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 bmr10036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -3.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 5.60 _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 37 MET -6.51 -1.34 0 50 LYS 5.93 1.22 0 10 ALA -0.47 -0.09 1 11 SER -0.39 0.00 1 12 THR -0.02 0.02 1 13 ASP -0.78 -0.07 1 14 ILE 0.65 0.26 1 15 ALA 2.07 1.30 1 17 LEU 3.74 3.98 1 18 GLU 4.11 3.16 1 19 GLU 3.54 2.86 1 20 SER 7.04 6.60 1 21 PHE 5.82 4.79 1 22 ARG 4.31 3.59 1 23 LYS 3.48 3.71 1 24 PHE 4.19 4.66 1 25 ALA 5.11 3.66 1 26 ILE 1.72 0.77 1 27 HIS 3.54 4.28 1 29 ASP -2.42 -1.21 1 31 LYS 0.22 -0.68 1 32 ALA -0.53 -0.01 1 33 SER 0.15 0.90 1 35 GLN -0.40 0.50 1 36 GLU -5.41 -2.14 1 38 ASN -0.85 -1.14 1 40 LYS 3.83 2.88 1 41 ASN 3.83 2.65 1 42 TRP 1.28 2.36 1 43 ALA 3.89 2.72 1 44 LYS 3.82 3.32 1 45 LEU 5.88 4.67 1 47 LYS 3.32 3.16 1 48 ASP 4.57 3.58 1 51 VAL 5.41 4.52 1 52 ALA -0.38 -2.34 1 53 ASP 0.29 -0.24 1 55 LYS -0.14 1.11 1 56 ALA 1.47 1.90 1 57 VAL -3.23 -1.23 1 58 THR -5.15 -2.43 1 60 THR 5.51 4.51 1 61 ASP 3.42 3.90 1 62 VAL 5.38 4.29 1 63 ASP 4.31 3.46 1 64 ILE 4.81 3.94 1 65 VAL 5.86 4.44 1 66 PHE 5.05 4.73 1 67 SER 3.36 3.05 1 68 LYS 1.84 2.40 1 69 VAL 1.18 0.45 1 70 LYS -2.13 -1.49 1 71 ALA 0.14 -0.26 1 72 LYS 3.94 3.04 1 73 SER 0.63 0.28 1 74 ALA -4.12 -0.90 1 75 ARG -1.46 -0.77 1 76 VAL -7.96 -3.88 1 77 ILE -4.54 -1.85 1 78 ASN -3.16 -2.62 1 79 TYR 3.00 2.71 1 80 GLU 4.36 3.39 1 81 GLU 3.11 2.38 1 82 PHE 3.19 2.70 1 83 LYS 6.76 5.41 1 84 LYS 4.50 2.78 1 85 ALA 3.50 2.41 1 86 LEU 4.15 2.78 1 87 GLU 4.03 3.78 1 88 GLU 2.94 2.38 1 89 LEU -0.09 1.21 1 90 ALA 6.30 5.00 1 91 THR 3.12 1.99 1 92 LYS 1.29 1.81 1 93 ARG -0.38 -0.33 1 94 PHE -0.56 -1.24 1 95 LYS 2.04 1.75 1 97 LYS -3.47 -1.22 1 98 SER -1.14 -0.39 1 99 LYS 5.75 4.66 1 100 GLU 5.14 3.97 1 101 GLU 1.63 2.24 1 102 ALA 3.43 2.53 1 103 PHE 4.03 3.09 1 104 ASP 4.31 3.86 1 105 ALA 5.70 2.49 1 106 ILE 4.78 4.37 1 108 GLN 3.62 2.51 1 109 LEU 3.07 2.12 1 110 ILE -1.95 1.05 1 111 ALA 3.01 2.37 1 113 LYS -0.93 -0.57 1 114 GLU -2.54 -0.96 1 116 ALA -0.53 -0.21 1 117 ASN -0.41 -0.16 1 118 ILE 0.53 0.32 1 120 VAL 0.15 0.11 1 121 THR 0.04 0.10 1 122 LYS -0.12 -0.01 1 123 ALA -0.27 -0.03 1 124 LYS 0.15 0.12 1 125 THR -0.24 -0.04 1 128 ALA -0.17 0.10 1 129 VAL 0.27 0.18 1 130 ASP -0.10 0.15 1 131 ARG 0.43 0.24 1 132 LEU 0.62 0.46 1 133 THR 0.22 0.29 1 134 ASP 0.10 0.13 1 135 THR 1.04 0.56 1 136 SER 1.21 1.22 1 137 LYS 0.68 0.39 1 138 TYR 0.12 0.01 1 139 THR 0.03 -0.04 1 141 SER 0.01 0.13 1 142 HIS 0.59 0.99 1 143 LYS 0.30 0.29 1 144 GLU -0.08 0.09 1 145 ARG 0.25 0.16 1 146 SER -0.38 -0.01 1 149 SER -0.15 0.14 1 150 SER -0.20 0.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 4.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _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 37 MET -6.51 5.17 0 50 LYS 5.93 -4.71 0 10 ALA -0.47 0.38 1 11 SER -0.39 0.39 1 12 THR -0.02 0.04 1 13 ASP -0.78 0.71 1 14 ILE 0.65 -0.39 1 15 ALA 2.07 -0.77 1 17 LEU 3.74 0.24 1 18 GLU 4.11 -0.95 1 19 GLU 3.54 -0.68 1 20 SER 7.04 -0.44 1 21 PHE 5.82 -1.03 1 22 ARG 4.31 -0.72 1 23 LYS 3.48 0.23 1 24 PHE 4.19 0.47 1 25 ALA 5.11 -1.45 1 26 ILE 1.72 -0.95 1 27 HIS 3.54 0.74 1 29 ASP -2.42 1.21 1 31 LYS 0.22 -0.90 1 32 ALA -0.53 0.52 1 33 SER 0.15 0.75 1 35 GLN -0.40 0.90 1 36 GLU -5.41 3.27 1 38 ASN -0.85 -0.29 1 40 LYS 3.83 -0.95 1 41 ASN 3.83 -1.18 1 42 TRP 1.28 1.08 1 43 ALA 3.89 -1.17 1 44 LYS 3.82 -0.50 1 45 LEU 5.88 -1.21 1 47 LYS 3.32 -0.16 1 48 ASP 4.57 -0.99 1 51 VAL 5.41 -0.89 1 52 ALA -0.38 -1.96 1 53 ASP 0.29 -0.53 1 55 LYS -0.14 1.25 1 56 ALA 1.47 0.43 1 57 VAL -3.23 2.00 1 58 THR -5.15 2.72 1 60 THR 5.51 -1.00 1 61 ASP 3.42 0.48 1 62 VAL 5.38 -1.09 1 63 ASP 4.31 -0.85 1 64 ILE 4.81 -0.87 1 65 VAL 5.86 -1.42 1 66 PHE 5.05 -0.32 1 67 SER 3.36 -0.31 1 68 LYS 1.84 0.56 1 69 VAL 1.18 -0.73 1 70 LYS -2.13 0.64 1 71 ALA 0.14 -0.40 1 72 LYS 3.94 -0.90 1 73 SER 0.63 -0.35 1 74 ALA -4.12 3.22 1 75 ARG -1.46 0.69 1 76 VAL -7.96 4.08 1 77 ILE -4.54 2.69 1 78 ASN -3.16 0.54 1 79 TYR 3.00 -0.29 1 80 GLU 4.36 -0.97 1 81 GLU 3.11 -0.73 1 82 PHE 3.19 -0.49 1 83 LYS 6.76 -1.35 1 84 LYS 4.50 -1.72 1 85 ALA 3.50 -1.09 1 86 LEU 4.15 -1.37 1 87 GLU 4.03 -0.25 1 88 GLU 2.94 -0.56 1 89 LEU -0.09 1.30 1 90 ALA 6.30 -1.30 1 91 THR 3.12 -1.13 1 92 LYS 1.29 0.52 1 93 ARG -0.38 0.05 1 94 PHE -0.56 -0.68 1 95 LYS 2.04 -0.29 1 97 LYS -3.47 2.25 1 98 SER -1.14 0.75 1 99 LYS 5.75 -1.09 1 100 GLU 5.14 -1.17 1 101 GLU 1.63 0.61 1 102 ALA 3.43 -0.90 1 103 PHE 4.03 -0.94 1 104 ASP 4.31 -0.45 1 105 ALA 5.70 -3.21 1 106 ILE 4.78 -0.41 1 108 GLN 3.62 -1.11 1 109 LEU 3.07 -0.95 1 110 ILE -1.95 3.00 1 111 ALA 3.01 -0.64 1 113 LYS -0.93 0.36 1 114 GLU -2.54 1.58 1 116 ALA -0.53 0.32 1 117 ASN -0.41 0.25 1 118 ILE 0.53 -0.21 1 120 VAL 0.15 -0.04 1 121 THR 0.04 0.06 1 122 LYS -0.12 0.11 1 123 ALA -0.27 0.24 1 124 LYS 0.15 -0.03 1 125 THR -0.24 0.20 1 128 ALA -0.17 0.27 1 129 VAL 0.27 -0.09 1 130 ASP -0.10 0.25 1 131 ARG 0.43 -0.19 1 132 LEU 0.62 -0.16 1 133 THR 0.22 0.07 1 134 ASP 0.10 0.03 1 135 THR 1.04 -0.48 1 136 SER 1.21 0.01 1 137 LYS 0.68 -0.29 1 138 TYR 0.12 -0.11 1 139 THR 0.03 -0.07 1 141 SER 0.01 0.12 1 142 HIS 0.59 0.40 1 143 LYS 0.30 -0.01 1 144 GLU -0.08 0.17 1 145 ARG 0.25 -0.09 1 146 SER -0.38 0.37 1 149 SER -0.15 0.29 1 150 SER -0.20 0.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 79 TYR 3.00 -1.33 0 10 ALA -0.47 0.03 1 11 SER -0.39 0.05 1 12 THR -0.02 0.05 1 13 ASP -0.78 0.16 1 14 ILE 0.65 -0.08 1 15 ALA 2.07 -0.04 1 17 LEU 3.74 -0.09 1 18 GLU 4.11 -0.61 1 19 GLU 3.54 -0.18 1 20 SER 7.04 -0.04 1 21 PHE 5.82 -0.99 1 22 ARG 4.31 -0.42 1 23 LYS 3.48 -0.47 1 24 PHE 4.19 -0.54 1 25 ALA 5.11 -0.53 1 26 ILE 1.72 0.01 1 27 HIS 3.54 -0.65 1 29 ASP -2.42 0.19 1 31 LYS 0.22 0.07 1 32 ALA -0.53 -0.03 1 33 SER 0.15 -0.11 1 35 GLN -0.40 0.14 1 36 GLU -5.41 0.82 1 37 MET -6.51 0.48 1 38 ASN -0.85 0.58 1 40 LYS 3.83 -0.19 1 41 ASN 3.83 0.14 1 42 TRP 1.28 0.49 1 43 ALA 3.89 -0.82 1 44 LYS 3.82 -0.30 1 45 LEU 5.88 -1.30 1 47 LYS 3.32 -0.20 1 48 ASP 4.57 -0.32 1 50 LYS 5.93 -0.61 1 51 VAL 5.41 -0.91 1 52 ALA -0.38 -0.12 1 53 ASP 0.29 -0.29 1 55 LYS -0.14 0.05 1 56 ALA 1.47 -0.04 1 57 VAL -3.23 0.34 1 58 THR -5.15 0.35 1 60 THR 5.51 -0.25 1 61 ASP 3.42 -0.27 1 62 VAL 5.38 -0.25 1 63 ASP 4.31 0.05 1 64 ILE 4.81 -0.29 1 65 VAL 5.86 -0.26 1 66 PHE 5.05 -1.16 1 67 SER 3.36 -0.47 1 68 LYS 1.84 -0.14 1 69 VAL 1.18 0.01 1 70 LYS -2.13 -0.15 1 71 ALA 0.14 -0.04 1 72 LYS 3.94 -0.23 1 73 SER 0.63 -0.09 1 74 ALA -4.12 0.33 1 75 ARG -1.46 0.46 1 76 VAL -7.96 1.24 1 77 ILE -4.54 0.84 1 78 ASN -3.16 0.69 1 80 GLU 4.36 -0.68 1 81 GLU 3.11 -0.64 1 82 PHE 3.19 -0.69 1 83 LYS 6.76 -0.73 1 84 LYS 4.50 -0.32 1 85 ALA 3.50 -0.57 1 86 LEU 4.15 -0.32 1 87 GLU 4.03 -0.37 1 88 GLU 2.94 -0.23 1 89 LEU -0.09 -0.15 1 90 ALA 6.30 -0.36 1 91 THR 3.12 -0.27 1 92 LYS 1.29 -0.15 1 93 ARG -0.38 -0.54 1 94 PHE -0.56 0.20 1 95 LYS 2.04 -0.01 1 97 LYS -3.47 0.39 1 98 SER -1.14 -0.03 1 99 LYS 5.75 -0.43 1 100 GLU 5.14 -0.24 1 101 GLU 1.63 -0.25 1 102 ALA 3.43 -0.59 1 103 PHE 4.03 -0.37 1 104 ASP 4.31 -0.51 1 105 ALA 5.70 -0.57 1 106 ILE 4.78 0.06 1 108 GLN 3.62 -0.30 1 109 LEU 3.07 -0.17 1 110 ILE -1.95 -0.06 1 111 ALA 3.01 -0.44 1 113 LYS -0.93 0.33 1 114 GLU -2.54 -0.20 1 116 ALA -0.53 -0.07 1 117 ASN -0.41 0.05 1 118 ILE 0.53 0.03 1 120 VAL 0.15 0.07 1 121 THR 0.04 -0.01 1 122 LYS -0.12 0.02 1 123 ALA -0.27 -0.03 1 124 LYS 0.15 0.06 1 125 THR -0.24 0.04 1 128 ALA -0.17 0.04 1 129 VAL 0.27 -0.01 1 130 ASP -0.10 -0.05 1 131 ARG 0.43 -0.02 1 132 LEU 0.62 0.03 1 133 THR 0.22 -0.03 1 134 ASP 0.10 0.08 1 135 THR 1.04 -0.04 1 136 SER 1.21 -0.08 1 137 LYS 0.68 -0.05 1 138 TYR 0.12 0.14 1 139 THR 0.03 -0.01 1 141 SER 0.01 -0.04 1 142 HIS 0.59 -0.05 1 143 LYS 0.30 -0.05 1 144 GLU -0.08 -0.08 1 145 ARG 0.25 0.05 1 146 SER -0.38 0.05 1 149 SER -0.15 0.03 1 150 SER -0.20 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -2.71 _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 -0.56 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 2.64 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 VAL -7.96 -2.29 0 58 THR -5.15 1.31 0 10 ALA -0.47 0.10 1 11 SER -0.39 0.31 1 12 THR -0.02 -0.44 1 13 ASP -0.78 -0.20 1 14 ILE 0.65 -0.06 1 15 ALA 2.07 0.86 1 17 LEU 3.74 -0.17 1 18 GLU 4.11 2.16 1 19 GLU 3.54 2.65 1 20 SER 7.04 1.15 1 21 PHE 5.82 0.03 1 22 ARG 4.31 2.08 1 23 LYS 3.48 3.59 1 24 PHE 4.19 2.04 1 25 ALA 5.11 1.86 1 26 ILE 1.72 -0.33 1 27 HIS 3.54 2.83 1 31 LYS 0.22 0.08 1 32 ALA -0.53 0.06 1 33 SER 0.15 2.22 1 35 GLN -0.40 0.14 1 36 GLU -5.41 -2.68 1 37 MET -6.51 -1.53 1 38 ASN -0.85 -0.46 1 40 LYS 3.83 2.97 1 41 ASN 3.83 2.65 1 42 TRP 1.28 1.05 1 43 ALA 3.89 2.70 1 44 LYS 3.82 0.68 1 45 LEU 5.88 1.98 1 47 LYS 3.32 3.10 1 48 ASP 4.57 2.76 1 50 LYS 5.93 -0.29 1 51 VAL 5.41 -0.13 1 52 ALA -0.38 -1.82 1 53 ASP 0.29 0.79 1 55 LYS -0.14 -1.41 1 56 ALA 1.47 -0.01 1 57 VAL -3.23 -1.04 1 60 THR 5.51 1.32 1 61 ASP 3.42 2.70 1 62 VAL 5.38 2.61 1 63 ASP 4.31 3.26 1 64 ILE 4.81 3.39 1 65 VAL 5.86 0.36 1 66 PHE 5.05 -0.35 1 67 SER 3.36 0.51 1 68 LYS 1.84 1.94 1 69 VAL 1.18 -0.84 1 70 LYS -2.13 -1.23 1 71 ALA 0.14 1.83 1 72 LYS 3.94 1.61 1 73 SER 0.63 -0.67 1 74 ALA -4.12 -0.17 1 75 ARG -1.46 -1.30 1 77 ILE -4.54 -1.04 1 78 ASN -3.16 0.27 1 79 TYR 3.00 0.96 1 80 GLU 4.36 3.72 1 81 GLU 3.11 1.38 1 82 PHE 3.19 0.56 1 83 LYS 6.76 2.44 1 84 LYS 4.50 2.74 1 85 ALA 3.50 2.00 1 86 LEU 4.15 1.98 1 87 GLU 4.03 2.13 1 88 GLU 2.94 2.84 1 89 LEU -0.09 1.40 1 90 ALA 6.30 0.70 1 91 THR 3.12 0.87 1 94 PHE -0.56 -1.28 1 95 LYS 2.04 1.58 1 97 LYS -3.47 0.24 1 98 SER -1.14 -0.54 1 99 LYS 5.75 2.28 1 100 GLU 5.14 2.83 1 101 GLU 1.63 3.35 1 102 ALA 3.43 0.67 1 103 PHE 4.03 1.81 1 104 ASP 4.31 1.73 1 105 ALA 5.70 2.64 1 106 ILE 4.78 0.46 1 108 GLN 3.62 2.09 1 109 LEU 3.07 -0.43 1 110 ILE -1.95 -0.58 1 111 ALA 3.01 0.50 1 113 LYS -0.93 0.08 1 114 GLU -2.54 -2.13 1 116 ALA -0.53 0.00 1 117 ASN -0.41 0.01 1 118 ILE 0.53 0.34 1 120 VAL 0.15 0.21 1 121 THR 0.04 -0.36 1 122 LYS -0.12 -0.46 1 123 ALA -0.27 -0.02 1 124 LYS 0.15 0.31 1 125 THR -0.24 0.42 1 128 ALA -0.17 0.24 1 129 VAL 0.27 -0.30 1 130 ASP -0.10 -0.16 1 131 ARG 0.43 0.07 1 132 LEU 0.62 0.16 1 133 THR 0.22 -0.42 1 134 ASP 0.10 0.55 1 135 THR 1.04 0.72 1 136 SER 1.21 0.30 1 137 LYS 0.68 -0.26 1 138 TYR 0.12 0.42 1 139 THR 0.03 0.28 1 142 HIS 0.59 0.65 1 143 LYS 0.30 -0.16 1 144 GLU -0.08 -0.13 1 145 ARG 0.25 -0.08 1 146 SER -0.38 -0.10 1 149 SER -0.15 0.08 1 150 SER -0.20 -0.64 1 stop_ save_