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 bmr5779_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.19
_LACS_plot.Line_1_terminator_val_y_1 -3.01
_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 -0.67
_LACS_plot.Line_2_terminator_val_x_2 6.32
_LACS_plot.Line_2_terminator_val_y_2 4.99
_LACS_plot.Y_axis_chem_shift_offset -0.70
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
97 HIS 2.32 4.76 0
43 GLN -3.48 1.47 0
10 LYS -1.10 -0.35 1
11 LEU -0.04 1.04 1
12 ASP 0.40 0.16 1
14 ASP 4.65 3.66 1
15 THR 6.32 4.82 1
16 ALA 4.22 3.38 1
17 ILE 5.44 5.10 1
18 ASP 4.03 3.60 1
19 ILE 3.75 3.98 1
20 ALA 2.94 2.46 1
21 TYR 4.04 3.69 1
22 ASP 3.70 3.51 1
23 ILE 5.83 4.51 1
24 PHE 6.02 5.89 1
25 LEU 3.09 2.57 1
26 GLU 2.18 2.42 1
27 MET -1.70 1.80 1
28 ALA 5.88 4.13 1
30 GLU -2.09 -0.68 1
31 ASN -0.52 1.85 1
32 LEU -2.79 -1.44 1
33 ASP -0.31 1.39 1
35 ALA 3.40 3.11 1
36 ASP 2.47 3.44 1
37 ILE 4.47 3.10 1
38 LEU 4.28 3.69 1
39 LEU 3.66 3.72 1
40 PHE 5.21 4.59 1
41 ASN 3.87 3.32 1
42 LEU 0.95 2.20 1
44 PHE 5.34 5.12 1
45 GLU 3.83 3.09 1
46 GLU 1.00 1.38 1
47 ARG -1.04 -0.58 1
50 VAL -1.15 -0.47 1
51 GLU -5.61 -1.61 1
52 PHE -1.03 0.06 1
53 VAL -5.37 -3.19 1
54 GLU 0.48 0.40 1
55 THR 2.05 1.27 1
56 ALA -1.25 0.44 1
57 ASP -0.60 0.33 1
58 ASP 0.10 -0.79 1
59 TRP 5.02 4.24 1
60 GLU 3.53 3.26 1
61 GLU 2.31 2.15 1
62 GLU 0.18 1.54 1
63 ILE -0.62 0.51 1
65 VAL -4.71 -2.38 1
66 LEU 1.43 0.69 1
67 ILE -4.19 -3.33 1
68 ASP -2.64 -1.60 1
70 GLU 0.78 1.08 1
71 GLU -0.92 0.63 1
72 TYR -5.93 -0.64 1
73 ALA -5.36 -2.48 1
74 GLU -4.16 -1.53 1
75 VAL -6.90 -2.40 1
76 TRP -7.19 -3.11 1
77 VAL -2.86 -1.05 1
79 LEU -3.50 -1.93 1
80 VAL -2.66 -1.53 1
81 ASN -2.03 -1.72 1
82 GLU 3.21 2.63 1
83 GLN 1.39 0.09 1
84 ASP 3.72 2.19 1
85 GLU -3.69 -2.15 1
86 MET 1.65 0.88 1
87 ASP -0.95 -0.02 1
88 ASP -1.43 -0.50 1
89 VAL 0.95 0.75 1
90 PHE 0.82 1.94 1
91 ALA -5.38 -0.42 1
92 LYS -4.28 -0.98 1
93 PHE -3.91 -0.31 1
94 LEU -3.82 -1.77 1
95 ILE -4.82 -1.35 1
96 SER 1.14 0.85 1
98 ARG 1.70 0.96 1
99 GLU -0.13 1.66 1
100 GLU 1.41 0.80 1
101 ASP 1.82 0.83 1
102 ARG 2.44 1.65 1
103 GLU -6.21 -2.20 1
104 PHE -5.94 -2.38 1
105 HIS -5.09 -0.16 1
106 VAL -4.47 -2.56 1
107 ILE -2.44 -0.83 1
108 TRP -3.10 -1.07 1
109 LYS 1.44 2.01 1
110 LYS 0.04 1.42 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5779_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.19
_LACS_plot.Line_1_terminator_val_y_1 4.18
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.27
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.33
_LACS_plot.Line_2_terminator_val_x_2 6.32
_LACS_plot.Line_2_terminator_val_y_2 -1.33
_LACS_plot.Y_axis_chem_shift_offset -0.70
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
97 HIS 2.32 2.44 0
43 GLN -3.48 4.95 0
10 LYS -1.10 0.75 1
11 LEU -0.04 1.08 1
12 ASP 0.40 -0.24 1
14 ASP 4.65 -0.99 1
15 THR 6.32 -1.50 1
16 ALA 4.22 -0.84 1
17 ILE 5.44 -0.34 1
18 ASP 4.03 -0.43 1
19 ILE 3.75 0.23 1
20 ALA 2.94 -0.48 1
21 TYR 4.04 -0.35 1
22 ASP 3.70 -0.19 1
23 ILE 5.83 -1.32 1
24 PHE 6.02 -0.13 1
25 LEU 3.09 -0.52 1
26 GLU 2.18 0.24 1
27 MET -1.70 3.50 1
28 ALA 5.88 -1.75 1
30 GLU -2.09 1.41 1
31 ASN -0.52 2.37 1
32 LEU -2.79 1.35 1
33 ASP -0.31 1.70 1
35 ALA 3.40 -0.29 1
36 ASP 2.47 0.97 1
37 ILE 4.47 -1.37 1
38 LEU 4.28 -0.59 1
39 LEU 3.66 0.06 1
40 PHE 5.21 -0.62 1
41 ASN 3.87 -0.55 1
42 LEU 0.95 1.25 1
44 PHE 5.34 -0.22 1
45 GLU 3.83 -0.74 1
46 GLU 1.00 0.38 1
47 ARG -1.04 0.46 1
50 VAL -1.15 0.68 1
51 GLU -5.61 4.00 1
52 PHE -1.03 1.09 1
53 VAL -5.37 2.18 1
54 GLU 0.48 -0.08 1
55 THR 2.05 -0.78 1
56 ALA -1.25 1.69 1
57 ASP -0.60 0.93 1
58 ASP 0.10 -0.89 1
59 TRP 5.02 -0.78 1
60 GLU 3.53 -0.27 1
61 GLU 2.31 -0.16 1
62 GLU 0.18 1.36 1
63 ILE -0.62 1.13 1
65 VAL -4.71 2.33 1
66 LEU 1.43 -0.74 1
67 ILE -4.19 0.86 1
68 ASP -2.64 1.04 1
70 GLU 0.78 0.30 1
71 GLU -0.92 1.55 1
72 TYR -5.93 5.29 1
73 ALA -5.36 2.88 1
74 GLU -4.16 2.63 1
75 VAL -6.90 4.50 1
76 TRP -7.19 4.08 1
77 VAL -2.86 1.81 1
79 LEU -3.50 1.57 1
80 VAL -2.66 1.13 1
81 ASN -2.03 0.31 1
82 GLU 3.21 -0.58 1
83 GLN 1.39 -1.30 1
84 ASP 3.72 -1.53 1
85 GLU -3.69 1.54 1
86 MET 1.65 -0.77 1
87 ASP -0.95 0.93 1
88 ASP -1.43 0.93 1
89 VAL 0.95 -0.20 1
90 PHE 0.82 1.12 1
91 ALA -5.38 4.96 1
92 LYS -4.28 3.30 1
93 PHE -3.91 3.60 1
94 LEU -3.82 2.05 1
95 ILE -4.82 3.47 1
96 SER 1.14 -0.29 1
98 ARG 1.70 -0.74 1
99 GLU -0.13 1.79 1
100 GLU 1.41 -0.61 1
101 ASP 1.82 -0.99 1
102 ARG 2.44 -0.79 1
103 GLU -6.21 4.01 1
104 PHE -5.94 3.56 1
105 HIS -5.09 4.93 1
106 VAL -4.47 1.91 1
107 ILE -2.44 1.61 1
108 TRP -3.10 2.03 1
109 LYS 1.44 0.57 1
110 LYS 0.04 1.38 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5779_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.19
_LACS_plot.Line_1_terminator_val_y_1 0.77
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.17
_LACS_plot.Line_2_terminator_val_x_2 6.32
_LACS_plot.Line_2_terminator_val_y_2 -0.64
_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
50 VAL -1.15 1.03 0
74 GLU -4.16 1.38 0
20 ALA 2.94 -1.30 0
10 LYS -1.10 -0.70 1
11 LEU -0.04 -0.16 1
12 ASP 0.40 -0.27 1
14 ASP 4.65 -0.36 1
15 THR 6.32 -0.34 1
16 ALA 4.22 -0.50 1
17 ILE 5.44 -0.64 1
18 ASP 4.03 -0.22 1
19 ILE 3.75 -0.48 1
21 TYR 4.04 -0.47 1
22 ASP 3.70 -0.34 1
23 ILE 5.83 -0.55 1
24 PHE 6.02 -0.55 1
25 LEU 3.09 -0.66 1
26 GLU 2.18 -0.27 1
27 MET -1.70 0.03 1
28 ALA 5.88 -1.20 1
30 GLU -2.09 -0.04 1
31 ASN -0.52 -0.37 1
32 LEU -2.79 0.24 1
33 ASP -0.31 -0.23 1
35 ALA 3.40 -0.13 1
36 ASP 2.47 0.34 1
37 ILE 4.47 -0.50 1
38 LEU 4.28 -0.14 1
39 LEU 3.66 -0.16 1
40 PHE 5.21 -0.61 1
41 ASN 3.87 -0.35 1
42 LEU 0.95 0.03 1
43 GLN -3.48 0.39 1
44 PHE 5.34 -0.95 1
45 GLU 3.83 -0.41 1
46 GLU 1.00 -0.09 1
47 ARG -1.04 0.40 1
51 GLU -5.61 0.49 1
52 PHE -1.03 0.28 1
53 VAL -5.37 0.20 1
54 GLU 0.48 -0.30 1
55 THR 2.05 0.23 1
56 ALA -1.25 0.03 1
57 ASP -0.60 0.12 1
58 ASP 0.10 0.25 1
59 TRP 5.02 -0.60 1
60 GLU 3.53 -0.32 1
61 GLU 2.31 -0.38 1
62 GLU 0.18 -0.01 1
63 ILE -0.62 0.43 1
65 VAL -4.71 0.16 1
66 LEU 1.43 -0.23 1
67 ILE -4.19 0.07 1
68 ASP -2.64 0.15 1
70 GLU 0.78 -0.10 1
71 GLU -0.92 0.01 1
72 TYR -5.93 -0.03 1
73 ALA -5.36 0.43 1
75 VAL -6.90 1.04 1
76 TRP -7.19 1.34 1
77 VAL -2.86 0.92 1
79 LEU -3.50 0.77 1
80 VAL -2.66 0.67 1
81 ASN -2.03 0.11 1
82 GLU 3.21 -0.19 1
83 GLN 1.39 0.10 1
84 ASP 3.72 -0.49 1
85 GLU -3.69 0.13 1
86 MET 1.65 0.23 1
87 ASP -0.95 0.00 1
88 ASP -1.43 0.10 1
89 VAL 0.95 -0.13 1
90 PHE 0.82 0.09 1
91 ALA -5.38 0.50 1
92 LYS -4.28 0.81 1
93 PHE -3.91 0.59 1
94 LEU -3.82 0.99 1
95 ILE -4.82 0.59 1
96 SER 1.14 -0.66 1
97 HIS 2.32 -0.37 1
98 ARG 1.70 -0.27 1
99 GLU -0.13 -0.41 1
100 GLU 1.41 -0.28 1
101 ASP 1.82 -0.36 1
102 ARG 2.44 -0.59 1
103 GLU -6.21 0.32 1
104 PHE -5.94 1.13 1
105 HIS -5.09 -0.01 1
106 VAL -4.47 0.87 1
107 ILE -2.44 0.05 1
108 TRP -3.10 0.17 1
109 LYS 1.44 -0.24 1
110 LYS 0.04 0.04 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5779_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.19
_LACS_plot.Line_1_terminator_val_y_1 -2.88
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.25
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.19
_LACS_plot.Line_2_terminator_val_x_2 6.32
_LACS_plot.Line_2_terminator_val_y_2 1.68
_LACS_plot.Y_axis_chem_shift_offset 0.46
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
14 ASP 4.65 -2.18 0
97 HIS 2.32 4.11 0
10 LYS -1.10 0.51 1
11 LEU -0.04 -1.80 1
15 THR 6.32 0.90 1
16 ALA 4.22 0.03 1
17 ILE 5.44 -0.14 1
18 ASP 4.03 2.43 1
19 ILE 3.75 1.26 1
20 ALA 2.94 0.08 1
21 TYR 4.04 0.19 1
22 ASP 3.70 2.91 1
23 ILE 5.83 1.27 1
24 PHE 6.02 0.30 1
25 LEU 3.09 2.09 1
26 GLU 2.18 1.43 1
27 MET -1.70 1.57 1
28 ALA 5.88 0.95 1
30 GLU -2.09 -0.83 1
31 ASN -0.52 -2.34 1
32 LEU -2.79 -2.01 1
35 ALA 3.40 2.69 1
36 ASP 2.47 1.28 1
37 ILE 4.47 0.87 1
38 LEU 4.28 0.69 1
39 LEU 3.66 1.02 1
40 PHE 5.21 1.21 1
41 ASN 3.87 2.70 1
42 LEU 0.95 -0.23 1
44 PHE 5.34 1.50 1
46 GLU 1.00 2.77 1
47 ARG -1.04 -2.37 1
50 VAL -1.15 -1.65 1
51 GLU -5.61 -3.07 1
52 PHE -1.03 -1.79 1
53 VAL -5.37 -2.86 1
54 GLU 0.48 -0.85 1
55 THR 2.05 -0.15 1
56 ALA -1.25 -0.62 1
57 ASP -0.60 1.03 1
58 ASP 0.10 0.98 1
59 TRP 5.02 1.89 1
60 GLU 3.53 2.01 1
61 GLU 2.31 0.41 1
62 GLU 0.18 1.10 1
63 ILE -0.62 0.63 1
65 VAL -4.71 -3.61 1
66 LEU 1.43 -1.83 1
67 ILE -4.19 -1.70 1
70 GLU 0.78 0.83 1
71 GLU -0.92 -0.77 1
72 TYR -5.93 -3.01 1
73 ALA -5.36 -3.34 1
74 GLU -4.16 -2.82 1
75 VAL -6.90 -1.47 1
76 TRP -7.19 -1.24 1
77 VAL -2.86 -0.48 1
79 LEU -3.50 -2.12 1
80 VAL -2.66 0.13 1
81 ASN -2.03 1.94 1
82 GLU 3.21 -0.08 1
83 GLN 1.39 -1.74 1
84 ASP 3.72 1.66 1
85 GLU -3.69 -1.24 1
86 MET 1.65 -2.11 1
87 ASP -0.95 -0.99 1
88 ASP -1.43 -2.44 1
89 VAL 0.95 -0.45 1
90 PHE 0.82 -0.92 1
91 ALA -5.38 -3.74 1
92 LYS -4.28 -3.15 1
93 PHE -3.91 -1.42 1
94 LEU -3.82 -1.07 1
95 ILE -4.82 -0.75 1
96 SER 1.14 -0.69 1
99 GLU -0.13 0.42 1
100 GLU 1.41 -0.95 1
101 ASP 1.82 -1.17 1
102 ARG 2.44 -1.02 1
103 GLU -6.21 -3.30 1
104 PHE -5.94 -2.65 1
105 HIS -5.09 -1.13 1
106 VAL -4.47 -3.10 1
107 ILE -2.44 -1.57 1
108 TRP -3.10 -0.18 1
109 LYS 1.44 -1.76 1
stop_
save_