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 bmr4455_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.94
_LACS_plot.Line_1_terminator_val_y_1 -3.16
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.34
_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 6.01
_LACS_plot.Line_2_terminator_val_y_2 3.47
_LACS_plot.Y_axis_chem_shift_offset -0.44
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
15 PHE -2.88 -4.98 0
10 TYR 4.52 1.67 1
12 ASN -5.82 -2.35 1
13 VAL -4.75 -2.00 1
14 THR -2.83 -1.00 1
16 HIS 0.05 2.06 1
17 VAL -1.83 -0.78 1
19 SER -0.11 0.04 1
20 ASN 0.67 0.64 1
21 GLN -1.23 -0.22 1
23 LEU -0.99 -0.55 1
24 LYS 0.47 1.07 1
25 GLU -3.99 -1.38 1
26 VAL -4.16 -1.18 1
27 LEU -3.36 -0.52 1
28 TRP -3.77 -1.17 1
29 LYS -5.56 -1.47 1
30 LYS -3.77 -1.50 1
31 GLN 6.02 3.23 1
32 LYS 1.21 0.28 1
33 ASP -2.44 -0.82 1
34 LYS 2.01 2.41 1
35 VAL 0.52 1.09 1
36 ALA -4.24 -1.02 1
37 GLU -7.47 -2.03 1
38 LEU -5.56 -1.47 1
39 GLU -2.98 -0.78 1
40 ASN 3.68 1.99 1
41 SER 3.31 2.13 1
42 GLU -3.19 -1.40 1
43 PHE -4.79 -2.48 1
44 ARG -4.67 -1.41 1
45 ALA -6.25 -2.40 1
46 PHE -3.09 -0.15 1
47 SER 1.88 0.22 1
48 SER 2.84 1.74 1
49 PHE 3.16 1.97 1
50 LYS 3.44 2.74 1
51 ASN 2.08 1.57 1
52 ARG -0.87 -0.16 1
53 VAL -7.94 -4.17 1
54 TYR -3.99 -0.32 1
55 LEU -5.29 -2.98 1
56 ASP -1.97 -0.83 1
57 THR 3.79 2.25 1
58 LYS 2.31 1.52 1
59 SER -3.17 0.10 1
61 SER 2.97 2.53 1
62 LEU -3.88 -2.27 1
63 THR -2.22 -0.96 1
64 ILE -2.30 -0.84 1
65 TYR -2.79 -1.32 1
66 ASN 2.03 -0.26 1
67 LEU -0.79 0.18 1
68 THR -5.03 -2.26 1
69 SER 5.49 3.91 1
70 SER 3.02 1.90 1
71 ASP 0.85 1.12 1
72 GLU 0.10 0.41 1
73 ASP -4.45 -1.52 1
74 GLU -3.76 -1.39 1
75 TYR -5.09 -1.55 1
76 GLU -6.93 -2.06 1
77 MET -1.50 -1.53 1
78 GLU -6.15 -2.36 1
79 SER -4.29 -1.08 1
81 ASN -0.58 0.82 1
82 ILE -2.75 -1.28 1
83 THR 3.00 2.12 1
84 ASP -2.58 -0.82 1
85 SER -0.36 -0.33 1
86 MET -3.09 -0.78 1
87 LYS -3.49 -0.99 1
88 PHE -5.08 -1.83 1
89 PHE -1.37 0.03 1
90 LEU -4.42 -2.20 1
91 TYR -2.35 -0.80 1
92 VAL -0.74 -0.72 1
94 GLU -0.67 0.41 1
95 SER 0.46 1.68 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4455_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.94
_LACS_plot.Line_1_terminator_val_y_1 4.78
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.66
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.44
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 -2.54
_LACS_plot.Y_axis_chem_shift_offset -0.44
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
15 PHE -2.88 -2.10 0
10 TYR 4.52 -2.85 1
12 ASN -5.82 3.47 1
13 VAL -4.75 2.75 1
14 THR -2.83 1.83 1
16 HIS 0.05 2.01 1
17 VAL -1.83 1.05 1
19 SER -0.11 0.15 1
20 ASN 0.67 -0.03 1
21 GLN -1.23 1.01 1
23 LEU -0.99 0.44 1
24 LYS 0.47 0.60 1
25 GLU -3.99 2.61 1
26 VAL -4.16 2.98 1
27 LEU -3.36 2.84 1
28 TRP -3.77 2.60 1
29 LYS -5.56 4.09 1
30 LYS -3.77 2.27 1
31 GLN 6.02 -2.79 1
32 LYS 1.21 -0.93 1
33 ASP -2.44 1.62 1
34 LYS 2.01 0.40 1
35 VAL 0.52 0.57 1
36 ALA -4.24 3.22 1
37 GLU -7.47 5.44 1
38 LEU -5.56 4.09 1
39 GLU -2.98 2.20 1
40 ASN 3.68 -1.69 1
41 SER 3.31 -1.18 1
42 GLU -3.19 1.79 1
43 PHE -4.79 2.31 1
44 ARG -4.67 3.26 1
45 ALA -6.25 3.85 1
46 PHE -3.09 2.94 1
47 SER 1.88 -1.66 1
48 SER 2.84 -1.10 1
49 PHE 3.16 -1.19 1
50 LYS 3.44 -0.70 1
51 ASN 2.08 -0.51 1
52 ARG -0.87 0.71 1
53 VAL -7.94 3.77 1
54 TYR -3.99 3.67 1
55 LEU -5.29 2.31 1
56 ASP -1.97 1.14 1
57 THR 3.79 -1.54 1
58 LYS 2.31 -0.79 1
59 SER -3.17 3.27 1
61 SER 2.97 -0.44 1
62 LEU -3.88 1.61 1
63 THR -2.22 1.26 1
64 ILE -2.30 1.46 1
65 TYR -2.79 1.47 1
66 ASN 2.03 -2.29 1
67 LEU -0.79 0.97 1
68 THR -5.03 2.77 1
69 SER 5.49 -1.58 1
70 SER 3.02 -1.12 1
71 ASP 0.85 0.27 1
72 GLU 0.10 0.31 1
73 ASP -4.45 2.93 1
74 GLU -3.76 2.37 1
75 TYR -5.09 3.54 1
76 GLU -6.93 4.87 1
77 MET -1.50 -0.03 1
78 GLU -6.15 3.79 1
79 SER -4.29 3.21 1
81 ASN -0.58 1.40 1
82 ILE -2.75 1.47 1
83 THR 3.00 -0.88 1
84 ASP -2.58 1.76 1
85 SER -0.36 0.03 1
86 MET -3.09 2.31 1
87 LYS -3.49 2.50 1
88 PHE -5.08 3.25 1
89 PHE -1.37 1.40 1
90 LEU -4.42 2.22 1
91 TYR -2.35 1.55 1
92 VAL -0.74 0.02 1
94 GLU -0.67 1.08 1
95 SER 0.46 1.22 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4455_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.94
_LACS_plot.Line_1_terminator_val_y_1 0.87
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.22
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
53 VAL -7.94 1.60 0
10 TYR 4.52 -0.14 1
12 ASN -5.82 0.98 1
13 VAL -4.75 0.32 1
14 THR -2.83 0.45 1
15 PHE -2.88 -0.27 1
16 HIS 0.05 -0.29 1
17 VAL -1.83 0.13 1
19 SER -0.11 0.00 1
20 ASN 0.67 0.01 1
21 GLN -1.23 0.13 1
23 LEU -0.99 0.02 1
24 LYS 0.47 -0.03 1
25 GLU -3.99 0.61 1
26 VAL -4.16 0.56 1
27 LEU -3.36 0.81 1
28 TRP -3.77 0.83 1
29 LYS -5.56 0.75 1
30 LYS -3.77 -0.06 1
31 GLN 6.02 -0.67 1
32 LYS 1.21 -0.12 1
33 ASP -2.44 0.15 1
34 LYS 2.01 -0.28 1
35 VAL 0.52 0.01 1
36 ALA -4.24 1.04 1
37 GLU -7.47 1.09 1
38 LEU -5.56 0.96 1
39 GLU -2.98 0.34 1
40 ASN 3.68 -0.36 1
41 SER 3.31 -0.48 1
42 GLU -3.19 0.34 1
43 PHE -4.79 1.14 1
44 ARG -4.67 -0.26 1
45 ALA -6.25 0.53 1
46 PHE -3.09 0.13 1
47 SER 1.88 -0.41 1
48 SER 2.84 -0.13 1
49 PHE 3.16 -0.34 1
50 LYS 3.44 -0.56 1
51 ASN 2.08 -0.12 1
52 ARG -0.87 0.55 1
54 TYR -3.99 -0.12 1
55 LEU -5.29 0.21 1
56 ASP -1.97 -0.29 1
57 THR 3.79 -0.56 1
58 LYS 2.31 -0.02 1
59 SER -3.17 0.16 1
61 SER 2.97 0.14 1
62 LEU -3.88 0.22 1
63 THR -2.22 0.70 1
64 ILE -2.30 0.19 1
65 TYR -2.79 0.19 1
67 LEU -0.79 -0.11 1
68 THR -5.03 0.22 1
69 SER 5.49 -0.38 1
70 SER 3.02 -0.09 1
71 ASP 0.85 0.01 1
72 GLU 0.10 0.14 1
73 ASP -4.45 -0.27 1
74 GLU -3.76 0.45 1
75 TYR -5.09 0.96 1
76 GLU -6.93 1.10 1
77 MET -1.50 -0.04 1
78 GLU -6.15 0.28 1
79 SER -4.29 0.29 1
81 ASN -0.58 -0.01 1
82 ILE -2.75 0.44 1
83 THR 3.00 -0.19 1
84 ASP -2.58 0.17 1
85 SER -0.36 0.08 1
86 MET -3.09 0.22 1
87 LYS -3.49 1.01 1
88 PHE -5.08 0.54 1
89 PHE -1.37 0.23 1
90 LEU -4.42 0.69 1
91 TYR -2.35 0.19 1
92 VAL -0.74 0.05 1
94 GLU -0.67 -0.04 1
95 SER 0.46 -0.27 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4455_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.94
_LACS_plot.Line_1_terminator_val_y_1 -2.62
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.51
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.38
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 0.23
_LACS_plot.Y_axis_chem_shift_offset 0.95
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
13 VAL -4.75 -4.59 0
68 THR -5.03 0.96 0
31 GLN 6.02 -0.75 0
10 TYR 4.52 0.15 1
12 ASN -5.82 -0.07 1
14 THR -2.83 -2.53 1
15 PHE -2.88 -2.27 1
16 HIS 0.05 0.92 1
17 VAL -1.83 -0.02 1
19 SER -0.11 0.37 1
20 ASN 0.67 -0.85 1
21 GLN -1.23 -1.55 1
23 LEU -0.99 -0.97 1
24 LYS 0.47 -0.63 1
25 GLU -3.99 -1.96 1
26 VAL -4.16 -4.13 1
27 LEU -3.36 -3.55 1
28 TRP -3.77 -0.21 1
29 LYS -5.56 -2.83 1
30 LYS -3.77 -0.22 1
32 LYS 1.21 -0.41 1
33 ASP -2.44 -0.91 1
34 LYS 2.01 -0.70 1
35 VAL 0.52 -1.12 1
36 ALA -4.24 -3.31 1
37 GLU -7.47 -3.54 1
38 LEU -5.56 -1.98 1
39 GLU -2.98 -0.73 1
40 ASN 3.68 -0.48 1
41 SER 3.31 -1.91 1
42 GLU -3.19 -2.07 1
43 PHE -4.79 -1.36 1
44 ARG -4.67 -4.00 1
45 ALA -6.25 -2.01 1
46 PHE -3.09 -0.39 1
48 SER 2.84 0.43 1
49 PHE 3.16 -0.41 1
51 ASN 2.08 0.23 1
52 ARG -0.87 -2.87 1
53 VAL -7.94 -1.14 1
55 LEU -5.29 -4.32 1
56 ASP -1.97 0.96 1
57 THR 3.79 0.02 1
58 LYS 2.31 0.08 1
59 SER -3.17 -0.62 1
61 SER 2.97 -1.97 1
62 LEU -3.88 -3.57 1
63 THR -2.22 -1.97 1
64 ILE -2.30 -2.21 1
66 ASN 2.03 -1.10 1
67 LEU -0.79 0.80 1
70 SER 3.02 -0.56 1
71 ASP 0.85 0.22 1
72 GLU 0.10 -2.14 1
73 ASP -4.45 -3.42 1
74 GLU -3.76 -1.83 1
75 TYR -5.09 -0.36 1
76 GLU -6.93 -3.49 1
77 MET -1.50 -1.56 1
78 GLU -6.15 -1.38 1
79 SER -4.29 0.69 1
81 ASN -0.58 -1.15 1
82 ILE -2.75 -0.74 1
83 THR 3.00 -0.45 1
84 ASP -2.58 -1.36 1
85 SER -0.36 -0.57 1
86 MET -3.09 -2.28 1
87 LYS -3.49 -0.88 1
88 PHE -5.08 -1.82 1
89 PHE -1.37 -2.94 1
90 LEU -4.42 -3.84 1
91 TYR -2.35 -0.45 1
92 VAL -0.74 -0.80 1
94 GLU -0.67 -0.57 1
stop_
save_