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 bmr11329_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 -3.10
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.35
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.43
_LACS_plot.Line_2_terminator_val_x_2 7.01
_LACS_plot.Line_2_terminator_val_y_2 5.60
_LACS_plot.Y_axis_chem_shift_offset -0.21
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
56 ILE 0.94 -3.75 0
10 ASN 0.78 0.52 1
13 LYS 4.11 3.36 1
14 LEU 2.94 2.30 1
15 THR 7.01 6.37 1
16 LYS 4.23 3.68 1
17 GLN 4.12 3.48 1
18 MET 4.69 5.66 1
19 ASN 3.38 3.29 1
20 ALA 3.98 2.90 1
21 ILE 4.55 4.32 1
22 ILE 2.28 -0.33 1
23 ASP 5.43 3.61 1
24 THR 6.73 5.29 1
25 VAL 5.01 4.00 1
26 ILE 4.86 4.05 1
27 ASN 0.86 0.70 1
28 TYR 4.17 3.37 1
29 LYS -6.40 -2.92 1
30 ASP -2.41 -2.21 1
31 SER 3.99 2.98 1
32 SER -0.20 0.50 1
34 ARG -0.47 0.58 1
35 GLN 0.09 -0.56 1
36 LEU 3.72 3.98 1
37 SER 2.93 2.25 1
38 GLU 4.17 4.74 1
39 VAL 2.91 1.34 1
40 PHE -2.56 -0.90 1
41 ILE 6.21 4.05 1
42 GLN -5.07 -2.27 1
43 LEU 0.55 0.75 1
45 SER -1.44 -0.58 1
46 ARG 4.28 3.12 1
47 LYS 2.04 1.68 1
48 GLU 0.05 1.06 1
49 LEU -3.32 -1.14 1
51 GLU 3.89 2.83 1
52 TYR 4.00 3.98 1
53 TYR 2.53 2.01 1
54 GLU 1.06 1.06 1
55 LEU -0.79 1.15 1
57 ARG 1.88 1.45 1
58 LYS -1.74 -1.08 1
60 VAL -1.44 0.48 1
61 ASP -3.44 -1.86 1
62 PHE 6.38 5.87 1
63 LYS 5.78 4.73 1
64 LYS 3.37 2.09 1
65 ILE 4.36 4.03 1
66 LYS 6.24 4.30 1
67 GLU 3.14 2.95 1
68 ARG 5.04 4.04 1
69 ILE 4.71 5.19 1
70 ARG 3.84 3.09 1
71 ASN -0.03 -0.80 1
72 HIS 2.95 1.84 1
73 LYS 2.03 0.64 1
74 TYR -3.50 -2.98 1
75 ARG -0.80 -2.26 1
76 SER -4.36 -1.93 1
77 LEU 4.20 2.61 1
79 ASP 3.12 3.11 1
80 LEU 2.89 2.21 1
81 GLU 3.03 2.93 1
82 LYS 4.83 4.00 1
83 ASP 2.97 2.13 1
84 VAL 6.42 4.54 1
85 MET 3.95 1.75 1
86 LEU 3.24 3.03 1
87 LEU 5.69 5.32 1
89 HIS 3.75 4.51 1
90 ASN 3.87 2.36 1
91 ALA 3.09 2.94 1
92 GLN 3.00 1.23 1
93 THR 3.75 3.01 1
94 PHE 1.56 3.07 1
95 ASN -3.04 -0.78 1
96 LEU -0.88 -0.38 1
97 GLU 2.15 1.11 1
99 SER -1.25 0.10 1
100 GLN 3.25 3.79 1
101 ILE 4.76 4.65 1
102 TYR 2.57 4.15 1
103 GLU 3.94 3.00 1
104 ASP 4.24 3.40 1
105 SER 4.96 4.17 1
106 ILE 4.19 2.68 1
107 VAL 5.83 4.40 1
108 LEU 4.44 3.21 1
109 GLN 4.92 4.61 1
110 SER 4.17 3.32 1
111 VAL 5.42 3.97 1
112 PHE 5.97 4.90 1
113 LYS 4.83 3.88 1
114 SER 3.93 2.97 1
115 ALA 2.30 1.66 1
116 ARG 3.51 1.98 1
117 GLN 1.33 0.93 1
118 SER 0.43 0.66 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11329_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 3.30
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.65
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.57
_LACS_plot.Line_2_terminator_val_x_2 7.01
_LACS_plot.Line_2_terminator_val_y_2 -1.41
_LACS_plot.Y_axis_chem_shift_offset -0.21
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
56 ILE 0.94 -4.69 0
10 ASN 0.78 -0.26 1
13 LYS 4.11 -0.75 1
14 LEU 2.94 -0.64 1
15 THR 7.01 -0.64 1
16 LYS 4.23 -0.55 1
17 GLN 4.12 -0.64 1
18 MET 4.69 0.97 1
19 ASN 3.38 -0.09 1
20 ALA 3.98 -1.08 1
21 ILE 4.55 -0.23 1
22 ILE 2.28 -2.61 1
23 ASP 5.43 -1.82 1
24 THR 6.73 -1.44 1
25 VAL 5.01 -1.01 1
26 ILE 4.86 -0.81 1
27 ASN 0.86 -0.16 1
28 TYR 4.17 -0.80 1
29 LYS -6.40 3.48 1
30 ASP -2.41 0.20 1
31 SER 3.99 -1.01 1
32 SER -0.20 0.70 1
34 ARG -0.47 1.05 1
35 GLN 0.09 -0.65 1
36 LEU 3.72 0.26 1
37 SER 2.93 -0.68 1
38 GLU 4.17 0.57 1
39 VAL 2.91 -1.57 1
40 PHE -2.56 1.66 1
41 ILE 6.21 -2.16 1
42 GLN -5.07 2.80 1
43 LEU 0.55 0.20 1
45 SER -1.44 0.86 1
46 ARG 4.28 -1.16 1
47 LYS 2.04 -0.36 1
48 GLU 0.05 1.01 1
49 LEU -3.32 2.18 1
51 GLU 3.89 -1.06 1
52 TYR 4.00 -0.02 1
53 TYR 2.53 -0.52 1
54 GLU 1.06 0.00 1
55 LEU -0.79 1.94 1
57 ARG 1.88 -0.43 1
58 LYS -1.74 0.66 1
60 VAL -1.44 1.92 1
61 ASP -3.44 1.58 1
62 PHE 6.38 -0.51 1
63 LYS 5.78 -1.05 1
64 LYS 3.37 -1.28 1
65 ILE 4.36 -0.33 1
66 LYS 6.24 -1.94 1
67 GLU 3.14 -0.19 1
68 ARG 5.04 -1.00 1
69 ILE 4.71 0.48 1
70 ARG 3.84 -0.75 1
71 ASN -0.03 -0.77 1
72 HIS 2.95 -1.11 1
73 LYS 2.03 -1.39 1
74 TYR -3.50 0.52 1
75 ARG -0.80 -1.46 1
76 SER -4.36 2.43 1
77 LEU 4.20 -1.59 1
79 ASP 3.12 -0.01 1
80 LEU 2.89 -0.68 1
81 GLU 3.03 -0.10 1
82 LYS 4.83 -0.83 1
83 ASP 2.97 -0.84 1
84 VAL 6.42 -1.88 1
85 MET 3.95 -2.20 1
86 LEU 3.24 -0.21 1
87 LEU 5.69 -0.37 1
89 HIS 3.75 0.76 1
90 ASN 3.87 -1.51 1
91 ALA 3.09 -0.15 1
92 GLN 3.00 -1.77 1
93 THR 3.75 -0.74 1
94 PHE 1.56 1.51 1
95 ASN -3.04 2.26 1
96 LEU -0.88 0.50 1
97 GLU 2.15 -1.04 1
99 SER -1.25 1.35 1
100 GLN 3.25 0.54 1
101 ILE 4.76 -0.11 1
102 TYR 2.57 1.58 1
103 GLU 3.94 -0.94 1
104 ASP 4.24 -0.84 1
105 SER 4.96 -0.79 1
106 ILE 4.19 -1.51 1
107 VAL 5.83 -1.43 1
108 LEU 4.44 -1.23 1
109 GLN 4.92 -0.31 1
110 SER 4.17 -0.85 1
111 VAL 5.42 -1.45 1
112 PHE 5.97 -1.07 1
113 LYS 4.83 -0.95 1
114 SER 3.93 -0.96 1
115 ALA 2.30 -0.64 1
116 ARG 3.51 -1.53 1
117 GLN 1.33 -0.40 1
118 SER 0.43 0.23 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11329_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 0.49
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.21
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.09
_LACS_plot.Line_2_terminator_val_x_2 7.01
_LACS_plot.Line_2_terminator_val_y_2 -0.58
_LACS_plot.Y_axis_chem_shift_offset 0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
97 GLU 2.15 -2.44 0
10 ASN 0.78 -0.08 1
13 LYS 4.11 -0.26 1
14 LEU 2.94 0.15 1
15 THR 7.01 -0.64 1
16 LYS 4.23 -0.16 1
17 GLN 4.12 -0.16 1
18 MET 4.69 -0.74 1
19 ASN 3.38 -0.27 1
20 ALA 3.98 -0.14 1
21 ILE 4.55 -0.61 1
22 ILE 2.28 -0.12 1
23 ASP 5.43 -0.31 1
24 THR 6.73 -0.47 1
25 VAL 5.01 -0.64 1
26 ILE 4.86 -1.10 1
27 ASN 0.86 -0.24 1
28 TYR 4.17 -0.45 1
29 LYS -6.40 0.78 1
30 ASP -2.41 -0.17 1
31 SER 3.99 -0.30 1
32 SER -0.20 0.14 1
34 ARG -0.47 -0.14 1
35 GLN 0.09 0.54 1
36 LEU 3.72 -0.31 1
37 SER 2.93 -0.20 1
38 GLU 4.17 -0.35 1
39 VAL 2.91 0.05 1
40 PHE -2.56 0.14 1
41 ILE 6.21 -0.15 1
42 GLN -5.07 0.65 1
43 LEU 0.55 -0.41 1
45 SER -1.44 -0.10 1
46 ARG 4.28 -0.65 1
47 LYS 2.04 -0.27 1
48 GLU 0.05 -0.14 1
49 LEU -3.32 0.29 1
51 GLU 3.89 -0.18 1
52 TYR 4.00 -1.01 1
53 TYR 2.53 -0.48 1
54 GLU 1.06 -0.14 1
55 LEU -0.79 -0.05 1
56 ILE 0.94 -0.25 1
57 ARG 1.88 -0.19 1
58 LYS -1.74 0.15 1
60 VAL -1.44 0.08 1
61 ASP -3.44 0.03 1
62 PHE 6.38 -0.19 1
63 LYS 5.78 -0.26 1
64 LYS 3.37 -0.13 1
65 ILE 4.36 0.23 1
66 LYS 6.24 -0.26 1
67 GLU 3.14 -0.39 1
68 ARG 5.04 -0.60 1
69 ILE 4.71 -0.34 1
70 ARG 3.84 -0.48 1
71 ASN -0.03 -0.13 1
72 HIS 2.95 -0.53 1
73 LYS 2.03 -0.22 1
74 TYR -3.50 0.36 1
75 ARG -0.80 0.46 1
76 SER -4.36 0.16 1
77 LEU 4.20 -0.26 1
79 ASP 3.12 -0.29 1
80 LEU 2.89 -1.46 1
81 GLU 3.03 -1.18 1
82 LYS 4.83 -0.48 1
83 ASP 2.97 0.29 1
84 VAL 6.42 -0.92 1
85 MET 3.95 -0.42 1
86 LEU 3.24 -0.19 1
87 LEU 5.69 -0.74 1
89 HIS 3.75 -0.68 1
90 ASN 3.87 -0.46 1
91 ALA 3.09 0.14 1
92 GLN 3.00 -0.20 1
93 THR 3.75 -0.15 1
94 PHE 1.56 -0.43 1
95 ASN -3.04 -0.02 1
96 LEU -0.88 -0.18 1
99 SER -1.25 0.02 1
100 GLN 3.25 -0.27 1
101 ILE 4.76 -0.19 1
102 TYR 2.57 -0.81 1
103 GLU 3.94 -0.19 1
104 ASP 4.24 -0.08 1
105 SER 4.96 -0.68 1
106 ILE 4.19 -0.38 1
107 VAL 5.83 -0.42 1
108 LEU 4.44 -0.55 1
109 GLN 4.92 -0.59 1
110 SER 4.17 -0.20 1
111 VAL 5.42 -0.62 1
112 PHE 5.97 -1.00 1
113 LYS 4.83 -0.59 1
114 SER 3.93 -0.27 1
115 ALA 2.30 -0.17 1
116 ARG 3.51 -0.54 1
117 GLN 1.33 -0.09 1
118 SER 0.43 -0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11329_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 -2.00
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.95
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.45
_LACS_plot.Line_2_terminator_val_x_2 7.01
_LACS_plot.Line_2_terminator_val_y_2 2.57
_LACS_plot.Y_axis_chem_shift_offset -0.24
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
60 VAL -1.44 -5.45 0
10 ASN 0.78 -0.16 1
13 LYS 4.11 2.23 1
14 LEU 2.94 0.89 1
15 THR 7.01 1.17 1
16 LYS 4.23 2.71 1
17 GLN 4.12 2.56 1
18 MET 4.69 1.24 1
19 ASN 3.38 1.27 1
20 ALA 3.98 3.41 1
21 ILE 4.55 1.30 1
22 ILE 2.28 1.07 1
23 ASP 5.43 2.21 1
24 THR 6.73 1.51 1
25 VAL 5.01 0.92 1
26 ILE 4.86 1.35 1
27 ASN 0.86 -0.23 1
28 TYR 4.17 -1.02 1
29 LYS -6.40 -1.23 1
30 ASP -2.41 2.16 1
31 SER 3.99 0.87 1
32 SER -0.20 0.09 1
34 ARG -0.47 -1.16 1
35 GLN 0.09 0.13 1
36 LEU 3.72 0.93 1
37 SER 2.93 1.99 1
38 GLU 4.17 2.37 1
39 VAL 2.91 -0.52 1
40 PHE -2.56 0.34 1
41 ILE 6.21 -1.88 1
42 GLN -5.07 -0.28 1
43 LEU 0.55 3.53 1
45 SER -1.44 0.43 1
46 ARG 4.28 1.21 1
47 LYS 2.04 1.48 1
48 GLU 0.05 0.07 1
49 LEU -3.32 -2.73 1
51 GLU 3.89 2.63 1
52 TYR 4.00 -0.14 1
53 TYR 2.53 0.78 1
54 GLU 1.06 0.56 1
55 LEU -0.79 -1.21 1
56 ILE 0.94 -1.83 1
57 ARG 1.88 0.87 1
58 LYS -1.74 -3.13 1
61 ASP -3.44 -0.53 1
62 PHE 6.38 1.95 1
63 LYS 5.78 3.12 1
64 LYS 3.37 2.19 1
65 ILE 4.36 2.30 1
66 LYS 6.24 3.43 1
67 GLU 3.14 1.36 1
68 ARG 5.04 2.79 1
69 ILE 4.71 2.71 1
70 ARG 3.84 0.56 1
71 ASN -0.03 -0.76 1
72 HIS 2.95 0.87 1
73 LYS 2.03 1.62 1
74 TYR -3.50 -0.10 1
75 ARG -0.80 -0.99 1
76 SER -4.36 -0.03 1
79 ASP 3.12 1.59 1
80 LEU 2.89 -0.16 1
81 GLU 3.03 0.78 1
82 LYS 4.83 3.08 1
83 ASP 2.97 2.02 1
84 VAL 6.42 1.43 1
85 MET 3.95 2.49 1
86 LEU 3.24 -0.54 1
87 LEU 5.69 3.34 1
89 HIS 3.75 5.15 1
90 ASN 3.87 2.81 1
91 ALA 3.09 3.03 1
92 GLN 3.00 -0.76 1
93 THR 3.75 0.46 1
94 PHE 1.56 -1.37 1
95 ASN -3.04 -1.94 1
96 LEU -0.88 0.54 1
97 GLU 2.15 0.30 1
100 GLN 3.25 1.81 1
101 ILE 4.76 1.56 1
102 TYR 2.57 3.47 1
103 GLU 3.94 3.34 1
104 ASP 4.24 2.54 1
105 SER 4.96 0.51 1
106 ILE 4.19 3.27 1
107 VAL 5.83 3.16 1
108 LEU 4.44 0.94 1
109 GLN 4.92 2.18 1
110 SER 4.17 2.57 1
111 VAL 5.42 2.26 1
112 PHE 5.97 0.08 1
113 LYS 4.83 2.63 1
114 SER 3.93 1.98 1
115 ALA 2.30 1.60 1
116 ARG 3.51 0.78 1
117 GLN 1.33 0.25 1
118 SER 0.43 0.04 1
stop_
save_