 ALA -0.03 -0.03 1 38 ALA -0.22 -0.04 1 39 ALA -0.02 -0.04 1 40 ALA -0.20 -0.05 1 41 ALA 0.18 -0.05 1 43 ALA -0.54 0.02 1 44 VAL 0.14 -0.01 1 45 VAL 0.46 -0.03 1 48 LEU -0.07 -0.01 1 51 TYR -1.09 -0.09 1 52 MET -3.36 0.04 1 53 LEU -2.90 0.15 1 55 SER -0.08 0.00 1 56 VAL 2.44 -0.06 1 57 MET -5.85 0.32 1 58 SER 1.11 -0.14 1 61 LEU 1.38 0.23 1 62 ILE -2.86 -0.21 1 63 HIS -1.07 0.17 1 64 PHE 1.80 -0.43 1 66 ASN -3.14 0.12 1 67 ASP 3.60 -0.22 1 68 TYR 4.96 -0.34 1 69 GLU 3.71 -0.83 1 70 ASP 4.49 0.01 1 71 ARG 4.54 -0.36 1 72 TYR 4.40 -0.70 1 73 TYR 3.67 -0.29 1 74 ARG 5.02 -0.63 1 75 GLU 1.29 -0.27 1 76 ASN -0.73 -0.13 1 77 MET 4.95 -0.88 1 78 TYR 3.53 -0.34 1 79 ARG 0.60 -0.29 1 80 TYR 0.74 0.22 1 82 ASN -0.40 0.00 1 83 GLN -6.09 0.16 1 84 VAL -4.46 0.75 1 85 TYR -3.78 1.02 1 86 TYR -3.55 0.23 1 87 ARG -0.29 -0.04 1 89 VAL 3.23 0.14 1 93 SER 0.63 0.11 1 94 ASN -2.15 -0.02 1 96 ASN 4.61 -0.53 1 97 ASN 3.77 -0.19 1 99 VAL 6.32 -0.68 1 100 HIS 4.95 -0.43 1 101 ASP 3.15 -0.10 1 103 VAL 5.25 -0.51 1 104 ASN 3.53 -0.46 1 105 ILE 2.17 -0.38 1 106 THR 8.14 -0.34 1 107 VAL 5.43 -0.35 1 108 LYS 1.60 -0.08 1 109 GLN 0.42 -0.11 1 111 GLU -1.43 -0.03 1 112 ASN 1.80 -0.25 1 113 PHE -1.29 0.63 1 114 THR -3.30 0.23 1 115 GLU 3.87 -0.31 1 116 THR 5.35 -0.54 1 117 ASP 2.89 -0.16 1 118 ILE 4.98 -0.71 1 119 LYS 3.81 -0.27 1 120 ILE 3.90 -0.41 1 121 MET 3.53 -0.72 1 122 GLU 5.11 -0.68 1 123 ARG 2.86 -0.14 1 124 VAL 4.21 -0.65 1 125 VAL 5.64 -0.44 1 126 GLU 5.09 -0.80 1 127 GLN 4.62 -0.38 1 128 MET 2.66 -0.34 1 130 ILE 6.44 -0.67 1 131 THR 7.06 -0.45 1 132 GLN 4.22 -0.72 1 134 GLN 5.31 -0.63 1 135 ARG 3.65 -0.39 1 136 GLU 1.15 -0.34 1 137 SER 3.84 -0.52 1 138 GLN 3.33 -0.22 1 139 ALA 2.02 -0.17 1 140 TYR 2.07 -0.34 1 141 TYR 1.69 -0.19 1 142 GLN 1.09 -0.13 1 143 ARG 0.85 -0.10 1 145 ALA -0.45 0.02 1 146 SER 0.54 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 -2.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 8.14 _LACS_plot.Line_2_terminator_val_y_2 2.66 _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 90 ASP 1.41 -2.92 0 11 SER -0.20 -0.19 1 12 SER 0.20 0.21 1 14 LEU -0.11 -0.48 1 17 ARG 0.39 0.67 1 19 SER -0.10 -0.22 1 20 HIS 0.22 0.44 1 21 MET 0.05 -0.31 1 22 SER -0.15 -0.53 1 23 ASN -0.08 -0.48 1 26 SER -0.43 -0.52 1 29 LYS 0.31 0.18 1 30 THR -0.32 -0.79 1 31 ASN 0.17 -0.21 1 32 MET 0.12 -0.34 1 33 LYS 0.23 -0.48 1 34 HIS -0.02 0.22 1 35 VAL -0.18 -0.84 1 36 ALA -0.03 0.21 1 38 ALA -0.22 -0.18 1 39 ALA -0.02 -0.25 1 40 ALA -0.20 -0.31 1 41 ALA 0.18 0.37 1 43 ALA -0.54 -0.27 1 44 VAL 0.14 0.01 1 45 VAL 0.46 0.32 1 48 LEU -0.07 0.36 1 51 TYR -1.09 -0.40 1 52 MET -3.36 -3.39 1 53 LEU -2.90 0.62 1 55 SER -0.08 0.82 1 56 VAL 2.44 -0.35 1 57 MET -5.85 -1.01 1 58 SER 1.11 -0.26 1 61 LEU 1.38 -1.65 1 62 ILE -2.86 -2.71 1 63 HIS -1.07 0.47 1 64 PHE 1.80 1.17 1 66 ASN -3.14 -0.98 1 67 ASP 3.60 1.32 1 68 TYR 4.96 2.09 1 69 GLU 3.71 1.15 1 70 ASP 4.49 2.67 1 71 ARG 4.54 1.29 1 72 TYR 4.40 3.67 1 73 TYR 3.67 0.63 1 74 ARG 5.02 2.91 1 75 GLU 1.29 0.87 1 76 ASN -0.73 -0.22 1 77 MET 4.95 0.00 1 78 TYR 3.53 0.04 1 79 ARG 0.60 0.26 1 82 ASN -0.40 -2.39 1 83 GLN -6.09 -1.25 1 84 VAL -4.46 -2.36 1 85 TYR -3.78 -1.33 1 94 ASN -2.15 -1.30 1 96 ASN 4.61 2.67 1 99 VAL 6.32 0.49 1 100 HIS 4.95 2.88 1 101 ASP 3.15 -0.27 1 103 VAL 5.25 0.68 1 104 ASN 3.53 2.43 1 105 ILE 2.17 1.05 1 106 THR 8.14 2.47 1 107 VAL 5.43 0.85 1 108 LYS 1.60 0.27 1 109 GLN 0.42 0.51 1 111 GLU -1.43 -1.25 1 112 ASN 1.80 -0.65 1 113 PHE -1.29 1.09 1 114 THR -3.30 0.43 1 115 GLU 3.87 2.11 1 116 THR 5.35 0.46 1 117 ASP 2.89 1.22 1 118 ILE 4.98 0.69 1 119 LYS 3.81 3.18 1 120 ILE 3.90 1.47 1 121 MET 3.53 1.62 1 122 GLU 5.11 1.63 1 123 ARG 2.86 2.78 1 124 VAL 4.21 1.46 1 125 VAL 5.64 1.23 1 126 GLU 5.09 0.94 1 127 GLN 4.62 2.90 1 128 MET 2.66 2.01 1 130 ILE 6.44 1.59 1 131 THR 7.06 2.01 1 132 GLN 4.22 1.17 1 133 TYR 5.98 2.28 1 134 GLN 5.31 2.66 1 135 ARG 3.65 3.27 1 136 GLU 1.15 2.29 1 137 SER 3.84 1.02 1 138 GLN 3.33 1.26 1 139 ALA 2.02 0.91 1 140 TYR 2.07 0.90 1 141 TYR 1.69 0.45 1 142 GLN 1.09 0.05 1 143 ARG 0.85 0.59 1 145 ALA -0.45 -0.93 1 stop_ save_