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 bmr17169_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.45
_LACS_plot.Line_1_terminator_val_y_1 -4.09
_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 -1.62
_LACS_plot.Line_2_terminator_val_x_2 5.12
_LACS_plot.Line_2_terminator_val_y_2 3.71
_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
49 GLU -8.45 -2.51 0
10 HIS 0.12 1.14 1
11 MET 0.75 -0.05 1
12 LEU -2.66 -1.33 1
13 THR -1.57 -0.87 1
14 LYS 2.37 1.19 1
15 HIS -0.28 0.05 1
17 LYS -2.77 -1.84 1
18 ASN -0.19 -0.35 1
20 VAL 5.04 3.58 1
21 MET 3.23 2.34 1
22 GLU 3.27 2.67 1
23 LEU 4.55 2.63 1
24 ASN 2.17 1.60 1
25 GLU 1.61 1.18 1
26 LYS -0.53 -0.15 1
27 ARG -5.31 -3.49 1
28 ARG -0.29 -0.32 1
30 LEU 0.67 -0.15 1
31 LYS -2.64 -1.54 1
32 TYR -1.68 -1.14 1
33 GLU -5.10 -2.39 1
34 LEU 0.63 -0.15 1
35 ILE 0.40 -0.79 1
36 SER -1.43 -0.69 1
37 GLU -3.65 -1.73 1
38 THR -3.66 -1.93 1
42 HIS 0.64 1.52 1
43 ASP 0.06 -1.12 1
44 LYS -0.28 -1.08 1
46 PHE -2.99 -1.13 1
47 VAL -1.50 -0.92 1
48 MET -5.75 -3.23 1
50 VAL -6.68 -3.65 1
51 GLU -3.75 -2.61 1
52 VAL -2.30 -1.36 1
53 ASP 3.52 0.56 1
55 GLN -3.90 -1.68 1
56 LYS -1.96 -0.91 1
57 PHE -2.32 -0.34 1
58 GLN -4.02 -1.80 1
60 ALA -7.11 -2.94 1
62 SER 1.66 1.12 1
63 ASN -3.11 -1.36 1
64 LYS 5.07 4.23 1
65 LYS 5.13 3.74 1
66 VAL 3.93 3.00 1
67 ALA 3.79 3.00 1
68 LYS 4.88 3.88 1
69 ALA 4.19 2.75 1
70 TYR 4.90 3.59 1
71 ALA 5.02 2.87 1
72 ALA 3.26 1.82 1
73 LEU 2.61 2.51 1
74 ALA 3.68 2.24 1
75 ALA 1.30 1.38 1
76 LEU 3.54 3.06 1
77 GLU 2.36 1.89 1
78 LYS 0.48 0.65 1
79 LEU 0.00 0.36 1
80 PHE -1.08 -1.23 1
82 ASP 0.27 -0.01 1
83 THR -0.26 -0.35 1
85 LEU -0.09 -0.28 1
86 ALA -0.33 -0.59 1
87 LEU 0.13 -0.11 1
88 ASP -0.24 -0.39 1
89 ALA 0.09 0.00 1
90 ASN 0.42 0.11 1
91 LYS 1.10 1.33 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17169_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.45
_LACS_plot.Line_1_terminator_val_y_1 4.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.29
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.38
_LACS_plot.Line_2_terminator_val_x_2 5.12
_LACS_plot.Line_2_terminator_val_y_2 -1.41
_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
49 GLU -8.45 5.94 0
10 HIS 0.12 1.02 1
11 MET 0.75 -0.80 1
12 LEU -2.66 1.33 1
13 THR -1.57 0.70 1
14 LYS 2.37 -1.18 1
15 HIS -0.28 0.33 1
17 LYS -2.77 0.93 1
18 ASN -0.19 -0.16 1
20 VAL 5.04 -1.46 1
21 MET 3.23 -0.89 1
22 GLU 3.27 -0.60 1
23 LEU 4.55 -1.92 1
24 ASN 2.17 -0.57 1
25 GLU 1.61 -0.43 1
26 LYS -0.53 0.38 1
27 ARG -5.31 1.82 1
28 ARG -0.29 -0.03 1
30 LEU 0.67 -0.82 1
31 LYS -2.64 1.10 1
32 TYR -1.68 0.54 1
33 GLU -5.10 2.71 1
34 LEU 0.63 -0.78 1
35 ILE 0.40 -1.19 1
36 SER -1.43 0.74 1
37 GLU -3.65 1.92 1
38 THR -3.66 1.73 1
42 HIS 0.64 0.88 1
43 ASP 0.06 -1.18 1
44 LYS -0.28 -0.80 1
46 PHE -2.99 1.86 1
47 VAL -1.50 0.58 1
48 MET -5.75 2.52 1
50 VAL -6.68 3.03 1
51 GLU -3.75 1.14 1
52 VAL -2.30 0.94 1
53 ASP 3.52 -2.96 1
55 GLN -3.90 2.22 1
56 LYS -1.96 1.05 1
57 PHE -2.32 1.98 1
58 GLN -4.02 2.22 1
60 ALA -7.11 4.17 1
62 SER 1.66 -0.54 1
63 ASN -3.11 1.75 1
64 LYS 5.07 -0.84 1
65 LYS 5.13 -1.39 1
66 VAL 3.93 -0.93 1
67 ALA 3.79 -0.79 1
68 LYS 4.88 -1.00 1
69 ALA 4.19 -1.44 1
70 TYR 4.90 -1.31 1
71 ALA 5.02 -2.15 1
72 ALA 3.26 -1.44 1
73 LEU 2.61 -0.10 1
74 ALA 3.68 -1.44 1
75 ALA 1.30 0.08 1
76 LEU 3.54 -0.48 1
77 GLU 2.36 -0.47 1
78 LYS 0.48 0.17 1
79 LEU 0.00 0.36 1
80 PHE -1.08 -0.15 1
82 ASP 0.27 -0.28 1
83 THR -0.26 -0.09 1
85 LEU -0.09 -0.19 1
86 ALA -0.33 -0.26 1
87 LEU 0.13 -0.24 1
88 ASP -0.24 -0.15 1
89 ALA 0.09 -0.09 1
90 ASN 0.42 -0.31 1
91 LYS 1.10 0.23 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17169_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.45
_LACS_plot.Line_1_terminator_val_y_1 0.76
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.26
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.12
_LACS_plot.Line_2_terminator_val_x_2 5.12
_LACS_plot.Line_2_terminator_val_y_2 -0.55
_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
75 ALA 1.30 -2.27 0
10 HIS 0.12 -0.15 1
11 MET 0.75 -0.16 1
12 LEU -2.66 0.27 1
13 THR -1.57 -0.02 1
14 LYS 2.37 -0.22 1
15 HIS -0.28 -0.01 1
17 LYS -2.77 0.13 1
18 ASN -0.19 -0.20 1
20 VAL 5.04 -0.74 1
21 MET 3.23 -0.34 1
22 GLU 3.27 -0.46 1
23 LEU 4.55 -0.41 1
24 ASN 2.17 -0.11 1
25 GLU 1.61 -0.38 1
26 LYS -0.53 -0.22 1
27 ARG -5.31 0.28 1
28 ARG -0.29 0.07 1
30 LEU 0.67 -0.12 1
31 LYS -2.64 0.28 1
32 TYR -1.68 0.39 1
33 GLU -5.10 0.28 1
34 LEU 0.63 0.63 1
35 ILE 0.40 0.19 1
36 SER -1.43 0.09 1
37 GLU -3.65 0.47 1
38 THR -3.66 0.26 1
42 HIS 0.64 -0.10 1
43 ASP 0.06 -0.03 1
44 LYS -0.28 0.02 1
46 PHE -2.99 0.54 1
47 VAL -1.50 0.92 1
48 MET -5.75 1.13 1
49 GLU -8.45 1.32 1
50 VAL -6.68 0.63 1
51 GLU -3.75 0.94 1
52 VAL -2.30 0.15 1
53 ASP 3.52 -0.40 1
55 GLN -3.90 0.08 1
56 LYS -1.96 0.34 1
57 PHE -2.32 0.03 1
58 GLN -4.02 1.47 1
60 ALA -7.11 1.76 1
62 SER 1.66 0.24 1
63 ASN -3.11 -0.12 1
64 LYS 5.07 -1.04 1
65 LYS 5.13 -0.58 1
66 VAL 3.93 -0.51 1
67 ALA 3.79 -0.52 1
68 LYS 4.88 -0.78 1
69 ALA 4.19 -0.45 1
70 TYR 4.90 -0.15 1
71 ALA 5.02 -0.35 1
72 ALA 3.26 -0.36 1
73 LEU 2.61 -0.43 1
74 ALA 3.68 -0.17 1
76 LEU 3.54 -0.40 1
77 GLU 2.36 -0.48 1
78 LYS 0.48 -0.06 1
79 LEU 0.00 -0.33 1
80 PHE -1.08 0.16 1
82 ASP 0.27 -0.02 1
83 THR -0.26 -0.04 1
85 LEU -0.09 -0.08 1
86 ALA -0.33 -0.03 1
87 LEU 0.13 -0.10 1
88 ASP -0.24 -0.11 1
89 ALA 0.09 -0.07 1
90 ASN 0.42 -0.07 1
91 LYS 1.10 -0.22 1
stop_
save_