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 bmr11233_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 -5.41
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.73
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.96
_LACS_plot.Line_2_terminator_val_x_2 3.30
_LACS_plot.Line_2_terminator_val_y_2 -0.29
_LACS_plot.Y_axis_chem_shift_offset 2.57
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
62 VAL -6.71 -6.45 0
18 ILE -0.48 -4.30 0
46 GLN -6.53 -4.14 0
10 TYR -4.48 -3.32 1
11 VAL -6.78 -6.21 1
12 ILE -6.43 -5.91 1
13 ALA -1.84 -2.60 1
14 LEU 0.13 -2.05 1
15 ARG -5.59 -4.93 1
16 SER 0.85 -2.19 1
17 TYR -1.87 -3.04 1
19 THR -3.77 -5.02 1
20 ASP -0.58 -3.66 1
21 ASN -0.91 -2.56 1
23 SER 1.32 -1.11 1
24 LEU -2.32 -4.37 1
25 LEU -3.00 -3.67 1
26 SER -3.97 -4.77 1
27 PHE -1.32 -4.35 1
28 HIS -3.86 -3.02 1
29 ARG 3.31 -0.11 1
31 ASP 1.25 -1.57 1
32 LEU -2.60 -3.86 1
33 ILE -3.12 -3.45 1
34 LYS -2.67 -4.05 1
35 LEU 0.73 -2.39 1
36 LEU -4.67 -4.28 1
38 VAL -3.47 -4.27 1
39 ALA 1.96 -0.60 1
40 THR -1.23 -3.64 1
41 LEU -3.19 -3.63 1
42 GLU -0.16 -2.36 1
45 TRP -2.53 -3.21 1
47 PHE -5.70 -4.00 1
49 SER -5.48 -5.43 1
50 ALA -2.17 -2.25 1
53 ARG -4.10 -4.18 1
54 SER -4.39 -4.50 1
56 LEU -3.89 -3.10 1
57 PHE 1.18 -2.06 1
59 ALA 1.78 -1.37 1
60 ASP 1.64 -2.21 1
61 ILE 0.29 -2.60 1
63 GLN -3.79 -3.79 1
65 ALA -4.98 -4.47 1
66 ALA -1.13 -3.51 1
67 ALA 0.18 -2.68 1
69 ASP -0.26 -2.83 1
70 PHE 0.64 -2.44 1
71 SER 0.65 -2.05 1
72 PHE 0.45 -2.38 1
73 SER -0.06 -2.63 1
74 LYS 1.07 -1.95 1
75 GLU 0.12 -2.35 1
76 GLN 0.32 -2.39 1
77 ARG 0.21 -2.54 1
78 SER -0.22 -2.56 1
80 SER -0.16 -2.62 1
83 SER 0.06 -2.58 1
84 SER -0.40 -2.63 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11233_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 1.37
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.73
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.96
_LACS_plot.Line_2_terminator_val_x_2 3.30
_LACS_plot.Line_2_terminator_val_y_2 -3.59
_LACS_plot.Y_axis_chem_shift_offset 2.57
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
62 VAL -6.71 0.26 0
18 ILE -0.48 -3.82 0
46 GLN -6.53 2.39 0
10 TYR -4.48 1.16 1
11 VAL -6.78 0.57 1
12 ILE -6.43 0.52 1
13 ALA -1.84 -0.76 1
14 LEU 0.13 -2.18 1
15 ARG -5.59 0.66 1
16 SER 0.85 -3.04 1
17 TYR -1.87 -1.17 1
19 THR -3.77 -1.25 1
20 ASP -0.58 -3.08 1
21 ASN -0.91 -1.65 1
23 SER 1.32 -2.43 1
24 LEU -2.32 -2.05 1
25 LEU -3.00 -0.67 1
26 SER -3.97 -0.80 1
27 PHE -1.32 -3.03 1
28 HIS -3.86 0.84 1
29 ARG 3.31 -3.42 1
31 ASP 1.25 -2.82 1
32 LEU -2.60 -1.26 1
33 ILE -3.12 -0.33 1
34 LYS -2.67 -1.38 1
35 LEU 0.73 -3.12 1
36 LEU -4.67 0.39 1
38 VAL -3.47 -0.80 1
39 ALA 1.96 -2.56 1
40 THR -1.23 -2.41 1
41 LEU -3.19 -0.44 1
42 GLU -0.16 -2.20 1
45 TRP -2.53 -0.68 1
47 PHE -5.70 1.70 1
49 SER -5.48 0.05 1
50 ALA -2.17 -0.08 1
53 ARG -4.10 -0.08 1
54 SER -4.39 -0.11 1
56 LEU -3.89 0.79 1
57 PHE 1.18 -3.24 1
59 ALA 1.78 -3.15 1
60 ASP 1.64 -3.85 1
61 ILE 0.29 -2.89 1
63 GLN -3.79 0.00 1
65 ALA -4.98 0.51 1
66 ALA -1.13 -2.38 1
67 ALA 0.18 -2.86 1
69 ASP -0.26 -2.57 1
70 PHE 0.64 -3.08 1
71 SER 0.65 -2.70 1
72 PHE 0.45 -2.83 1
73 SER -0.06 -2.57 1
74 LYS 1.07 -3.02 1
75 GLU 0.12 -2.47 1
76 GLN 0.32 -2.71 1
77 ARG 0.21 -2.75 1
78 SER -0.22 -2.34 1
80 SER -0.16 -2.46 1
83 SER 0.06 -2.64 1
84 SER -0.40 -2.23 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11233_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 0.65
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.37
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.07
_LACS_plot.Line_2_terminator_val_x_2 3.30
_LACS_plot.Line_2_terminator_val_y_2 -0.45
_LACS_plot.Y_axis_chem_shift_offset 0.13
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 ARG 3.31 -1.14 0
46 GLN -6.53 0.07 0
56 LEU -3.89 1.24 0
10 TYR -4.48 0.81 1
11 VAL -6.78 0.77 1
12 ILE -6.43 0.83 1
13 ALA -1.84 -0.13 1
14 LEU 0.13 -0.17 1
15 ARG -5.59 0.14 1
16 SER 0.85 -0.06 1
17 TYR -1.87 -0.27 1
18 ILE -0.48 -0.13 1
19 THR -3.77 0.03 1
20 ASP -0.58 -0.03 1
21 ASN -0.91 -0.14 1
23 SER 1.32 0.05 1
24 LEU -2.32 0.87 1
25 LEU -3.00 -0.19 1
26 SER -3.97 0.71 1
27 PHE -1.32 -0.09 1
28 HIS -3.86 0.07 1
31 ASP 1.25 -0.21 1
32 LEU -2.60 0.42 1
33 ILE -3.12 -0.01 1
34 LYS -2.67 -0.44 1
35 LEU 0.73 0.15 1
36 LEU -4.67 0.26 1
38 VAL -3.47 0.00 1
39 ALA 1.96 -0.26 1
40 THR -1.23 -0.11 1
41 LEU -3.19 -0.11 1
42 GLU -0.16 -0.22 1
45 TRP -2.53 0.09 1
47 PHE -5.70 0.59 1
49 SER -5.48 1.07 1
50 ALA -2.17 0.30 1
53 ARG -4.10 0.37 1
54 SER -4.39 1.08 1
57 PHE 1.18 0.28 1
59 ALA 1.78 -0.67 1
60 ASP 1.64 -0.23 1
61 ILE 0.29 0.34 1
62 VAL -6.71 1.14 1
63 GLN -3.79 0.39 1
65 ALA -4.98 0.14 1
66 ALA -1.13 -0.11 1
67 ALA 0.18 -0.78 1
69 ASP -0.26 -0.29 1
70 PHE 0.64 -0.16 1
71 SER 0.65 -0.28 1
72 PHE 0.45 -0.12 1
73 SER -0.06 -0.17 1
74 LYS 1.07 -0.17 1
75 GLU 0.12 -0.22 1
76 GLN 0.32 -0.13 1
77 ARG 0.21 -0.06 1
78 SER -0.22 -0.05 1
80 SER -0.16 -0.04 1
83 SER 0.06 -0.06 1
84 SER -0.40 -0.07 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11233_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 -4.74
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.58
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.47
_LACS_plot.Line_2_terminator_val_x_2 3.30
_LACS_plot.Line_2_terminator_val_y_2 -2.51
_LACS_plot.Y_axis_chem_shift_offset 3.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
54 SER -4.39 2.76 0
10 TYR -4.48 -2.40 1
11 VAL -6.78 -6.20 1
12 ILE -6.43 -4.16 1
13 ALA -1.84 -0.94 1
14 LEU 0.13 -3.70 1
15 ARG -5.59 -5.29 1
16 SER 0.85 -4.88 1
17 TYR -1.87 -6.74 1
18 ILE -0.48 -3.37 1
19 THR -3.77 -4.51 1
20 ASP -0.58 -3.60 1
21 ASN -0.91 -0.93 1
23 SER 1.32 -3.21 1
24 LEU -2.32 -3.68 1
25 LEU -3.00 -6.36 1
26 SER -3.97 -2.68 1
27 PHE -1.32 -5.22 1
28 HIS -3.86 -2.05 1
29 ARG 3.31 -2.55 1
31 ASP 1.25 -4.39 1
32 LEU -2.60 -3.49 1
33 ILE -3.12 -4.80 1
34 LYS -2.67 -3.28 1
35 LEU 0.73 -3.50 1
36 LEU -4.67 -3.86 1
38 VAL -3.47 -3.76 1
39 ALA 1.96 -2.29 1
40 THR -1.23 -4.72 1
41 LEU -3.19 -3.56 1
42 GLU -0.16 -3.53 1
45 TRP -2.53 -4.75 1
46 GLN -6.53 -6.90 1
47 PHE -5.70 -3.56 1
49 SER -5.48 -3.49 1
50 ALA -2.17 -2.01 1
53 ARG -4.10 -4.92 1
56 LEU -3.89 -2.22 1
57 PHE 1.18 -5.82 1
59 ALA 1.78 -2.20 1
60 ASP 1.64 -1.82 1
61 ILE 0.29 -5.62 1
62 VAL -6.71 -5.01 1
63 GLN -3.79 -4.63 1
65 ALA -4.98 -4.77 1
66 ALA -1.13 -3.93 1
67 ALA 0.18 -2.62 1
69 ASP -0.26 -2.68 1
70 PHE 0.64 -2.51 1
71 SER 0.65 -3.01 1
72 PHE 0.45 -2.52 1
73 SER -0.06 -2.58 1
74 LYS 1.07 -2.43 1
75 GLU 0.12 -2.65 1
76 GLN 0.32 -2.62 1
77 ARG 0.21 -2.54 1
78 SER -0.22 -2.63 1
80 SER -0.16 -2.16 1
83 SER 0.06 -2.60 1
84 SER -0.40 -3.32 1
stop_
save_