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 bmr7122_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.00
_LACS_plot.Line_1_terminator_val_y_1 -2.29
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.59
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.42
_LACS_plot.Line_2_terminator_val_x_2 7.90
_LACS_plot.Line_2_terminator_val_y_2 5.80
_LACS_plot.Y_axis_chem_shift_offset 0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 THR 2.40 -2.80 0
10 ILE -3.60 -0.40 1
12 MET -5.50 0.00 1
13 ILE -2.20 -1.40 1
14 PHE -4.15 -1.21 1
15 LYS -0.90 -0.30 1
17 ASN 1.00 0.30 1
18 GLN -2.50 -1.00 1
19 LEU 0.60 1.10 1
20 VAL -2.50 -1.70 1
21 ARG -2.50 0.10 1
22 ASN -3.90 0.10 1
23 THR -1.10 0.30 1
26 LEU -6.60 -1.90 1
27 ARG -0.50 -0.60 1
28 ARG 4.20 3.00 1
29 GLU 3.10 1.55 1
30 GLU -3.50 0.30 1
31 ILE 3.00 1.50 1
32 PHE 3.90 1.30 1
33 ASN 2.20 1.20 1
34 PHE -0.60 1.70 1
35 MET -2.90 0.00 1
36 ASP -2.20 -1.30 1
38 GLU -3.00 -1.50 1
39 VAL 2.20 0.40 1
40 VAL 0.30 0.10 1
41 SER 1.20 1.10 1
42 ASN 0.10 -0.20 1
44 GLU 0.30 -0.50 1
45 ASP 4.20 3.70 1
46 GLU 3.80 2.70 1
47 HIS 0.20 2.20 1
48 LEU 3.80 3.20 1
49 LYS 4.00 2.80 1
50 VAL 6.50 4.80 1
51 ALA 4.60 3.30 1
52 GLU 4.20 3.90 1
53 ILE 5.40 4.10 1
54 ILE 7.00 5.30 1
55 LEU 3.70 3.20 1
56 LYS 4.00 4.00 1
57 LEU 2.00 3.00 1
58 TYR 2.70 2.70 1
60 ALA 0.70 0.00 1
61 GLU -1.80 -0.70 1
62 ILE -4.40 -1.40 1
63 ASP -2.10 -0.10 1
64 ASP 5.90 3.60 1
65 LYS 4.90 3.20 1
66 LYS 2.80 1.40 1
67 VAL 7.30 5.10 1
68 ARG 5.20 4.30 1
69 GLU 0.30 0.60 1
70 LEU -1.30 1.00 1
71 ILE -3.10 -1.70 1
72 SER -0.60 -1.10 1
73 TYR -5.10 -2.50 1
74 LYS -4.00 -1.20 1
75 LEU -2.30 -1.50 1
76 GLU -0.30 -1.40 1
77 VAL -3.30 -2.20 1
79 GLU 4.10 3.90 1
80 PHE 5.80 4.60 1
81 THR 6.30 5.00 1
83 LYS 4.30 3.20 1
84 VAL 5.30 4.20 1
85 LEU 5.40 2.50 1
86 ASP 3.80 2.80 1
87 ILE 3.80 2.60 1
88 VAL 5.30 3.20 1
89 LYS 2.77 2.50 1
90 ASP -0.40 -0.10 1
91 ILE 3.20 1.90 1
92 GLU -0.40 0.60 1
95 LYS -3.30 -2.50 1
97 LEU -7.00 -1.50 1
98 THR -5.50 -2.80 1
99 TYR 4.90 4.00 1
101 ASP 3.20 3.40 1
102 ILE 5.80 4.40 1
103 ALA 3.80 2.20 1
104 LYS 3.60 2.70 1
105 LYS 3.20 2.60 1
106 LEU -2.10 -1.50 1
107 ASN -6.20 0.50 1
108 THR -2.40 -3.10 1
109 SER -3.20 -1.70 1
111 ARG 4.10 2.90 1
112 ALA 4.30 2.90 1
113 VAL 6.30 4.90 1
115 MET 2.70 2.90 1
116 ALA 2.20 2.20 1
117 LEU 3.60 2.50 1
118 LYS 3.90 2.80 1
119 ARG -0.20 -1.30 1
120 ASN 1.50 -0.20 1
122 LEU -3.40 -1.80 1
124 LEU 7.90 5.60 1
125 ILE 5.20 3.90 1
129 HIS 1.90 2.20 1
130 ARG 1.50 0.70 1
131 VAL 0.10 -2.10 1
132 VAL -4.90 -3.50 1
133 ALA -0.90 -2.50 1
134 LYS 3.90 3.00 1
135 ASN 2.00 4.60 1
136 SER -1.40 -0.60 1
137 LEU 0.30 1.40 1
140 TYR -1.20 -0.30 1
141 SER 4.50 2.60 1
142 TYR -0.40 0.00 1
144 LEU 3.70 3.00 1
145 ASP 5.20 2.70 1
146 LYS 3.10 1.40 1
147 LYS 2.80 3.70 1
148 LYS 3.30 3.20 1
149 PHE 3.80 3.40 1
150 ILE 3.00 3.90 1
152 GLU 3.10 2.40 1
153 ARG 3.90 1.80 1
154 GLU 4.40 3.20 1
155 ARG 4.10 3.00 1
157 ASN 0.71 0.53 1
158 MET 1.70 1.10 1
159 VAL 0.20 0.00 1
160 SER 0.10 1.50 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7122_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.00
_LACS_plot.Line_1_terminator_val_y_1 4.71
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.41
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.58
_LACS_plot.Line_2_terminator_val_x_2 7.90
_LACS_plot.Line_2_terminator_val_y_2 -2.10
_LACS_plot.Y_axis_chem_shift_offset 0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 THR 2.40 -5.20 0
10 ILE -3.60 3.20 1
12 MET -5.50 5.50 1
13 ILE -2.20 0.80 1
14 PHE -4.15 2.94 1
15 LYS -0.90 0.60 1
17 ASN 1.00 -0.70 1
18 GLN -2.50 1.50 1
19 LEU 0.60 0.50 1
20 VAL -2.50 0.80 1
21 ARG -2.50 2.60 1
22 ASN -3.90 4.00 1
23 THR -1.10 1.40 1
26 LEU -6.60 4.70 1
27 ARG -0.50 -0.10 1
28 ARG 4.20 -1.20 1
29 GLU 3.10 -1.55 1
30 GLU -3.50 3.80 1
31 ILE 3.00 -1.50 1
32 PHE 3.90 -2.60 1
33 ASN 2.20 -1.00 1
34 PHE -0.60 2.30 1
35 MET -2.90 2.90 1
36 ASP -2.20 0.90 1
38 GLU -3.00 1.50 1
39 VAL 2.20 -1.80 1
40 VAL 0.30 -0.20 1
41 SER 1.20 -0.10 1
42 ASN 0.10 -0.30 1
44 GLU 0.30 -0.80 1
45 ASP 4.20 -0.50 1
46 GLU 3.80 -1.10 1
47 HIS 0.20 2.00 1
48 LEU 3.80 -0.60 1
49 LYS 4.00 -1.20 1
50 VAL 6.50 -1.70 1
51 ALA 4.60 -1.30 1
52 GLU 4.20 -0.30 1
53 ILE 5.40 -1.30 1
54 ILE 7.00 -1.70 1
55 LEU 3.70 -0.50 1
56 LYS 4.00 0.00 1
57 LEU 2.00 1.00 1
58 TYR 2.70 0.00 1
60 ALA 0.70 -0.70 1
61 GLU -1.80 1.10 1
62 ILE -4.40 3.00 1
63 ASP -2.10 2.00 1
64 ASP 5.90 -2.30 1
65 LYS 4.90 -1.70 1
66 LYS 2.80 -1.40 1
67 VAL 7.30 -2.20 1
68 ARG 5.20 -0.90 1
69 GLU 0.30 0.30 1
70 LEU -1.30 2.30 1
71 ILE -3.10 1.40 1
72 SER -0.60 -0.50 1
73 TYR -5.10 2.60 1
74 LYS -4.00 2.80 1
75 LEU -2.30 0.80 1
76 GLU -0.30 -1.10 1
77 VAL -3.30 1.10 1
79 GLU 4.10 -0.20 1
80 PHE 5.80 -1.20 1
81 THR 6.30 -1.30 1
83 LYS 4.30 -1.10 1
84 VAL 5.30 -1.10 1
85 LEU 5.40 -2.90 1
86 ASP 3.80 -1.00 1
87 ILE 3.80 -1.20 1
88 VAL 5.30 -2.10 1
89 LYS 2.77 -0.27 1
90 ASP -0.40 0.30 1
91 ILE 3.20 -1.30 1
92 GLU -0.40 1.00 1
95 LYS -3.30 0.80 1
97 LEU -7.00 5.50 1
98 THR -5.50 2.70 1
99 TYR 4.90 -0.90 1
101 ASP 3.20 0.20 1
102 ILE 5.80 -1.40 1
103 ALA 3.80 -1.60 1
104 LYS 3.60 -0.90 1
105 LYS 3.20 -0.60 1
106 LEU -2.10 0.60 1
107 ASN -6.20 6.70 1
108 THR -2.40 -0.70 1
109 SER -3.20 1.50 1
111 ARG 4.10 -1.20 1
112 ALA 4.30 -1.40 1
113 VAL 6.30 -1.40 1
115 MET 2.70 0.20 1
116 ALA 2.20 0.00 1
117 LEU 3.60 -1.10 1
118 LYS 3.90 -1.10 1
119 ARG -0.20 -1.10 1
120 ASN 1.50 -1.70 1
122 LEU -3.40 1.60 1
124 LEU 7.90 -2.30 1
125 ILE 5.20 -1.30 1
129 HIS 1.90 0.30 1
130 ARG 1.50 -0.80 1
131 VAL 0.10 -2.20 1
132 VAL -4.90 1.40 1
133 ALA -0.90 -1.60 1
134 LYS 3.90 -0.90 1
135 ASN 2.00 2.60 1
136 SER -1.40 0.80 1
137 LEU 0.30 1.10 1
140 TYR -1.20 0.90 1
141 SER 4.50 -1.90 1
142 TYR -0.40 0.40 1
144 LEU 3.70 -0.70 1
145 ASP 5.20 -2.50 1
146 LYS 3.10 -1.70 1
147 LYS 2.80 0.90 1
148 LYS 3.30 -0.10 1
149 PHE 3.80 -0.40 1
150 ILE 3.00 0.90 1
152 GLU 3.10 -0.70 1
153 ARG 3.90 -2.10 1
154 GLU 4.40 -1.20 1
155 ARG 4.10 -1.10 1
157 ASN 0.71 -0.18 1
158 MET 1.70 -0.60 1
159 VAL 0.20 -0.20 1
160 SER 0.10 1.40 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7122_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.00
_LACS_plot.Line_1_terminator_val_y_1 0.70
_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 0.23
_LACS_plot.Line_2_terminator_val_x_2 7.90
_LACS_plot.Line_2_terminator_val_y_2 -0.72
_LACS_plot.Y_axis_chem_shift_offset -0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 ARG 4.20 -1.42 0
98 THR -5.50 1.47 0
107 ASN -6.20 -0.27 0
96 THR 2.40 1.02 0
10 ILE -3.60 -0.23 1
12 MET -5.50 0.74 1
13 ILE -2.20 0.30 1
14 PHE -4.15 0.68 1
15 LYS -0.90 0.30 1
17 ASN 1.00 0.01 1
18 GLN -2.50 0.13 1
19 LEU 0.60 -0.50 1
20 VAL -2.50 1.03 1
21 ARG -2.50 0.55 1
22 ASN -3.90 0.85 1
23 THR -1.10 0.21 1
26 LEU -6.60 0.42 1
27 ARG -0.50 0.45 1
29 GLU 3.10 -0.15 1
30 GLU -3.50 0.29 1
31 ILE 3.00 0.09 1
32 PHE 3.90 0.44 1
33 ASN 2.20 -0.25 1
34 PHE -0.60 -0.06 1
35 MET -2.90 0.04 1
36 ASP -2.20 0.39 1
38 GLU -3.00 0.20 1
39 VAL 2.20 0.38 1
40 VAL 0.30 0.07 1
41 SER 1.20 0.02 1
42 ASN 0.10 0.10 1
44 GLU 0.30 -0.14 1
46 GLU 3.80 -0.36 1
47 HIS 0.20 -0.26 1
48 LEU 3.80 -0.29 1
49 LYS 4.00 -0.24 1
50 VAL 6.50 -0.51 1
51 ALA 4.60 -0.35 1
52 GLU 4.20 -0.59 1
53 ILE 5.40 -0.54 1
54 ILE 7.00 -0.62 1
55 LEU 3.70 -0.46 1
56 LYS 4.00 -0.24 1
57 LEU 2.00 -0.23 1
58 TYR 2.70 -0.53 1
60 ALA 0.70 0.18 1
61 GLU -1.80 -0.01 1
62 ILE -4.40 0.18 1
63 ASP -2.10 -0.04 1
64 ASP 5.90 -0.50 1
65 LYS 4.90 -0.34 1
66 LYS 2.80 -0.15 1
67 VAL 7.30 -0.53 1
68 ARG 5.20 -0.25 1
69 GLU 0.30 0.11 1
70 LEU -1.30 0.08 1
71 ILE -3.10 0.45 1
72 SER -0.60 0.30 1
73 TYR -5.10 0.22 1
74 LYS -4.00 0.07 1
75 LEU -2.30 0.29 1
76 GLU -0.30 0.40 1
77 VAL -3.30 0.58 1
79 GLU 4.10 -0.36 1
80 PHE 5.80 -0.43 1
81 THR 6.30 -0.22 1
83 LYS 4.30 -0.33 1
84 VAL 5.30 -0.82 1
85 LEU 5.40 -0.49 1
86 ASP 3.80 -0.25 1
87 ILE 3.80 -0.25 1
88 VAL 5.30 -0.82 1
89 LYS 2.77 -0.49 1
90 ASP -0.40 0.11 1
91 ILE 3.20 -0.38 1
92 GLU -0.40 -0.36 1
95 LYS -3.30 0.43 1
97 LEU -7.00 0.42 1
99 TYR 4.90 -0.68 1
101 ASP 3.20 -0.19 1
102 ILE 5.80 -0.62 1
103 ALA 3.80 -0.61 1
104 LYS 3.60 -0.08 1
105 LYS 3.20 -0.20 1
106 LEU -2.10 0.14 1
108 THR -2.40 0.53 1
109 SER -3.20 0.43 1
111 ARG 4.10 -0.36 1
112 ALA 4.30 -0.19 1
113 VAL 6.30 -0.43 1
115 MET 2.70 -0.29 1
116 ALA 2.20 -0.04 1
117 LEU 3.60 -0.38 1
118 LYS 3.90 -0.27 1
119 ARG -0.20 0.07 1
120 ASN 1.50 -0.55 1
122 LEU -3.40 0.74 1
124 LEU 7.90 -0.70 1
125 ILE 5.20 -0.98 1
129 HIS 1.90 -0.51 1
130 ARG 1.50 -0.28 1
131 VAL 0.10 0.63 1
132 VAL -4.90 0.39 1
133 ALA -0.90 1.15 1
134 LYS 3.90 -0.27 1
135 ASN 2.00 0.26 1
136 SER -1.40 0.21 1
137 LEU 0.30 -0.04 1
140 TYR -1.20 0.11 1
141 SER 4.50 -0.45 1
142 TYR -0.40 -0.22 1
144 LEU 3.70 -0.24 1
145 ASP 5.20 -0.34 1
146 LYS 3.10 -0.03 1
147 LYS 2.80 -1.09 1
148 LYS 3.30 -0.57 1
149 PHE 3.80 -0.53 1
150 ILE 3.00 -0.90 1
152 GLU 3.10 -0.39 1
153 ARG 3.90 -0.52 1
154 GLU 4.40 -0.66 1
155 ARG 4.10 -0.28 1
157 ASN 0.71 0.14 1
158 MET 1.70 0.40 1
159 VAL 0.20 0.12 1
160 SER 0.10 -0.15 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7122_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.00
_LACS_plot.Line_1_terminator_val_y_1 4.94
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 2.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 3.56
_LACS_plot.Line_2_terminator_val_x_2 7.29
_LACS_plot.Line_2_terminator_val_y_2 0.77
_LACS_plot.Y_axis_chem_shift_offset -2.88
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
62 ILE -4.40 -4.20 0
35 MET -2.90 -5.10 0
73 TYR -5.10 -4.90 0
10 ILE -3.60 4.30 1
12 MET -5.50 5.70 1
13 ILE -2.20 5.20 1
14 PHE -4.15 3.71 1
15 LYS -0.90 1.80 1
17 ASN 1.00 5.90 1
18 GLN -2.50 5.30 1
19 LEU 0.60 1.90 1
21 ARG -2.50 6.00 1
22 ASN -3.90 6.60 1
26 LEU -6.60 1.80 1
27 ARG -0.50 1.20 1
28 ARG 4.20 2.10 1
29 GLU 3.10 2.72 1
30 GLU -3.50 0.30 1
31 ILE 3.00 3.90 1
32 PHE 3.90 3.20 1
33 ASN 2.20 5.20 1
36 ASP -2.20 3.50 1
38 GLU -3.00 3.10 1
39 VAL 2.20 2.60 1
40 VAL 0.30 3.50 1
41 SER 1.20 6.90 1
44 GLU 0.30 1.10 1
45 ASP 4.20 0.90 1
47 HIS 0.20 3.90 1
48 LEU 3.80 0.00 1
49 LYS 4.00 -0.20 1
50 VAL 6.50 2.40 1
51 ALA 4.60 -0.40 1
52 GLU 4.20 0.40 1
53 ILE 5.40 2.30 1
54 ILE 7.00 1.90 1
55 LEU 3.70 0.10 1
56 LYS 4.00 -0.50 1
57 LEU 2.00 -1.60 1
60 ALA 0.70 1.00 1
61 GLU -1.80 3.90 1
63 ASP -2.10 2.70 1
64 ASP 5.90 2.40 1
66 LYS 2.80 -0.50 1
67 VAL 7.30 1.80 1
68 ARG 5.20 2.90 1
69 GLU 0.30 1.70 1
70 LEU -1.30 0.50 1
71 ILE -3.10 4.60 1
72 SER -0.60 7.30 1
74 LYS -4.00 4.90 1
75 LEU -2.30 2.40 1
76 GLU -0.30 4.20 1
79 GLU 4.10 0.70 1
80 PHE 5.80 3.30 1
81 THR 6.30 5.40 1
83 LYS 4.30 -0.70 1
84 VAL 5.30 1.30 1
85 LEU 5.40 -0.20 1
86 ASP 3.80 1.00 1
88 VAL 5.30 2.70 1
89 LYS 2.77 4.30 1
92 GLU -0.40 4.70 1
95 LYS -3.30 4.10 1
97 LEU -7.00 2.30 1
98 THR -5.50 3.00 1
99 TYR 4.90 0.50 1
101 ASP 3.20 0.00 1
102 ILE 5.80 2.40 1
103 ALA 3.80 -1.70 1
104 LYS 3.60 -0.70 1
105 LYS 3.20 1.20 1
106 LEU -2.10 2.50 1
107 ASN -6.20 6.70 1
111 ARG 4.10 1.10 1
112 ALA 4.30 -3.70 1
113 VAL 6.30 1.70 1
115 MET 2.70 1.70 1
119 ARG -0.20 3.40 1
125 ILE 5.20 3.90 1
129 HIS 1.90 8.70 1
131 VAL 0.10 4.20 1
132 VAL -4.90 6.00 1
133 ALA -0.90 0.50 1
134 LYS 3.90 1.70 1
135 ASN 2.00 6.20 1
136 SER -1.40 7.60 1
137 LEU 0.30 0.20 1
141 SER 4.50 6.40 1
142 TYR -0.40 5.70 1
144 LEU 3.70 -0.10 1
146 LYS 3.10 2.10 1
147 LYS 2.80 1.90 1
148 LYS 3.30 1.60 1
150 ILE 3.00 0.50 1
153 ARG 3.90 0.30 1
154 GLU 4.40 1.50 1
stop_
save_