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 bmr10042_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 -2.49
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.89
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.11
_LACS_plot.Line_2_terminator_val_x_2 6.11
_LACS_plot.Line_2_terminator_val_y_2 4.37
_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
80 THR 6.11 3.94 0
28 TYR 4.57 4.27 0
41 VAL 4.83 0.93 0
10 ASN -0.00 0.03 1
12 ASP 0.99 0.79 1
13 SER -0.50 -0.38 1
14 TYR 0.62 0.55 1
15 ASN 0.61 0.37 1
17 ALA -2.18 -0.63 1
18 VAL 0.20 0.27 1
19 ARG -1.77 -1.91 1
20 GLU 1.56 1.66 1
21 ASN 0.34 0.11 1
22 TYR -1.93 -1.03 1
23 THR -3.28 -1.01 1
24 TRP -5.49 -2.07 1
25 SER -4.26 -1.51 1
26 GLN -5.12 -0.86 1
27 ASP -2.15 -1.14 1
29 THR -0.71 0.42 1
30 ASP -4.55 0.19 1
31 LEU -2.88 -0.47 1
32 GLU -3.82 -1.17 1
33 VAL -2.62 -1.19 1
34 ARG -2.02 -0.93 1
35 VAL -1.97 -0.80 1
37 VAL -3.20 -2.85 1
39 LYS 2.73 2.52 1
40 HIS 0.13 1.35 1
42 VAL -2.25 -1.47 1
43 LYS -4.49 -1.78 1
45 LYS 2.41 1.20 1
46 GLN -1.50 1.67 1
47 VAL -5.11 -2.54 1
48 SER -3.67 -2.41 1
49 VAL -2.10 -1.08 1
50 ALA -3.37 -1.82 1
51 LEU -4.24 -1.25 1
52 SER -3.93 -1.23 1
53 SER 2.71 2.81 1
54 SER -3.22 -0.99 1
55 SER -2.88 0.28 1
56 ILE -5.77 -1.98 1
57 ARG -2.52 0.25 1
58 VAL -1.91 -0.86 1
59 ALA -6.56 -2.07 1
60 MET -5.33 -1.73 1
61 LEU 0.64 0.23 1
62 GLU -4.58 -1.90 1
63 GLU 3.78 3.07 1
64 ASN -0.10 -0.17 1
66 GLU -3.66 -1.11 1
67 ARG -3.21 -1.42 1
68 VAL 3.71 2.67 1
69 LEU -0.46 0.46 1
70 MET -2.28 0.31 1
71 GLU -3.69 -1.07 1
73 LYS -1.77 -1.45 1
74 LEU -2.74 -1.20 1
75 THR 3.37 2.08 1
76 HIS -4.56 -1.77 1
77 LYS -0.92 0.06 1
78 ILE -6.09 -2.34 1
79 ASN -1.49 -2.00 1
81 GLU 2.83 2.25 1
82 SER -1.58 -0.93 1
83 SER 0.42 1.22 1
84 LEU -2.50 0.20 1
85 TRP -6.54 -2.41 1
86 SER -2.68 -0.88 1
87 LEU -3.96 -1.29 1
88 GLU -0.80 -0.74 1
91 LYS -1.40 1.46 1
93 VAL -0.22 0.39 1
94 LEU -2.42 -1.22 1
95 VAL -1.68 -0.93 1
96 ASN -1.81 0.15 1
97 LEU -3.65 -2.63 1
98 SER -1.04 -1.60 1
99 LYS 1.77 2.80 1
100 VAL 2.26 1.28 1
102 GLU 0.24 -0.83 1
103 TYR -1.93 -0.71 1
104 TRP -0.26 -0.69 1
105 TRP 1.08 0.51 1
106 ASN -1.03 0.08 1
107 ALA -3.40 -0.91 1
108 ILE 3.18 0.09 1
109 LEU -5.48 -3.23 1
110 GLU 1.29 1.16 1
112 GLU -1.72 -0.59 1
113 GLU -0.32 0.45 1
115 ILE -0.61 0.01 1
116 ASP -0.48 -0.25 1
117 ILE -0.72 -0.15 1
118 ASP -0.07 0.25 1
119 SER -0.05 0.18 1
122 SER -0.12 0.03 1
123 SER -0.13 0.06 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10042_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 4.07
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.11
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.89
_LACS_plot.Line_2_terminator_val_x_2 6.11
_LACS_plot.Line_2_terminator_val_y_2 -1.74
_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
80 THR 6.11 -2.17 0
28 TYR 4.57 -0.30 0
41 VAL 4.83 -3.90 0
10 ASN -0.00 0.03 1
12 ASP 0.99 -0.20 1
13 SER -0.50 0.12 1
14 TYR 0.62 -0.07 1
15 ASN 0.61 -0.24 1
17 ALA -2.18 1.55 1
18 VAL 0.20 0.07 1
19 ARG -1.77 -0.14 1
20 GLU 1.56 0.10 1
21 ASN 0.34 -0.23 1
22 TYR -1.93 0.90 1
23 THR -3.28 2.27 1
24 TRP -5.49 3.42 1
25 SER -4.26 2.75 1
26 GLN -5.12 4.26 1
27 ASP -2.15 1.01 1
29 THR -0.71 1.13 1
30 ASP -4.55 4.74 1
31 LEU -2.88 2.41 1
32 GLU -3.82 2.65 1
33 VAL -2.62 1.43 1
34 ARG -2.02 1.09 1
35 VAL -1.97 1.17 1
37 VAL -3.20 0.35 1
39 LYS 2.73 -0.21 1
40 HIS 0.13 1.22 1
42 VAL -2.25 0.78 1
43 LYS -4.49 2.71 1
45 LYS 2.41 -1.21 1
46 GLN -1.50 3.17 1
47 VAL -5.11 2.57 1
48 SER -3.67 1.26 1
49 VAL -2.10 1.02 1
50 ALA -3.37 1.55 1
51 LEU -4.24 2.99 1
52 SER -3.93 2.70 1
53 SER 2.71 0.10 1
54 SER -3.22 2.23 1
55 SER -2.88 3.16 1
56 ILE -5.77 3.79 1
57 ARG -2.52 2.77 1
58 VAL -1.91 1.05 1
59 ALA -6.56 4.49 1
60 MET -5.33 3.60 1
61 LEU 0.64 -0.41 1
62 GLU -4.58 2.68 1
63 GLU 3.78 -0.71 1
64 ASN -0.10 -0.07 1
66 GLU -3.66 2.55 1
67 ARG -3.21 1.79 1
68 VAL 3.71 -1.04 1
69 LEU -0.46 0.92 1
70 MET -2.28 2.59 1
71 GLU -3.69 2.62 1
73 LYS -1.77 0.32 1
74 LEU -2.74 1.54 1
75 THR 3.37 -1.29 1
76 HIS -4.56 2.79 1
77 LYS -0.92 0.98 1
78 ILE -6.09 3.75 1
79 ASN -1.49 -0.51 1
81 GLU 2.83 -0.58 1
82 SER -1.58 0.65 1
83 SER 0.42 0.80 1
84 LEU -2.50 2.70 1
85 TRP -6.54 4.13 1
86 SER -2.68 1.80 1
87 LEU -3.96 2.67 1
88 GLU -0.80 0.06 1
91 LYS -1.40 2.86 1
93 VAL -0.22 0.61 1
94 LEU -2.42 1.20 1
95 VAL -1.68 0.75 1
96 ASN -1.81 1.96 1
97 LEU -3.65 1.02 1
98 SER -1.04 -0.56 1
99 LYS 1.77 1.03 1
100 VAL 2.26 -0.98 1
102 GLU 0.24 -1.07 1
103 TYR -1.93 1.22 1
104 TRP -0.26 -0.43 1
105 TRP 1.08 -0.57 1
106 ASN -1.03 1.11 1
107 ALA -3.40 2.49 1
108 ILE 3.18 -3.09 1
109 LEU -5.48 2.25 1
110 GLU 1.29 -0.13 1
112 GLU -1.72 1.13 1
113 GLU -0.32 0.77 1
115 ILE -0.61 0.62 1
116 ASP -0.48 0.23 1
117 ILE -0.72 0.57 1
118 ASP -0.07 0.32 1
119 SER -0.05 0.23 1
122 SER -0.12 0.15 1
123 SER -0.13 0.19 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10042_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 0.95
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.35
_LACS_plot.Line_2_terminator_val_x_2 6.11
_LACS_plot.Line_2_terminator_val_y_2 -0.69
_LACS_plot.Y_axis_chem_shift_offset -0.10
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
76 HIS -4.56 -0.49 0
10 ASN -0.00 -0.12 1
12 ASP 0.99 -0.14 1
13 SER -0.50 0.04 1
14 TYR 0.62 -0.06 1
15 ASN 0.61 -0.25 1
17 ALA -2.18 0.04 1
18 VAL 0.20 0.05 1
19 ARG -1.77 0.26 1
20 GLU 1.56 -0.23 1
21 ASN 0.34 0.07 1
22 TYR -1.93 0.78 1
23 THR -3.28 0.73 1
24 TRP -5.49 1.43 1
25 SER -4.26 -0.01 1
26 GLN -5.12 0.97 1
27 ASP -2.15 0.22 1
28 TYR 4.57 -0.48 1
29 THR -0.71 0.21 1
30 ASP -4.55 1.02 1
31 LEU -2.88 0.69 1
32 GLU -3.82 0.78 1
33 VAL -2.62 0.74 1
34 ARG -2.02 0.93 1
35 VAL -1.97 0.33 1
37 VAL -3.20 0.37 1
39 LYS 2.73 -0.26 1
40 HIS 0.13 -0.07 1
41 VAL 4.83 -0.28 1
42 VAL -2.25 0.25 1
43 LYS -4.49 0.49 1
45 LYS 2.41 0.15 1
46 GLN -1.50 0.00 1
47 VAL -5.11 0.85 1
48 SER -3.67 0.13 1
49 VAL -2.10 0.34 1
50 ALA -3.37 0.44 1
51 LEU -4.24 0.69 1
52 SER -3.93 0.33 1
53 SER 2.71 -0.13 1
54 SER -3.22 0.49 1
55 SER -2.88 0.76 1
56 ILE -5.77 0.87 1
57 ARG -2.52 0.54 1
58 VAL -1.91 0.65 1
59 ALA -6.56 0.80 1
60 MET -5.33 0.84 1
61 LEU 0.64 0.16 1
62 GLU -4.58 0.39 1
63 GLU 3.78 -0.37 1
64 ASN -0.10 0.10 1
66 GLU -3.66 0.58 1
67 ARG -3.21 0.32 1
68 VAL 3.71 -0.46 1
69 LEU -0.46 0.15 1
70 MET -2.28 0.01 1
71 GLU -3.69 0.76 1
73 LYS -1.77 0.26 1
74 LEU -2.74 0.60 1
75 THR 3.37 -0.96 1
77 LYS -0.92 0.68 1
78 ILE -6.09 1.00 1
79 ASN -1.49 0.21 1
80 THR 6.11 -0.75 1
81 GLU 2.83 -0.13 1
82 SER -1.58 0.24 1
83 SER 0.42 0.49 1
84 LEU -2.50 0.50 1
85 TRP -6.54 1.28 1
86 SER -2.68 -0.24 1
87 LEU -3.96 0.70 1
88 GLU -0.80 0.37 1
91 LYS -1.40 0.34 1
93 VAL -0.22 0.38 1
94 LEU -2.42 0.80 1
95 VAL -1.68 0.56 1
96 ASN -1.81 0.70 1
97 LEU -3.65 0.28 1
98 SER -1.04 0.46 1
99 LYS 1.77 -0.27 1
100 VAL 2.26 0.05 1
102 GLU 0.24 0.00 1
103 TYR -1.93 -0.10 1
104 TRP -0.26 -0.08 1
105 TRP 1.08 0.10 1
106 ASN -1.03 0.39 1
107 ALA -3.40 0.14 1
108 ILE 3.18 -0.13 1
109 LEU -5.48 0.82 1
110 GLU 1.29 -0.43 1
112 GLU -1.72 -0.07 1
113 GLU -0.32 -0.12 1
115 ILE -0.61 0.16 1
116 ASP -0.48 0.07 1
117 ILE -0.72 0.01 1
118 ASP -0.07 0.03 1
119 SER -0.05 -0.01 1
122 SER -0.12 0.03 1
123 SER -0.13 0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10042_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 -2.56
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.06
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.26
_LACS_plot.Line_2_terminator_val_x_2 6.11
_LACS_plot.Line_2_terminator_val_y_2 1.35
_LACS_plot.Y_axis_chem_shift_offset 0.63
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
41 VAL 4.83 -2.55 0
10 ASN -0.00 0.11 1
12 ASP 0.99 -0.21 1
13 SER -0.50 -0.26 1
14 TYR 0.62 -0.27 1
15 ASN 0.61 -1.00 1
17 ALA -2.18 -1.56 1
18 VAL 0.20 -0.34 1
19 ARG -1.77 -0.35 1
20 GLU 1.56 0.41 1
21 ASN 0.34 -1.16 1
22 TYR -1.93 -2.53 1
23 THR -3.28 -1.83 1
24 TRP -5.49 -2.77 1
25 SER -4.26 -1.77 1
26 GLN -5.12 -2.96 1
27 ASP -2.15 0.28 1
28 TYR 4.57 0.40 1
29 THR -0.71 -0.11 1
30 ASP -4.55 -2.07 1
31 LEU -2.88 -1.96 1
32 GLU -3.82 -1.59 1
33 VAL -2.62 -2.09 1
34 ARG -2.02 -0.83 1
35 VAL -1.97 -1.30 1
37 VAL -3.20 -2.12 1
39 LYS 2.73 -0.44 1
40 HIS 0.13 1.80 1
42 VAL -2.25 -1.55 1
43 LYS -4.49 0.41 1
45 LYS 2.41 0.79 1
46 GLN -1.50 -1.55 1
47 VAL -5.11 -2.81 1
48 SER -3.67 -1.33 1
49 VAL -2.10 -2.21 1
50 ALA -3.37 -2.02 1
51 LEU -4.24 -1.77 1
52 SER -3.93 -2.01 1
53 SER 2.71 -0.72 1
54 SER -3.22 0.03 1
55 SER -2.88 -4.95 1
56 ILE -5.77 -4.37 1
57 ARG -2.52 -1.80 1
58 VAL -1.91 -2.50 1
59 ALA -6.56 -3.56 1
60 MET -5.33 -2.07 1
61 LEU 0.64 -1.11 1
62 GLU -4.58 -0.11 1
63 GLU 3.78 0.72 1
64 ASN -0.10 -0.58 1
66 GLU -3.66 -1.07 1
67 ARG -3.21 -0.96 1
68 VAL 3.71 -0.61 1
69 LEU -0.46 -0.67 1
70 MET -2.28 -3.29 1
71 GLU -3.69 -2.96 1
73 LYS -1.77 -0.58 1
74 LEU -2.74 1.56 1
75 THR 3.37 -0.87 1
76 HIS -4.56 -2.45 1
77 LYS -0.92 0.92 1
78 ILE -6.09 -0.52 1
79 ASN -1.49 2.62 1
80 THR 6.11 1.93 1
81 GLU 2.83 0.93 1
82 SER -1.58 -0.83 1
83 SER 0.42 -2.63 1
84 LEU -2.50 -3.60 1
85 TRP -6.54 -1.77 1
86 SER -2.68 -2.56 1
87 LEU -3.96 -1.57 1
88 GLU -0.80 -0.79 1
91 LYS -1.40 -0.46 1
93 VAL -0.22 -2.36 1
94 LEU -2.42 -2.14 1
95 VAL -1.68 -2.14 1
96 ASN -1.81 -1.46 1
97 LEU -3.65 -2.57 1
98 SER -1.04 0.55 1
99 LYS 1.77 0.77 1
100 VAL 2.26 0.35 1
102 GLU 0.24 -1.22 1
103 TYR -1.93 -0.79 1
104 TRP -0.26 0.65 1
105 TRP 1.08 0.30 1
106 ASN -1.03 -1.37 1
107 ALA -3.40 -2.02 1
108 ILE 3.18 -0.86 1
109 LEU -5.48 0.93 1
110 GLU 1.29 1.18 1
112 GLU -1.72 -0.47 1
113 GLU -0.32 -0.96 1
115 ILE -0.61 -0.63 1
116 ASP -0.48 -0.30 1
117 ILE -0.72 -0.71 1
118 ASP -0.07 -0.11 1
119 SER -0.05 0.18 1
122 SER -0.12 0.11 1
123 SER -0.13 -0.66 1
stop_
save_