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 bmr4649_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -4.43
_LACS_plot.Line_1_terminator_val_y_1 -1.80
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.84
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.12
_LACS_plot.Line_2_terminator_val_x_2 6.41
_LACS_plot.Line_2_terminator_val_y_2 5.05
_LACS_plot.Y_axis_chem_shift_offset -0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
62 LEU -2.30 1.60 0
38 MET 4.15 0.14 0
12 HIS -2.60 1.48 0
71 HIS 4.77 7.21 0
11 ASN -4.43 -0.86 1
13 ARG -4.12 -1.70 1
15 TRP -0.43 0.68 1
16 GLN -1.84 -1.27 1
18 LYS 4.04 2.96 1
19 ASP 2.42 3.14 1
20 LEU 4.95 2.52 1
21 GLN 4.17 3.30 1
22 ALA 3.91 2.98 1
23 ILE 4.40 4.32 1
24 LYS 3.84 3.92 1
25 GLN 4.12 3.27 1
26 GLU 2.16 2.40 1
27 VAL 2.44 1.68 1
28 SER 3.16 1.80 1
29 GLN 0.72 -0.02 1
30 ALA -1.90 -0.62 1
31 ALA 0.24 0.03 1
34 SER 2.36 1.89 1
36 GLN 4.74 3.64 1
37 PHE 2.45 3.65 1
39 GLN 4.38 3.70 1
40 THR 6.41 5.21 1
41 ILE 4.52 2.55 1
42 ARG 5.70 5.20 1
43 LEU 4.14 3.13 1
44 ALA 4.52 2.90 1
45 VAL 5.87 4.57 1
46 GLN 3.83 3.49 1
47 GLN 3.19 3.11 1
48 PHE 0.55 1.61 1
49 ASP 2.63 2.22 1
51 THR -2.01 -1.14 1
52 ALA 5.66 4.09 1
53 LYS 4.21 3.11 1
54 ASP 2.76 2.93 1
55 LEU 5.38 2.58 1
56 GLN 4.58 2.72 1
57 ASP 3.75 3.43 1
58 LEU 2.85 2.91 1
59 LEU 3.01 4.05 1
60 GLN 2.61 2.18 1
61 TYR 1.71 2.95 1
64 SER -2.05 -0.85 1
65 SER 0.89 -0.95 1
66 LEU 3.47 3.32 1
67 VAL 5.86 4.87 1
68 ALA 4.75 3.28 1
69 SER 4.41 3.52 1
70 LEU 3.01 2.93 1
72 HIS 4.13 4.41 1
73 GLN 3.63 3.37 1
74 GLN 3.72 2.01 1
75 LEU 4.44 2.85 1
76 ASP 4.97 3.80 1
77 SER 4.45 3.46 1
78 LEU 2.79 2.94 1
79 ILE 5.68 5.13 1
80 SER 4.50 3.51 1
81 GLU 2.98 2.99 1
82 ALA 3.66 2.91 1
83 GLU 3.03 3.15 1
84 THR 4.81 4.04 1
85 ARG 2.18 2.34 1
87 ILE -2.05 -0.45 1
88 THR 3.67 3.05 1
89 SER 2.42 1.82 1
90 TYR -2.00 -1.43 1
91 ASN -3.19 -2.55 1
93 LEU 3.05 1.58 1
94 ALA 0.48 -0.51 1
97 LEU 5.54 4.58 1
98 ARG 3.98 3.43 1
99 VAL 2.88 2.71 1
100 GLN 4.79 5.22 1
101 ALA 1.84 1.00 1
102 ASN -0.24 -0.03 1
103 ASN -0.70 -0.63 1
105 GLN 1.94 1.66 1
106 GLN 1.05 -1.73 1
107 GLN 4.00 4.53 1
109 LEU 3.74 2.44 1
110 ARG 6.32 4.86 1
111 ARG 4.50 2.69 1
112 GLU 3.82 2.80 1
113 TYR 5.32 5.40 1
114 GLN 5.04 3.65 1
115 GLN 4.21 3.17 1
116 LEU 3.91 3.26 1
117 TRP 5.10 5.24 1
118 LEU 2.64 3.32 1
119 ALA 3.29 2.30 1
120 ALA 4.55 1.98 1
121 PHE 4.02 4.65 1
122 ALA 2.14 1.65 1
123 ALA -0.92 -0.61 1
124 LEU 2.72 1.28 1
127 SER 0.25 0.52 1
128 ALA -0.40 0.12 1
129 LYS -0.28 0.01 1
130 ASP -0.67 0.17 1
132 SER 1.03 0.93 1
133 TRP -0.68 -0.45 1
134 ALA 0.01 1.55 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4649_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -4.43
_LACS_plot.Line_1_terminator_val_y_1 2.63
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.16
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.88
_LACS_plot.Line_2_terminator_val_x_2 6.41
_LACS_plot.Line_2_terminator_val_y_2 -1.36
_LACS_plot.Y_axis_chem_shift_offset -0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
62 LEU -2.30 3.90 0
38 MET 4.15 -4.01 0
12 HIS -2.60 4.08 0
71 HIS 4.77 2.44 0
11 ASN -4.43 3.57 1
13 ARG -4.12 2.42 1
15 TRP -0.43 1.11 1
16 GLN -1.84 0.57 1
18 LYS 4.04 -1.08 1
19 ASP 2.42 0.72 1
20 LEU 4.95 -2.43 1
21 GLN 4.17 -0.87 1
22 ALA 3.91 -0.93 1
23 ILE 4.40 -0.08 1
24 LYS 3.84 0.08 1
25 GLN 4.12 -0.85 1
26 GLU 2.16 0.24 1
27 VAL 2.44 -0.76 1
28 SER 3.16 -1.36 1
29 GLN 0.72 -0.74 1
30 ALA -1.90 1.28 1
31 ALA 0.24 -0.21 1
34 SER 2.36 -0.47 1
36 GLN 4.74 -1.10 1
37 PHE 2.45 1.20 1
39 GLN 4.38 -0.68 1
40 THR 6.41 -1.20 1
41 ILE 4.52 -1.97 1
42 ARG 5.70 -0.50 1
43 LEU 4.14 -1.01 1
44 ALA 4.52 -1.62 1
45 VAL 5.87 -1.30 1
46 GLN 3.83 -0.34 1
47 GLN 3.19 -0.08 1
48 PHE 0.55 1.06 1
49 ASP 2.63 -0.41 1
51 THR -2.01 0.87 1
52 ALA 5.66 -1.57 1
53 LYS 4.21 -1.10 1
54 ASP 2.76 0.17 1
55 LEU 5.38 -2.80 1
56 GLN 4.58 -1.86 1
57 ASP 3.75 -0.32 1
58 LEU 2.85 0.06 1
59 LEU 3.01 1.04 1
60 GLN 2.61 -0.43 1
61 TYR 1.71 1.24 1
64 SER -2.05 1.20 1
65 SER 0.89 -1.84 1
66 LEU 3.47 -0.15 1
67 VAL 5.86 -0.99 1
68 ALA 4.75 -1.47 1
69 SER 4.41 -0.89 1
70 LEU 3.01 -0.08 1
72 HIS 4.13 0.28 1
73 GLN 3.63 -0.26 1
74 GLN 3.72 -1.71 1
75 LEU 4.44 -1.59 1
76 ASP 4.97 -1.17 1
77 SER 4.45 -0.99 1
78 LEU 2.79 0.15 1
79 ILE 5.68 -0.55 1
80 SER 4.50 -0.99 1
81 GLU 2.98 0.01 1
82 ALA 3.66 -0.75 1
83 GLU 3.03 0.12 1
84 THR 4.81 -0.77 1
85 ARG 2.18 0.16 1
87 ILE -2.05 1.60 1
88 THR 3.67 -0.62 1
89 SER 2.42 -0.60 1
90 TYR -2.00 0.57 1
91 ASN -3.19 0.64 1
93 LEU 3.05 -1.47 1
94 ALA 0.48 -0.99 1
97 LEU 5.54 -0.96 1
98 ARG 3.98 -0.55 1
99 VAL 2.88 -0.17 1
100 GLN 4.79 0.43 1
101 ALA 1.84 -0.84 1
102 ASN -0.24 0.21 1
103 ASN -0.70 0.07 1
105 GLN 1.94 -0.28 1
106 GLN 1.05 -2.78 1
107 GLN 4.00 0.53 1
109 LEU 3.74 -1.30 1
110 ARG 6.32 -1.46 1
111 ARG 4.50 -1.81 1
112 GLU 3.82 -1.02 1
113 TYR 5.32 0.08 1
114 GLN 5.04 -1.39 1
115 GLN 4.21 -1.04 1
116 LEU 3.91 -0.65 1
117 TRP 5.10 0.14 1
118 LEU 2.64 0.68 1
119 ALA 3.29 -0.99 1
120 ALA 4.55 -2.57 1
121 PHE 4.02 0.63 1
122 ALA 2.14 -0.49 1
123 ALA -0.92 0.31 1
124 LEU 2.72 -1.44 1
127 SER 0.25 0.27 1
128 ALA -0.40 0.52 1
129 LYS -0.28 0.29 1
130 ASP -0.67 0.84 1
132 SER 1.03 -0.10 1
133 TRP -0.68 0.23 1
134 ALA 0.01 1.54 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4649_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -4.43
_LACS_plot.Line_1_terminator_val_y_1 0.18
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.22
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.03
_LACS_plot.Line_2_terminator_val_x_2 6.41
_LACS_plot.Line_2_terminator_val_y_2 -0.48
_LACS_plot.Y_axis_chem_shift_offset 0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
71 HIS 4.77 -1.30 0
11 ASN -4.43 0.12 1
12 HIS -2.60 0.34 1
15 TRP -0.43 -0.44 1
16 GLN -1.84 0.20 1
18 LYS 4.04 -0.25 1
19 ASP 2.42 -0.11 1
20 LEU 4.95 -1.11 1
21 GLN 4.17 -0.28 1
22 ALA 3.91 -0.17 1
23 ILE 4.40 -0.54 1
24 LYS 3.84 -0.59 1
25 GLN 4.12 -0.29 1
26 GLU 2.16 -0.23 1
27 VAL 2.44 -0.12 1
28 SER 3.16 -0.37 1
29 GLN 0.72 0.02 1
30 ALA -1.90 0.10 1
34 SER 2.36 -0.15 1
36 GLN 4.74 -0.26 1
37 PHE 2.45 -0.77 1
38 MET 4.15 -0.13 1
39 GLN 4.38 -0.27 1
40 THR 6.41 -0.43 1
41 ILE 4.52 -0.27 1
42 ARG 5.70 -0.30 1
43 LEU 4.14 -0.16 1
44 ALA 4.52 0.20 1
45 VAL 5.87 -0.65 1
46 GLN 3.83 -0.29 1
47 GLN 3.19 -0.45 1
48 PHE 0.55 -0.09 1
49 ASP 2.63 -0.37 1
51 THR -2.01 -0.38 1
52 ALA 5.66 -0.53 1
53 LYS 4.21 -0.29 1
54 ASP 2.76 -0.32 1
55 LEU 5.38 -0.34 1
56 GLN 4.58 0.22 1
57 ASP 3.75 -0.24 1
58 LEU 2.85 -0.60 1
59 LEU 3.01 -0.25 1
60 GLN 2.61 -0.22 1
61 TYR 1.71 -0.38 1
62 LEU -2.30 -0.18 1
64 SER -2.05 -0.06 1
65 SER 0.89 -0.30 1
66 LEU 3.47 -0.16 1
67 VAL 5.86 -0.68 1
68 ALA 4.75 -0.38 1
69 SER 4.41 -0.16 1
70 LEU 3.01 -0.24 1
72 HIS 4.13 -0.50 1
73 GLN 3.63 -0.31 1
74 GLN 3.72 -0.22 1
75 LEU 4.44 -0.58 1
76 ASP 4.97 -0.29 1
77 SER 4.45 -0.20 1
78 LEU 2.79 -0.29 1
79 ILE 5.68 -0.63 1
80 SER 4.50 -0.16 1
81 GLU 2.98 -0.29 1
82 ALA 3.66 -0.29 1
83 GLU 3.03 -0.47 1
84 THR 4.81 -0.30 1
85 ARG 2.18 -0.13 1
87 ILE -2.05 0.09 1
88 THR 3.67 -0.32 1
89 SER 2.42 -0.31 1
90 TYR -2.00 0.13 1
91 ASN -3.19 -0.05 1
93 LEU 3.05 -0.26 1
94 ALA 0.48 0.10 1
97 LEU 5.54 -0.59 1
98 ARG 3.98 -0.99 1
99 VAL 2.88 -0.35 1
100 GLN 4.79 -0.26 1
101 ALA 1.84 -0.45 1
102 ASN -0.24 0.10 1
103 ASN -0.70 -0.02 1
105 GLN 1.94 -0.18 1
106 GLN 1.05 0.33 1
107 GLN 4.00 -0.60 1
109 LEU 3.74 -0.26 1
110 ARG 6.32 -0.41 1
111 ARG 4.50 -0.24 1
112 GLU 3.82 -0.23 1
113 TYR 5.32 -0.80 1
115 GLN 4.21 -0.23 1
116 LEU 3.91 -0.33 1
117 TRP 5.10 -0.81 1
118 LEU 2.64 -0.01 1
119 ALA 3.29 -0.18 1
120 ALA 4.55 -0.63 1
121 PHE 4.02 -0.64 1
122 ALA 2.14 -0.05 1
123 ALA -0.92 -0.01 1
124 LEU 2.72 -0.35 1
127 SER 0.25 -0.18 1
128 ALA -0.40 -0.04 1
129 LYS -0.28 -0.13 1
130 ASP -0.67 -0.11 1
132 SER 1.03 -0.12 1
133 TRP -0.68 0.02 1
134 ALA 0.01 -0.22 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4649_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -4.43
_LACS_plot.Line_1_terminator_val_y_1 -0.72
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.89
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.28
_LACS_plot.Line_2_terminator_val_x_2 6.41
_LACS_plot.Line_2_terminator_val_y_2 3.66
_LACS_plot.Y_axis_chem_shift_offset -1.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
114 GLN 5.04 -0.56 0
11 ASN -4.43 -1.85 0
12 HIS -2.60 0.93 1
15 TRP -0.43 2.57 1
16 GLN -1.84 2.85 1
18 LYS 4.04 3.15 1
19 ASP 2.42 2.28 1
20 LEU 4.95 1.96 1
21 GLN 4.17 3.54 1
22 ALA 3.91 3.72 1
23 ILE 4.40 2.08 1
24 LYS 3.84 3.38 1
25 GLN 4.12 3.70 1
27 VAL 2.44 1.53 1
28 SER 3.16 1.84 1
29 GLN 0.72 -0.06 1
30 ALA -1.90 -0.56 1
36 GLN 4.74 3.34 1
37 PHE 2.45 1.85 1
38 MET 4.15 3.50 1
39 GLN 4.38 3.42 1
40 THR 6.41 3.41 1
41 ILE 4.52 2.31 1
42 ARG 5.70 4.36 1
43 LEU 4.14 2.40 1
44 ALA 4.52 3.39 1
45 VAL 5.87 3.27 1
46 GLN 3.83 2.97 1
47 GLN 3.19 2.96 1
48 PHE 0.55 -1.04 1
51 THR -2.01 0.64 1
52 ALA 5.66 4.13 1
53 LYS 4.21 2.93 1
54 ASP 2.76 5.60 1
55 LEU 5.38 1.17 1
56 GLN 4.58 3.11 1
57 ASP 3.75 3.93 1
58 LEU 2.85 0.79 1
59 LEU 3.01 1.49 1
60 GLN 2.61 1.81 1
61 TYR 1.71 2.16 1
62 LEU -2.30 1.80 1
64 SER -2.05 0.81 1
65 SER 0.89 3.69 1
66 LEU 3.47 2.39 1
67 VAL 5.86 2.31 1
68 ALA 4.75 3.04 1
69 SER 4.41 3.52 1
70 LEU 3.01 3.21 1
71 HIS 4.77 3.43 1
72 HIS 4.13 3.86 1
73 GLN 3.63 3.82 1
74 GLN 3.72 3.12 1
75 LEU 4.44 1.19 1
76 ASP 4.97 4.44 1
77 SER 4.45 3.20 1
78 LEU 2.79 4.14 1
79 ILE 5.68 1.83 1
80 SER 4.50 4.02 1
81 GLU 2.98 2.99 1
82 ALA 3.66 3.12 1
83 GLU 3.03 3.96 1
84 THR 4.81 2.08 1
85 ARG 2.18 3.60 1
87 ILE -2.05 0.96 1
88 THR 3.67 1.38 1
89 SER 2.42 -0.29 1
90 TYR -2.00 -1.69 1
93 LEU 3.05 1.71 1
94 ALA 0.48 -0.42 1
97 LEU 5.54 0.94 1
98 ARG 3.98 0.25 1
99 VAL 2.88 4.91 1
100 GLN 4.79 2.76 1
101 ALA 1.84 0.77 1
102 ASN -0.24 0.52 1
105 GLN 1.94 2.56 1
106 GLN 1.05 0.11 1
109 LEU 3.74 2.16 1
110 ARG 6.32 3.34 1
111 ARG 4.50 3.93 1
112 GLU 3.82 3.50 1
113 TYR 5.32 2.32 1
115 GLN 4.21 4.67 1
116 LEU 3.91 0.42 1
117 TRP 5.10 4.08 1
118 LEU 2.64 2.84 1
119 ALA 3.29 3.88 1
120 ALA 4.55 0.84 1
121 PHE 4.02 2.25 1
122 ALA 2.14 0.80 1
123 ALA -0.92 0.61 1
127 SER 0.25 0.70 1
128 ALA -0.40 0.32 1
129 LYS -0.28 0.21 1
132 SER 1.03 0.70 1
133 TRP -0.68 -0.40 1
stop_
save_