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 bmr6901_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 8.11 _LACS_plot.Line_2_terminator_val_y_2 6.40 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ILE 4.53 0.55 0 12 SER 0.58 0.54 1 14 LEU -0.01 0.03 1 15 VAL -0.16 -0.07 1 17 ARG 0.38 0.33 1 20 HIS -0.09 1.53 1 21 MET 0.44 0.27 1 22 MET -0.01 0.05 1 23 ALA -0.11 0.10 1 24 GLU -0.09 0.24 1 27 ALA -0.37 0.12 1 28 ALA -1.49 -0.88 1 29 ASP -0.10 -0.36 1 30 LEU 5.46 3.52 1 31 ASP 3.54 3.35 1 32 THR 6.64 4.75 1 33 GLN 4.95 4.11 1 34 ARG 5.26 4.29 1 35 SER 3.97 3.32 1 36 ASP 3.74 3.54 1 38 ALA 4.73 4.05 1 39 THR 5.62 4.85 1 40 LEU 2.85 2.72 1 41 LEU 2.44 2.47 1 42 LYS 0.69 0.09 1 43 THR 1.33 1.97 1 44 SER 0.68 0.77 1 45 LEU 0.96 0.76 1 46 ARG -1.94 -0.95 1 47 LYS 2.37 1.67 1 49 ASP -0.88 -0.12 1 50 THR 1.44 1.70 1 51 TRP -3.93 -1.62 1 52 TYR -3.35 -0.65 1 53 LEU 0.67 2.02 1 54 VAL -3.82 -1.74 1 55 ASP -0.42 1.92 1 56 SER 3.91 3.41 1 57 ARG 5.27 4.09 1 58 TRP 5.07 4.95 1 59 PHE 4.22 5.00 1 60 LYS 4.67 4.09 1 61 GLN 3.84 2.82 1 62 TRP 8.11 5.43 1 63 LYS 4.46 4.47 1 64 LYS 3.50 3.34 1 65 TYR 3.60 3.47 1 66 VAL -0.03 -1.89 1 68 PHE 2.37 4.26 1 69 ASP -1.11 -1.33 1 70 SER 3.89 2.85 1 71 TRP 1.02 -0.35 1 72 ASP -1.42 -0.95 1 73 LYS 0.81 0.37 1 74 TYR 3.05 2.25 1 75 GLN -1.25 -0.55 1 76 MET 1.13 1.22 1 78 ASP -1.21 0.03 1 79 GLN 3.84 2.77 1 80 ASN 2.85 2.56 1 81 VAL -1.08 -2.25 1 82 TYR 0.16 0.41 1 86 ILE 3.79 3.01 1 87 ASP -3.71 -2.18 1 88 ASN -0.77 -0.53 1 89 SER 5.55 4.31 1 91 LEU 0.01 -0.38 1 92 LEU -2.25 -1.11 1 93 LYS 0.45 0.72 1 94 ASP 1.28 1.08 1 96 ASP -0.90 -0.07 1 97 ALA 0.62 0.66 1 98 GLN 0.65 0.49 1 99 SER -1.77 -0.94 1 100 LEU -0.78 -0.09 1 101 LYS 1.18 1.75 1 102 GLU 0.76 1.06 1 103 HIS 1.31 1.04 1 104 LEU -2.05 -0.52 1 105 ILE -1.66 -0.83 1 106 ASP 1.78 1.60 1 107 GLU 5.66 4.33 1 108 LEU 1.48 1.80 1 109 ASP -0.98 1.95 1 110 TYR -4.91 -2.61 1 111 ILE -5.66 -3.27 1 112 LEU -3.82 -1.54 1 113 LEU -6.84 -2.44 1 115 THR 6.98 6.61 1 116 GLU 3.15 3.19 1 118 TRP 2.22 2.26 1 119 ASN 4.05 2.20 1 120 LYS 4.76 3.48 1 121 LEU 4.21 3.58 1 122 VAL 5.89 4.24 1 123 SER 4.60 3.29 1 124 TRP -1.90 -0.26 1 125 TYR 1.05 2.99 1 126 THR 2.46 3.06 1 127 LEU -4.17 -1.66 1 128 MET 1.80 1.36 1 129 GLU 1.70 1.66 1 131 GLN -2.20 -0.65 1 132 GLU -2.54 -0.77 1 134 ILE 0.23 -0.47 1 135 ALA -4.28 -2.27 1 136 ARG -3.55 -1.27 1 137 LYS -0.61 -0.60 1 138 VAL 1.32 0.61 1 139 VAL -1.16 -0.58 1 140 GLU -1.04 -0.07 1 141 GLN 0.41 1.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6901_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 3.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 8.11 _LACS_plot.Line_2_terminator_val_y_2 -1.71 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ILE 4.53 -3.98 0 12 SER 0.58 -0.04 1 14 LEU -0.01 0.04 1 15 VAL -0.16 0.09 1 17 ARG 0.38 -0.05 1 20 HIS -0.09 1.62 1 21 MET 0.44 -0.17 1 22 MET -0.01 0.06 1 23 ALA -0.11 0.21 1 24 GLU -0.09 0.33 1 27 ALA -0.37 0.49 1 28 ALA -1.49 0.61 1 29 ASP -0.10 -0.26 1 30 LEU 5.46 -1.94 1 31 ASP 3.54 -0.19 1 32 THR 6.64 -1.89 1 33 GLN 4.95 -0.84 1 34 ARG 5.26 -0.97 1 35 SER 3.97 -0.65 1 36 ASP 3.74 -0.20 1 38 ALA 4.73 -0.68 1 39 THR 5.62 -0.77 1 40 LEU 2.85 -0.13 1 41 LEU 2.44 0.03 1 42 LYS 0.69 -0.60 1 43 THR 1.33 0.64 1 44 SER 0.68 0.09 1 45 LEU 0.96 -0.20 1 46 ARG -1.94 0.99 1 47 LYS 2.37 -0.70 1 49 ASP -0.88 0.76 1 50 THR 1.44 0.26 1 51 TRP -3.93 2.31 1 52 TYR -3.35 2.70 1 53 LEU 0.67 1.35 1 54 VAL -3.82 2.08 1 55 ASP -0.42 2.34 1 56 SER 3.91 -0.50 1 57 ARG 5.27 -1.18 1 58 TRP 5.07 -0.12 1 59 PHE 4.22 0.78 1 60 LYS 4.67 -0.58 1 61 GLN 3.84 -1.02 1 62 TRP 8.11 -2.68 1 63 LYS 4.46 0.01 1 64 LYS 3.50 -0.16 1 65 TYR 3.60 -0.13 1 66 VAL -0.03 -1.86 1 68 PHE 2.37 1.89 1 69 ASP -1.11 -0.22 1 70 SER 3.89 -1.04 1 71 TRP 1.02 -1.37 1 72 ASP -1.42 0.47 1 73 LYS 0.81 -0.44 1 74 TYR 3.05 -0.80 1 75 GLN -1.25 0.70 1 76 MET 1.13 0.09 1 78 ASP -1.21 1.24 1 79 GLN 3.84 -1.07 1 80 ASN 2.85 -0.29 1 81 VAL -1.08 -1.17 1 82 TYR 0.16 0.25 1 86 ILE 3.79 -0.78 1 87 ASP -3.71 1.53 1 88 ASN -0.77 0.24 1 89 SER 5.55 -1.24 1 91 LEU 0.01 -0.39 1 92 LEU -2.25 1.14 1 93 LYS 0.45 0.27 1 94 ASP 1.28 -0.20 1 96 ASP -0.90 0.83 1 97 ALA 0.62 0.04 1 98 GLN 0.65 -0.16 1 99 SER -1.77 0.83 1 100 LEU -0.78 0.69 1 101 LYS 1.18 0.57 1 102 GLU 0.76 0.30 1 103 HIS 1.31 -0.27 1 104 LEU -2.05 1.53 1 105 ILE -1.66 0.83 1 106 ASP 1.78 -0.18 1 107 GLU 5.66 -1.33 1 108 LEU 1.48 0.32 1 109 ASP -0.98 2.93 1 110 TYR -4.91 2.30 1 111 ILE -5.66 2.39 1 112 LEU -3.82 2.28 1 113 LEU -6.84 4.40 1 115 THR 6.98 -0.37 1 116 GLU 3.15 0.04 1 118 TRP 2.22 0.04 1 119 ASN 4.05 -1.85 1 120 LYS 4.76 -1.28 1 121 LEU 4.21 -0.63 1 122 VAL 5.89 -1.65 1 123 SER 4.60 -1.31 1 124 TRP -1.90 1.64 1 125 TYR 1.05 1.94 1 126 THR 2.46 0.60 1 127 LEU -4.17 2.51 1 128 MET 1.80 -0.44 1 129 GLU 1.70 -0.04 1 131 GLN -2.20 1.55 1 132 GLU -2.54 1.77 1 134 ILE 0.23 -0.70 1 135 ALA -4.28 2.01 1 136 ARG -3.55 2.28 1 137 LYS -0.61 0.01 1 138 VAL 1.32 -0.71 1 139 VAL -1.16 0.58 1 140 GLU -1.04 0.97 1 141 GLN 0.41 1.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6901_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 0.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _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 8.11 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _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 86 ILE 3.79 -2.84 0 12 SER 0.58 -0.06 1 14 LEU -0.01 -0.02 1 15 VAL -0.16 -0.11 1 17 ARG 0.38 -0.09 1 20 HIS -0.09 -0.15 1 21 MET 0.44 -0.13 1 22 MET -0.01 -0.12 1 23 ALA -0.11 -0.05 1 24 GLU -0.09 -0.12 1 27 ALA -0.37 -0.07 1 28 ALA -1.49 -0.12 1 29 ASP -0.10 -0.26 1 30 LEU 5.46 -0.84 1 31 ASP 3.54 -0.43 1 32 THR 6.64 -0.48 1 33 GLN 4.95 -0.38 1 34 ARG 5.26 -0.20 1 35 SER 3.97 -0.29 1 36 ASP 3.74 -0.14 1 37 ILE 4.53 -0.08 1 38 ALA 4.73 0.12 1 39 THR 5.62 -0.35 1 40 LEU 2.85 -0.21 1 41 LEU 2.44 -0.01 1 42 LYS 0.69 0.21 1 43 THR 1.33 -0.11 1 44 SER 0.68 0.01 1 45 LEU 0.96 -0.17 1 46 ARG -1.94 0.09 1 47 LYS 2.37 -0.45 1 49 ASP -0.88 0.16 1 50 THR 1.44 0.10 1 51 TRP -3.93 0.34 1 52 TYR -3.35 0.18 1 53 LEU 0.67 0.32 1 54 VAL -3.82 0.51 1 55 ASP -0.42 -0.10 1 56 SER 3.91 -0.29 1 57 ARG 5.27 -0.28 1 58 TRP 5.07 -0.59 1 59 PHE 4.22 -0.43 1 60 LYS 4.67 -0.58 1 61 GLN 3.84 -0.34 1 62 TRP 8.11 -1.46 1 63 LYS 4.46 -1.44 1 64 LYS 3.50 -0.61 1 65 TYR 3.60 -0.59 1 66 VAL -0.03 -0.19 1 68 PHE 2.37 -1.32 1 69 ASP -1.11 -0.26 1 70 SER 3.89 -0.73 1 71 TRP 1.02 0.00 1 72 ASP -1.42 0.24 1 73 LYS 0.81 -0.09 1 74 TYR 3.05 -0.33 1 75 GLN -1.25 0.02 1 76 MET 1.13 -0.49 1 78 ASP -1.21 -0.13 1 79 GLN 3.84 -0.28 1 80 ASN 2.85 -0.24 1 81 VAL -1.08 0.23 1 82 TYR 0.16 -1.57 1 87 ASP -3.71 0.25 1 88 ASN -0.77 0.62 1 89 SER 5.55 -0.60 1 91 LEU 0.01 0.01 1 92 LEU -2.25 0.31 1 93 LYS 0.45 -0.27 1 94 ASP 1.28 -0.22 1 96 ASP -0.90 -0.04 1 97 ALA 0.62 -0.10 1 98 GLN 0.65 -0.12 1 99 SER -1.77 0.05 1 100 LEU -0.78 0.04 1 101 LYS 1.18 -0.45 1 102 GLU 0.76 -0.41 1 103 HIS 1.31 -0.23 1 104 LEU -2.05 0.09 1 105 ILE -1.66 0.08 1 106 ASP 1.78 -1.56 1 107 GLU 5.66 -0.73 1 108 LEU 1.48 -0.09 1 109 ASP -0.98 0.15 1 110 TYR -4.91 0.84 1 111 ILE -5.66 0.40 1 112 LEU -3.82 0.91 1 113 LEU -6.84 0.36 1 115 THR 6.98 -0.51 1 116 GLU 3.15 -0.42 1 118 TRP 2.22 -0.84 1 119 ASN 4.05 -1.03 1 120 LYS 4.76 -1.30 1 121 LEU 4.21 -0.50 1 122 VAL 5.89 -1.40 1 123 SER 4.60 -0.53 1 124 TRP -1.90 -0.02 1 125 TYR 1.05 -0.09 1 126 THR 2.46 -0.15 1 127 LEU -4.17 0.03 1 128 MET 1.80 -0.57 1 129 GLU 1.70 -0.35 1 131 GLN -2.20 0.27 1 132 GLU -2.54 0.20 1 134 ILE 0.23 -0.24 1 135 ALA -4.28 -0.17 1 136 ARG -3.55 -0.08 1 137 LYS -0.61 0.28 1 138 VAL 1.32 -0.27 1 139 VAL -1.16 0.03 1 140 GLU -1.04 -0.13 1 141 GLN 0.41 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6901_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.66 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 8.11 _LACS_plot.Line_2_terminator_val_y_2 2.77 _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 126 THR 2.46 -4.43 0 12 SER 0.58 0.38 1 14 LEU -0.01 -0.55 1 20 HIS -0.09 1.18 1 21 MET 0.44 -0.28 1 22 MET -0.01 -0.43 1 23 ALA -0.11 -0.03 1 24 GLU -0.09 0.64 1 27 ALA -0.37 -0.78 1 28 ALA -1.49 -0.70 1 29 ASP -0.10 -0.21 1 30 LEU 5.46 0.77 1 31 ASP 3.54 2.50 1 32 THR 6.64 0.89 1 33 GLN 4.95 2.29 1 34 ARG 5.26 1.27 1 35 SER 3.97 3.32 1 36 ASP 3.74 3.54 1 37 ILE 4.53 1.46 1 38 ALA 4.73 3.37 1 39 THR 5.62 2.67 1 40 LEU 2.85 2.22 1 41 LEU 2.44 0.26 1 42 LYS 0.69 0.18 1 43 THR 1.33 -0.80 1 44 SER 0.68 -0.03 1 45 LEU 0.96 -0.94 1 46 ARG -1.94 -0.97 1 47 LYS 2.37 0.57 1 49 ASP -0.88 -0.87 1 50 THR 1.44 -1.72 1 51 TRP -3.93 -2.62 1 52 TYR -3.35 -0.67 1 53 LEU 0.67 -0.51 1 54 VAL -3.82 -1.31 1 55 ASP -0.42 1.94 1 56 SER 3.91 1.68 1 57 ARG 5.27 3.06 1 58 TRP 5.07 2.08 1 59 PHE 4.22 1.39 1 60 LYS 4.67 2.39 1 61 GLN 3.84 1.16 1 62 TRP 8.11 0.47 1 63 LYS 4.46 3.11 1 64 LYS 3.50 1.57 1 65 TYR 3.60 0.70 1 66 VAL -0.03 -0.70 1 68 PHE 2.37 -0.33 1 69 ASP -1.11 0.93 1 70 SER 3.89 0.07 1 71 TRP 1.02 -0.72 1 72 ASP -1.42 -0.47 1 73 LYS 0.81 1.21 1 74 TYR 3.05 0.53 1 75 GLN -1.25 -2.47 1 76 MET 1.13 2.01 1 78 ASP -1.21 1.45 1 79 GLN 3.84 1.90 1 80 ASN 2.85 1.39 1 81 VAL -1.08 -2.73 1 86 ILE 3.79 -1.73 1 87 ASP -3.71 -0.29 1 88 ASN -0.77 2.18 1 89 SER 5.55 2.36 1 91 LEU 0.01 -1.65 1 92 LEU -2.25 -0.26 1 93 LYS 0.45 0.14 1 94 ASP 1.28 0.49 1 96 ASP -0.90 -0.83 1 97 ALA 0.62 -0.46 1 98 GLN 0.65 -0.24 1 99 SER -1.77 -1.83 1 100 LEU -0.78 0.54 1 101 LYS 1.18 -0.14 1 102 GLU 0.76 0.10 1 103 HIS 1.31 0.69 1 105 ILE -1.66 -0.88 1 106 ASP 1.78 0.49 1 107 GLU 5.66 0.45 1 108 LEU 1.48 0.77 1 109 ASP -0.98 -0.43 1 110 TYR -4.91 -4.13 1 111 ILE -5.66 -1.66 1 112 LEU -3.82 -1.31 1 115 THR 6.98 0.40 1 116 GLU 3.15 2.69 1 118 TRP 2.22 -0.66 1 119 ASN 4.05 3.77 1 120 LYS 4.76 0.02 1 121 LEU 4.21 1.67 1 122 VAL 5.89 3.22 1 123 SER 4.60 1.14 1 124 TRP -1.90 1.65 1 125 TYR 1.05 1.92 1 127 LEU -4.17 -1.81 1 128 MET 1.80 -1.03 1 129 GLU 1.70 0.60 1 131 GLN -2.20 -1.34 1 134 ILE 0.23 -3.83 1 135 ALA -4.28 0.04 1 136 ARG -3.55 -1.83 1 137 LYS -0.61 -0.03 1 138 VAL 1.32 -0.08 1 139 VAL -1.16 -1.01 1 140 GLU -1.04 -1.53 1 141 GLN 0.41 4.27 1 stop_ save_