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 bmr17305_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -1.35
_LACS_plot.Line_1_terminator_val_y_1 -0.38
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.99
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.41
_LACS_plot.Line_2_terminator_val_x_2 8.00
_LACS_plot.Line_2_terminator_val_y_2 6.19
_LACS_plot.Y_axis_chem_shift_offset -0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
84 ARG -0.45 -4.94 0
10 ASP 0.73 0.55 1
12 LEU 3.89 3.11 1
14 ARG 4.63 3.59 1
15 LEU 3.89 3.57 1
17 THR 6.16 5.17 1
18 TYR 5.56 5.15 1
19 LEU 3.67 2.65 1
20 GLU 1.88 1.84 1
21 GLU 0.56 0.52 1
22 LEU 1.14 -0.57 1
23 GLU -1.35 -0.93 1
24 ALA 5.78 4.33 1
25 VAL 4.57 2.92 1
26 GLU 1.19 1.61 1
27 LEU 5.05 2.65 1
28 LYS 5.47 4.31 1
29 LYS 4.32 4.08 1
30 PHE 3.33 3.50 1
31 LYS 2.71 3.85 1
32 LEU 3.43 2.88 1
33 TYR 4.87 3.54 1
34 LEU 2.74 1.96 1
36 THR -0.53 0.33 1
37 ALA 1.17 0.64 1
38 THR 1.55 1.25 1
39 GLU 2.11 1.15 1
40 LEU 0.43 0.11 1
42 GLU 0.73 0.23 1
44 LYS 0.18 0.40 1
45 ILE -0.87 -0.26 1
47 TRP 3.09 2.78 1
49 SER 2.73 1.98 1
50 MET -1.06 0.97 1
51 GLU 4.64 4.14 1
52 LYS 0.40 -0.76 1
53 ALA 0.02 0.41 1
56 LEU 4.82 3.34 1
57 GLU 3.95 3.22 1
58 MET 2.16 0.51 1
59 ALA 3.59 3.29 1
60 GLN 4.12 3.20 1
61 LEU 3.20 3.34 1
62 LEU 3.43 3.57 1
63 ILE 5.58 4.48 1
64 THR 5.93 4.94 1
65 HIS 3.73 4.82 1
66 PHE -0.35 0.74 1
69 GLU 4.41 3.68 1
70 GLU 2.34 1.15 1
71 ALA 2.79 3.41 1
72 TRP 1.14 1.63 1
73 ARG 4.86 4.05 1
74 LEU 2.51 1.96 1
75 ALA 4.39 3.17 1
76 LEU 4.59 3.11 1
77 SER 3.89 2.68 1
78 THR 8.00 5.40 1
79 PHE 3.56 0.51 1
80 GLU 4.64 3.68 1
81 ARG 2.56 1.98 1
82 ILE 1.20 -0.36 1
83 ASN 3.77 1.65 1
85 LYS 3.86 2.93 1
86 ASP 4.88 2.17 1
87 LEU 2.74 1.96 1
88 TRP 5.06 4.40 1
89 GLU 3.49 2.99 1
90 ARG 3.24 3.59 1
92 GLN 2.74 1.82 1
93 ARG 1.41 1.06 1
94 GLU 1.42 0.92 1
95 ASP 0.96 0.55 1
96 LEU 0.89 0.57 1
97 VAL 1.35 0.62 1
98 ARG -0.20 -0.09 1
99 ASP 0.26 0.32 1
100 THR -0.29 -0.13 1
101 VAL 0.20 -0.07 1
102 GLU 0.30 1.39 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17305_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -1.35
_LACS_plot.Line_1_terminator_val_y_1 0.97
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.01
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.59
_LACS_plot.Line_2_terminator_val_x_2 8.00
_LACS_plot.Line_2_terminator_val_y_2 -1.81
_LACS_plot.Y_axis_chem_shift_offset -0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
84 ARG -0.45 -4.49 0
10 ASP 0.73 -0.18 1
12 LEU 3.89 -0.78 1
14 ARG 4.63 -1.04 1
15 LEU 3.89 -0.32 1
17 THR 6.16 -0.99 1
18 TYR 5.56 -0.41 1
19 LEU 3.67 -1.02 1
20 GLU 1.88 -0.04 1
21 GLU 0.56 -0.04 1
22 LEU 1.14 -1.71 1
23 GLU -1.35 0.42 1
24 ALA 5.78 -1.45 1
25 VAL 4.57 -1.65 1
26 GLU 1.19 0.42 1
27 LEU 5.05 -2.40 1
28 LYS 5.47 -1.16 1
29 LYS 4.32 -0.24 1
30 PHE 3.33 0.17 1
31 LYS 2.71 1.14 1
32 LEU 3.43 -0.55 1
33 TYR 4.87 -1.33 1
34 LEU 2.74 -0.78 1
36 THR -0.53 0.86 1
37 ALA 1.17 -0.53 1
38 THR 1.55 -0.30 1
39 GLU 2.11 -0.96 1
40 LEU 0.43 -0.32 1
42 GLU 0.73 -0.50 1
44 LYS 0.18 0.22 1
45 ILE -0.87 0.61 1
47 TRP 3.09 -0.31 1
49 SER 2.73 -0.75 1
50 MET -1.06 2.03 1
51 GLU 4.64 -0.50 1
52 LYS 0.40 -1.16 1
53 ALA 0.02 0.39 1
56 LEU 4.82 -1.48 1
57 GLU 3.95 -0.73 1
58 MET 2.16 -1.65 1
59 ALA 3.59 -0.30 1
60 GLN 4.12 -0.92 1
61 LEU 3.20 0.14 1
62 LEU 3.43 0.14 1
63 ILE 5.58 -1.10 1
64 THR 5.93 -0.99 1
65 HIS 3.73 1.09 1
66 PHE -0.35 1.09 1
69 GLU 4.41 -0.73 1
70 GLU 2.34 -1.19 1
71 ALA 2.79 0.62 1
72 TRP 1.14 0.49 1
73 ARG 4.86 -0.81 1
74 LEU 2.51 -0.55 1
75 ALA 4.39 -1.22 1
76 LEU 4.59 -1.48 1
77 SER 3.89 -1.21 1
78 THR 8.00 -2.60 1
79 PHE 3.56 -3.05 1
80 GLU 4.64 -0.96 1
81 ARG 2.56 -0.58 1
82 ILE 1.20 -1.56 1
83 ASN 3.77 -2.12 1
85 LYS 3.86 -0.93 1
86 ASP 4.88 -2.71 1
87 LEU 2.74 -0.78 1
88 TRP 5.06 -0.66 1
89 GLU 3.49 -0.50 1
90 ARG 3.24 0.35 1
92 GLN 2.74 -0.92 1
93 ARG 1.41 -0.35 1
94 GLU 1.42 -0.50 1
95 ASP 0.96 -0.41 1
96 LEU 0.89 -0.32 1
97 VAL 1.35 -0.73 1
98 ARG -0.20 0.11 1
99 ASP 0.26 0.06 1
100 THR -0.29 0.16 1
101 VAL 0.20 -0.27 1
102 GLU 0.30 1.09 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17305_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -1.35
_LACS_plot.Line_1_terminator_val_y_1 -0.07
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.31
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.01
_LACS_plot.Line_2_terminator_val_x_2 8.00
_LACS_plot.Line_2_terminator_val_y_2 -0.76
_LACS_plot.Y_axis_chem_shift_offset 0.16
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
51 GLU 4.64 -1.32 0
10 ASP 0.73 -0.28 1
12 LEU 3.89 -0.47 1
14 ARG 4.63 -0.36 1
15 LEU 3.89 -0.13 1
17 THR 6.16 -0.46 1
18 TYR 5.56 -0.70 1
19 LEU 3.67 -0.47 1
20 GLU 1.88 -0.47 1
21 GLU 0.56 -0.30 1
22 LEU 1.14 -0.13 1
23 GLU -1.35 -0.04 1
24 ALA 5.78 -0.29 1
25 VAL 4.57 -0.19 1
26 GLU 1.19 -0.38 1
27 LEU 5.05 -0.25 1
28 LYS 5.47 -0.25 1
29 LYS 4.32 -0.38 1
30 PHE 3.33 -0.82 1
31 LYS 2.71 -0.47 1
32 LEU 3.43 -0.36 1
33 TYR 4.87 -0.55 1
34 LEU 2.74 -0.58 1
36 THR -0.53 -0.04 1
37 ALA 1.17 -0.22 1
38 THR 1.55 -0.25 1
39 GLU 2.11 -0.25 1
40 LEU 0.43 -0.17 1
42 GLU 0.73 -0.19 1
44 LYS 0.18 -0.20 1
45 ILE -0.87 -0.62 1
47 TRP 3.09 -0.48 1
49 SER 2.73 -0.21 1
50 MET -1.06 -0.38 1
52 LYS 0.40 -0.10 1
53 ALA 0.02 -0.30 1
56 LEU 4.82 -0.34 1
57 GLU 3.95 -0.43 1
58 MET 2.16 -0.18 1
59 ALA 3.59 -0.52 1
60 GLN 4.12 -0.50 1
61 LEU 3.20 -0.30 1
62 LEU 3.43 -0.29 1
63 ILE 5.58 -0.86 1
64 THR 5.93 -0.60 1
65 HIS 3.73 -0.78 1
66 PHE -0.35 0.13 1
69 GLU 4.41 -0.25 1
70 GLU 2.34 -0.10 1
71 ALA 2.79 -0.66 1
72 TRP 1.14 -0.23 1
73 ARG 4.86 -0.87 1
74 LEU 2.51 -0.59 1
75 ALA 4.39 -0.84 1
76 LEU 4.59 -0.78 1
77 SER 3.89 -0.34 1
78 THR 8.00 -1.01 1
79 PHE 3.56 -0.11 1
80 GLU 4.64 -0.93 1
81 ARG 2.56 -0.44 1
82 ILE 1.20 0.26 1
83 ASN 3.77 -0.46 1
84 ARG -0.45 0.44 1
85 LYS 3.86 -0.44 1
86 ASP 4.88 -0.36 1
87 LEU 2.74 -0.34 1
88 TRP 5.06 -0.49 1
89 GLU 3.49 -0.89 1
90 ARG 3.24 -0.52 1
92 GLN 2.74 -0.55 1
93 ARG 1.41 -0.22 1
94 GLU 1.42 -0.32 1
95 ASP 0.96 -0.19 1
96 LEU 0.89 -0.24 1
97 VAL 1.35 -0.21 1
98 ARG -0.20 -0.12 1
99 ASP 0.26 -0.12 1
100 THR -0.29 -0.10 1
101 VAL 0.20 -0.08 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17305_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -1.35
_LACS_plot.Line_1_terminator_val_y_1 -2.86
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.68
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.07
_LACS_plot.Line_2_terminator_val_x_2 6.15
_LACS_plot.Line_2_terminator_val_y_2 -0.23
_LACS_plot.Y_axis_chem_shift_offset 2.38
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
102 GLU 0.30 -47.06 0
10 ASP 0.73 -2.16 1
12 LEU 3.89 -2.03 1
14 ARG 4.63 -1.48 1
15 LEU 3.89 -1.86 1
17 THR 6.16 -0.54 1
18 TYR 5.56 -0.54 1
19 LEU 3.67 -0.32 1
20 GLU 1.88 -2.58 1
21 GLU 0.56 -1.44 1
22 LEU 1.14 -1.87 1
23 GLU -1.35 -1.61 1
24 ALA 5.78 1.43 1
25 VAL 4.57 -1.27 1
26 GLU 1.19 -1.10 1
27 LEU 5.05 -1.87 1
28 LYS 5.47 -0.63 1
29 LYS 4.32 -1.06 1
30 PHE 3.33 -2.46 1
31 LYS 2.71 -0.66 1
32 LEU 3.43 -0.11 1
33 TYR 4.87 -0.64 1
34 LEU 2.74 -1.92 1
36 THR -0.53 -2.57 1
37 ALA 1.17 -2.06 1
38 THR 1.55 -1.34 1
39 GLU 2.11 -2.63 1
40 LEU 0.43 -2.32 1
42 GLU 0.73 -2.44 1
44 LYS 0.18 -3.25 1
45 ILE -0.87 -3.75 1
47 TRP 3.09 -0.45 1
50 MET -1.06 -1.69 1
51 GLU 4.64 -1.67 1
52 LYS 0.40 -3.14 1
53 ALA 0.02 -2.12 1
56 LEU 4.82 -1.33 1
57 GLU 3.95 0.52 1
58 MET 2.16 -1.44 1
59 ALA 3.59 0.61 1
60 GLN 4.12 0.00 1
61 LEU 3.20 -0.93 1
62 LEU 3.43 -1.49 1
63 ILE 5.58 0.29 1
64 THR 5.93 -1.81 1
65 HIS 3.73 -0.26 1
66 PHE -0.35 -1.43 1
69 GLU 4.41 0.11 1
70 GLU 2.34 1.68 1
71 ALA 2.79 -2.04 1
72 TRP 1.14 -2.66 1
73 ARG 4.86 0.93 1
74 LEU 2.51 -0.29 1
75 ALA 4.39 -3.16 1
76 LEU 4.59 -1.05 1
79 PHE 3.56 -0.57 1
80 GLU 4.64 -0.56 1
81 ARG 2.56 -1.04 1
82 ILE 1.20 -4.48 1
83 ASN 3.77 -2.82 1
84 ARG -0.45 -1.97 1
87 LEU 2.74 -1.56 1
88 TRP 5.06 -1.58 1
89 GLU 3.49 0.09 1
90 ARG 3.24 0.44 1
92 GLN 2.74 -1.03 1
93 ARG 1.41 -1.56 1
94 GLU 1.42 -2.29 1
97 VAL 1.35 -2.79 1
98 ARG -0.20 -3.05 1
100 THR -0.29 -3.17 1
101 VAL 0.20 -3.77 1
stop_
save_