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 bmr11135_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.11
_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 -1.55
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.90
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 2.50
_LACS_plot.Y_axis_chem_shift_offset 2.31
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 HIS 2.60 2.50 0
10 GLN 0.39 -2.06 1
11 LYS 0.53 -1.79 1
12 ASP 0.44 -2.07 1
13 LEU 0.54 -2.09 1
14 ALA 0.18 -2.10 1
15 ASN 0.30 -2.25 1
16 ILE -0.33 -3.32 1
17 ALA -4.98 -4.11 1
18 GLU -4.54 -3.76 1
19 VAL -5.04 -4.60 1
20 GLU -4.10 -4.55 1
21 VAL -4.29 -4.71 1
22 SER -0.33 -3.29 1
23 ILE -4.68 -3.57 1
25 ALA 2.78 -0.37 1
26 LYS 3.60 -0.30 1
27 LEU -1.13 -2.67 1
29 ASN 4.85 1.40 1
30 SER 3.15 0.19 1
31 LEU 1.74 -0.82 1
32 ILE 2.07 0.38 1
34 THR 3.36 0.23 1
35 LYS 2.71 -1.63 1
37 ARG 3.89 0.92 1
38 LEU 4.03 0.18 1
39 ILE 2.31 -1.27 1
40 ARG 5.03 1.47 1
41 SER 4.67 1.33 1
42 ILE 4.88 1.88 1
43 MET 4.56 2.85 1
44 GLU 2.55 0.13 1
45 GLU 1.33 -0.72 1
49 VAL 0.06 -2.98 1
50 HIS -2.95 -1.69 1
51 ILE -1.63 -2.90 1
52 HIS -3.44 -2.51 1
53 PHE 0.10 -2.01 1
55 VAL 0.77 -1.79 1
56 GLU 2.07 -0.67 1
58 SER 1.39 -0.37 1
60 SER -1.94 -3.84 1
61 ASP -1.48 -2.74 1
62 THR 3.00 0.34 1
63 VAL -1.07 -3.34 1
64 VAL -2.49 -3.30 1
65 ILE -1.94 -3.41 1
66 ARG -6.11 -4.16 1
70 SER 4.76 0.93 1
71 ASP 2.36 0.86 1
72 VAL 6.05 1.88 1
73 GLU 3.36 0.13 1
74 LYS 3.60 1.33 1
75 ALA 2.81 0.53 1
76 LYS 4.77 1.73 1
77 LYS 4.25 1.23 1
78 GLN 4.67 1.40 1
79 LEU 3.27 0.73 1
80 LEU 4.08 0.43 1
81 HIS 3.83 2.02 1
82 LEU 2.46 0.00 1
83 ALA 2.52 -0.34 1
84 GLU 1.88 -0.69 1
85 GLU 1.63 -0.62 1
86 LYS 1.02 -2.05 1
87 GLN 0.71 -1.40 1
88 THR 0.83 -1.48 1
89 LYS 0.29 -2.25 1
90 SER -0.18 -2.28 1
94 SER -0.09 -2.35 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11135_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.11
_LACS_plot.Line_1_terminator_val_y_1 1.44
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.55
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.90
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 -3.54
_LACS_plot.Y_axis_chem_shift_offset 2.31
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 HIS 2.60 -0.10 0
10 GLN 0.39 -2.45 1
11 LYS 0.53 -2.32 1
12 ASP 0.44 -2.51 1
13 LEU 0.54 -2.63 1
14 ALA 0.18 -2.28 1
15 ASN 0.30 -2.55 1
16 ILE -0.33 -2.99 1
17 ALA -4.98 0.87 1
18 GLU -4.54 0.78 1
19 VAL -5.04 0.44 1
20 GLU -4.10 -0.45 1
21 VAL -4.29 -0.42 1
22 SER -0.33 -2.96 1
23 ILE -4.68 1.11 1
25 ALA 2.78 -3.15 1
26 LYS 3.60 -3.90 1
27 LEU -1.13 -1.54 1
29 ASN 4.85 -3.45 1
30 SER 3.15 -2.96 1
31 LEU 1.74 -2.56 1
32 ILE 2.07 -1.69 1
34 THR 3.36 -3.13 1
35 LYS 2.71 -4.34 1
37 ARG 3.89 -2.97 1
38 LEU 4.03 -3.85 1
39 ILE 2.31 -3.58 1
40 ARG 5.03 -3.56 1
41 SER 4.67 -3.34 1
42 ILE 4.88 -3.00 1
43 MET 4.56 -1.71 1
44 GLU 2.55 -2.42 1
45 GLU 1.33 -2.05 1
49 VAL 0.06 -3.04 1
50 HIS -2.95 1.26 1
51 ILE -1.63 -1.27 1
52 HIS -3.44 0.93 1
53 PHE 0.10 -2.11 1
55 VAL 0.77 -2.56 1
56 GLU 2.07 -2.74 1
58 SER 1.39 -1.76 1
60 SER -1.94 -1.90 1
61 ASP -1.48 -1.26 1
62 THR 3.00 -2.66 1
63 VAL -1.07 -2.27 1
64 VAL -2.49 -0.81 1
65 ILE -1.94 -1.47 1
66 ARG -6.11 1.95 1
70 SER 4.76 -3.83 1
71 ASP 2.36 -1.50 1
72 VAL 6.05 -4.17 1
73 GLU 3.36 -3.23 1
74 LYS 3.60 -2.27 1
75 ALA 2.81 -2.28 1
76 LYS 4.77 -3.04 1
77 LYS 4.25 -3.02 1
78 GLN 4.67 -3.27 1
79 LEU 3.27 -2.54 1
80 LEU 4.08 -3.65 1
81 HIS 3.83 -1.81 1
82 LEU 2.46 -2.46 1
83 ALA 2.52 -2.86 1
84 GLU 1.88 -2.57 1
85 GLU 1.63 -2.25 1
86 LYS 1.02 -3.07 1
87 GLN 0.71 -2.11 1
88 THR 0.83 -2.31 1
89 LYS 0.29 -2.54 1
90 SER -0.18 -2.10 1
94 SER -0.09 -2.26 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11135_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.11
_LACS_plot.Line_1_terminator_val_y_1 0.34
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.27
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.04
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_LACS_plot.Y_axis_chem_shift_offset 0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
25 ALA 2.78 -2.38 0
10 GLN 0.39 -0.14 1
11 LYS 0.53 -0.17 1
12 ASP 0.44 -0.16 1
13 LEU 0.54 -0.15 1
14 ALA 0.18 -0.13 1
15 ASN 0.30 -0.15 1
16 ILE -0.33 -0.19 1
17 ALA -4.98 0.27 1
18 GLU -4.54 0.87 1
19 VAL -5.04 0.33 1
20 GLU -4.10 0.61 1
21 VAL -4.29 0.19 1
22 SER -0.33 0.35 1
23 ILE -4.68 0.03 1
26 LYS 3.60 -0.28 1
27 LEU -1.13 0.01 1
28 HIS 2.60 -0.71 1
29 ASN 4.85 -0.50 1
30 SER 3.15 -0.31 1
31 LEU 1.74 -0.32 1
32 ILE 2.07 -0.68 1
34 THR 3.36 -0.35 1
35 LYS 2.71 -0.26 1
37 ARG 3.89 -0.46 1
38 LEU 4.03 -0.15 1
39 ILE 2.31 -0.22 1
40 ARG 5.03 -0.32 1
41 SER 4.67 -0.23 1
42 ILE 4.88 -0.45 1
43 MET 4.56 -0.89 1
44 GLU 2.55 -0.47 1
45 GLU 1.33 -0.20 1
49 VAL 0.06 0.08 1
50 HIS -2.95 -0.03 1
51 ILE -1.63 0.35 1
52 HIS -3.44 0.08 1
53 PHE 0.10 -0.51 1
55 VAL 0.77 -0.27 1
56 GLU 2.07 -0.27 1
58 SER 1.39 -0.35 1
60 SER -1.94 0.01 1
61 ASP -1.48 0.26 1
62 THR 3.00 -0.25 1
63 VAL -1.07 -0.23 1
64 VAL -2.49 0.58 1
65 ILE -1.94 0.72 1
66 ARG -6.11 1.33 1
70 SER 4.76 -0.36 1
71 ASP 2.36 -0.17 1
72 VAL 6.05 -0.82 1
73 GLU 3.36 -0.48 1
74 LYS 3.60 -0.42 1
75 ALA 2.81 -0.32 1
76 LYS 4.77 -0.88 1
77 LYS 4.25 -0.50 1
78 GLN 4.67 -0.29 1
79 LEU 3.27 -0.43 1
80 LEU 4.08 -0.42 1
81 HIS 3.83 -0.38 1
82 LEU 2.46 -0.41 1
83 ALA 2.52 -0.41 1
84 GLU 1.88 -0.36 1
85 GLU 1.63 -0.37 1
86 LYS 1.02 -0.18 1
87 GLN 0.71 -0.11 1
88 THR 0.83 -0.17 1
89 LYS 0.29 -0.02 1
90 SER -0.18 -0.07 1
94 SER -0.09 -0.07 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11135_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.11
_LACS_plot.Line_1_terminator_val_y_1 -5.06
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.37
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.27
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 0.47
_LACS_plot.Y_axis_chem_shift_offset 2.31
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
49 VAL 0.06 -5.28 0
62 THR 3.00 -4.12 0
66 ARG -6.11 -3.18 0
10 GLN 0.39 -2.35 1
11 LYS 0.53 -2.72 1
12 ASP 0.44 -2.18 1
13 LEU 0.54 -2.61 1
14 ALA 0.18 -2.66 1
15 ASN 0.30 -2.99 1
16 ILE -0.33 -4.00 1
17 ALA -4.98 -5.12 1
18 GLU -4.54 -3.56 1
19 VAL -5.04 -5.28 1
20 GLU -4.10 -2.75 1
21 VAL -4.29 -5.02 1
22 SER -0.33 -2.75 1
23 ILE -4.68 -4.25 1
25 ALA 2.78 -0.06 1
26 LYS 3.60 -1.58 1
27 LEU -1.13 -1.43 1
28 HIS 2.60 0.60 1
29 ASN 4.85 0.67 1
30 SER 3.15 -1.77 1
31 LEU 1.74 -3.99 1
32 ILE 2.07 -0.09 1
35 LYS 2.71 -2.19 1
37 ARG 3.89 -0.14 1
38 LEU 4.03 -0.29 1
39 ILE 2.31 -1.14 1
40 ARG 5.03 -0.17 1
41 SER 4.67 -0.54 1
42 ILE 4.88 -0.76 1
43 MET 4.56 -0.20 1
44 GLU 2.55 0.29 1
45 GLU 1.33 -1.12 1
50 HIS -2.95 -1.95 1
51 ILE -1.63 -4.86 1
52 HIS -3.44 -1.99 1
55 VAL 0.77 -1.84 1
56 GLU 2.07 -1.41 1
58 SER 1.39 -0.82 1
60 SER -1.94 -2.65 1
61 ASP -1.48 -3.11 1
63 VAL -1.07 -4.43 1
64 VAL -2.49 -3.88 1
65 ILE -1.94 -4.32 1
70 SER 4.76 -0.02 1
71 ASP 2.36 -0.67 1
72 VAL 6.05 -1.23 1
73 GLU 3.36 -0.02 1
74 LYS 3.60 -0.13 1
75 ALA 2.81 -1.39 1
76 LYS 4.77 -1.61 1
77 LYS 4.25 0.78 1
78 GLN 4.67 0.63 1
79 LEU 3.27 -1.55 1
80 LEU 4.08 0.14 1
81 HIS 3.83 1.24 1
82 LEU 2.46 -1.02 1
83 ALA 2.52 -1.73 1
84 GLU 1.88 -0.53 1
85 GLU 1.63 -0.85 1
86 LYS 1.02 -1.55 1
87 GLN 0.71 -1.80 1
88 THR 0.83 -2.30 1
89 LYS 0.29 -2.46 1
90 SER -0.18 -2.41 1
94 SER -0.09 -3.01 1
stop_
save_