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 bmr6311_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.70
_LACS_plot.Line_1_terminator_val_y_1 -3.11
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.83
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.59
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 4.89
_LACS_plot.Y_axis_chem_shift_offset -0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
84 HIS -8.10 -0.60 0
147 TYR -8.20 -0.30 0
10 THR 0.00 0.50 1
11 SER -0.10 0.50 1
12 GLN 0.20 0.50 1
13 ALA 0.30 0.30 1
14 LEU -0.10 0.30 1
15 TYR -0.40 -0.10 1
16 SER -1.00 -0.20 1
17 ASP 0.10 0.50 1
18 PHE -1.40 -0.50 1
19 SER 1.50 2.10 1
22 GLU 2.40 1.80 1
24 LEU 3.90 3.30 1
25 GLU 4.20 3.30 1
26 GLU 4.30 3.40 1
27 LEU 3.20 3.80 1
28 LEU 2.60 1.00 1
29 SER 0.50 0.70 1
30 ALA 0.80 0.40 1
34 ASP -1.00 -1.00 1
35 LEU 3.60 3.80 1
36 VAL -2.60 -3.30 1
37 ALA 2.70 3.00 1
38 GLN 4.20 4.70 1
39 ARG 5.90 5.20 1
40 HIS 3.00 4.50 1
41 HIS -1.80 1.50 1
43 TRP -0.50 -0.70 1
44 ASN -3.00 -1.30 1
46 LYS -0.00 -1.30 1
47 ASP -1.00 -2.00 1
49 SER -0.80 -1.00 1
50 GLU 2.20 1.90 1
51 ASN 0.30 -0.40 1
52 ILE -2.70 -1.00 1
53 ASP -3.50 -1.10 1
54 VAL 3.10 2.20 1
55 LYS -5.00 -1.20 1
56 GLU 1.50 0.70 1
59 LEU 3.70 2.10 1
61 PHE -3.00 -1.30 1
66 VAL -1.70 -0.70 1
67 ALA -0.70 -0.10 1
71 ASP -0.90 0.70 1
73 VAL -3.30 -2.60 1
74 ARG -5.20 -0.90 1
76 LYS 0.80 3.50 1
77 ARG -2.70 -2.50 1
79 TYR -2.20 -1.60 1
80 SER -0.90 -0.30 1
81 ARG -4.40 -1.90 1
83 LEU -2.80 -1.40 1
85 ALA -5.50 -2.40 1
86 TRP -2.70 -0.70 1
87 GLU -5.90 -1.90 1
88 ILE -4.20 -4.20 1
89 SER -2.30 -1.20 1
90 TRP -4.80 -2.70 1
92 LEU 5.10 4.60 1
93 GLU 2.80 0.80 1
95 ARG 2.30 2.20 1
97 THR 2.10 2.20 1
101 VAL -3.70 -0.70 1
103 VAL -8.70 -2.70 1
104 ALA -6.40 -1.10 1
105 THR -1.20 0.00 1
106 ALA 1.70 1.40 1
107 LEU -0.60 -0.40 1
108 ALA 1.10 0.90 1
110 LEU -0.90 -1.40 1
111 GLN -3.00 0.00 1
112 ALA -4.50 -1.30 1
121 SER 0.80 0.70 1
123 SER 2.20 1.40 1
124 GLU -1.90 -2.30 1
125 SER -2.00 0.30 1
126 TRP -2.60 1.10 1
128 TRP -6.40 -3.80 1
129 ASP -0.70 -1.00 1
132 ARG -2.10 0.00 1
134 LYS -5.90 -1.90 1
136 TYR -4.50 -2.50 1
137 HIS 2.70 4.10 1
138 GLN 3.60 1.50 1
139 SER -0.30 1.10 1
140 LYS 1.00 0.30 1
142 LEU -0.20 -0.10 1
143 GLU 0.60 0.20 1
144 ALA -1.70 0.40 1
146 GLN -1.60 -0.10 1
149 ALA -0.70 0.10 1
152 GLN 2.80 2.10 1
154 GLU 0.80 0.90 1
155 GLN 0.40 -0.10 1
156 LEU 0.30 0.80 1
157 VAL -1.20 -0.20 1
158 VAL 1.80 1.40 1
160 GLU 2.50 3.20 1
161 ARG -3.70 -1.70 1
162 LEU -2.90 -0.10 1
163 LEU -3.50 -1.10 1
164 VAL 1.70 0.20 1
165 VAL 0.60 0.20 1
166 LEU -3.60 -1.40 1
167 ASP -2.00 -1.80 1
169 GLU 2.30 1.30 1
170 GLU -1.90 -0.70 1
172 THR -6.00 -2.60 1
173 LEU -6.40 -2.20 1
175 TYR -5.60 -1.40 1
176 SER -3.70 -1.90 1
180 THR -0.40 0.20 1
181 TYR 1.00 0.60 1
182 LEU 2.30 0.50 1
185 ALA -0.20 0.80 1
186 PHE -5.90 -1.60 1
187 ARG -4.20 -1.70 1
189 LEU 1.60 0.20 1
190 LYS 3.50 3.10 1
192 ARG -3.10 -1.50 1
193 THR 1.00 1.30 1
197 SER -2.00 0.20 1
198 VAL -6.30 -2.10 1
199 SER -1.70 0.80 1
200 ALA -7.90 -1.00 1
204 GLN -7.70 -3.20 1
206 GLN -1.70 -1.40 1
207 VAL -0.40 -1.40 1
208 ARG -2.00 -0.70 1
209 ILE -4.20 -2.10 1
210 ARG -3.30 -1.40 1
211 TYR 1.60 2.70 1
212 MET -0.90 -1.90 1
215 ARG 0.40 0.60 1
216 ARG -0.40 0.00 1
217 VAL 1.10 0.80 1
218 GLU 0.30 0.60 1
219 GLU 0.80 0.70 1
220 THR 1.80 1.00 1
221 ARG 0.60 0.50 1
222 ARG 0.40 0.40 1
223 ILE 0.20 0.10 1
224 HIS -0.40 1.50 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6311_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.70
_LACS_plot.Line_1_terminator_val_y_1 5.59
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.41
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 -1.01
_LACS_plot.Y_axis_chem_shift_offset -0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
84 HIS -8.10 7.50 0
147 TYR -8.20 7.90 0
10 THR 0.00 0.50 1
11 SER -0.10 0.60 1
12 GLN 0.20 0.30 1
13 ALA 0.30 0.00 1
14 LEU -0.10 0.40 1
15 TYR -0.40 0.30 1
16 SER -1.00 0.80 1
17 ASP 0.10 0.40 1
18 PHE -1.40 0.90 1
19 SER 1.50 0.60 1
22 GLU 2.40 -0.60 1
24 LEU 3.90 -0.60 1
25 GLU 4.20 -0.90 1
26 GLU 4.30 -0.90 1
27 LEU 3.20 0.60 1
28 LEU 2.60 -1.60 1
29 SER 0.50 0.20 1
30 ALA 0.80 -0.40 1
34 ASP -1.00 0.00 1
35 LEU 3.60 0.20 1
36 VAL -2.60 -0.70 1
37 ALA 2.70 0.30 1
38 GLN 4.20 0.50 1
39 ARG 5.90 -0.70 1
40 HIS 3.00 1.50 1
41 HIS -1.80 3.30 1
43 TRP -0.50 -0.20 1
44 ASN -3.00 1.70 1
46 LYS -0.00 -1.30 1
47 ASP -1.00 -1.00 1
49 SER -0.80 -0.20 1
50 GLU 2.20 -0.30 1
51 ASN 0.30 -0.70 1
52 ILE -2.70 1.70 1
53 ASP -3.50 2.40 1
54 VAL 3.10 -0.90 1
55 LYS -5.00 3.80 1
56 GLU 1.50 -0.80 1
59 LEU 3.70 -1.60 1
61 PHE -3.00 1.70 1
66 VAL -1.70 1.00 1
67 ALA -0.70 0.60 1
71 ASP -0.90 1.60 1
73 VAL -3.30 0.70 1
74 ARG -5.20 4.30 1
76 LYS 0.80 2.70 1
77 ARG -2.70 0.20 1
79 TYR -2.20 0.60 1
80 SER -0.90 0.60 1
81 ARG -4.40 2.50 1
83 LEU -2.80 1.40 1
85 ALA -5.50 3.10 1
86 TRP -2.70 2.00 1
87 GLU -5.90 4.00 1
88 ILE -4.20 0.00 1
89 SER -2.30 1.10 1
90 TRP -4.80 2.10 1
92 LEU 5.10 -0.50 1
93 GLU 2.80 -2.00 1
95 ARG 2.30 -0.10 1
97 THR 2.10 0.10 1
101 VAL -3.70 3.00 1
103 VAL -8.70 6.00 1
104 ALA -6.40 5.30 1
105 THR -1.20 1.20 1
106 ALA 1.70 -0.30 1
107 LEU -0.60 0.20 1
108 ALA 1.10 -0.20 1
110 LEU -0.90 -0.50 1
111 GLN -3.00 3.00 1
112 ALA -4.50 3.20 1
121 SER 0.80 -0.10 1
123 SER 2.20 -0.80 1
124 GLU -1.90 -0.40 1
125 SER -2.00 2.30 1
126 TRP -2.60 3.70 1
128 TRP -6.40 2.60 1
129 ASP -0.70 -0.30 1
132 ARG -2.10 2.10 1
134 LYS -5.90 4.00 1
136 TYR -4.50 2.00 1
137 HIS 2.70 1.40 1
138 GLN 3.60 -2.10 1
139 SER -0.30 1.40 1
140 LYS 1.00 -0.70 1
142 LEU -0.20 0.10 1
143 GLU 0.60 -0.40 1
144 ALA -1.70 2.10 1
146 GLN -1.60 1.50 1
149 ALA -0.70 0.80 1
152 GLN 2.80 -0.70 1
154 GLU 0.80 0.10 1
155 GLN 0.40 -0.50 1
156 LEU 0.30 0.50 1
157 VAL -1.20 1.00 1
158 VAL 1.80 -0.40 1
160 GLU 2.50 0.70 1
161 ARG -3.70 2.00 1
162 LEU -2.90 2.80 1
163 LEU -3.50 2.40 1
164 VAL 1.70 -1.50 1
165 VAL 0.60 -0.40 1
166 LEU -3.60 2.20 1
167 ASP -2.00 0.20 1
169 GLU 2.30 -1.00 1
170 GLU -1.90 1.20 1
172 THR -6.00 3.40 1
173 LEU -6.40 4.20 1
175 TYR -5.60 4.20 1
176 SER -3.70 1.80 1
180 THR -0.40 0.60 1
181 TYR 1.00 -0.40 1
182 LEU 2.30 -1.80 1
185 ALA -0.20 1.00 1
186 PHE -5.90 4.30 1
187 ARG -4.20 2.50 1
189 LEU 1.60 -1.40 1
190 LYS 3.50 -0.40 1
192 ARG -3.10 1.60 1
193 THR 1.00 0.30 1
197 SER -2.00 2.20 1
198 VAL -6.30 4.20 1
199 SER -1.70 2.50 1
200 ALA -7.90 6.90 1
204 GLN -7.70 4.50 1
206 GLN -1.70 0.30 1
207 VAL -0.40 -1.00 1
208 ARG -2.00 1.30 1
209 ILE -4.20 2.10 1
210 ARG -3.30 1.90 1
211 TYR 1.60 1.10 1
212 MET -0.90 -1.00 1
215 ARG 0.40 0.20 1
216 ARG -0.40 0.40 1
217 VAL 1.10 -0.30 1
218 GLU 0.30 0.30 1
219 GLU 0.80 -0.10 1
220 THR 1.80 -0.80 1
221 ARG 0.60 -0.10 1
222 ARG 0.40 0.00 1
223 ILE 0.20 -0.10 1
224 HIS -0.40 1.90 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6311_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.70
_LACS_plot.Line_1_terminator_val_y_1 -1.73
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.12
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.73
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 1.16
_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
204 GLN -7.70 1.10 0
47 ASP -1.00 -5.00 0
147 TYR -8.20 1.00 0
38 GLN 4.20 4.60 0
39 ARG 5.90 4.30 0
10 THR 0.00 0.40 1
11 SER -0.10 0.20 1
12 GLN 0.20 -0.10 1
13 ALA 0.30 -0.10 1
14 LEU -0.10 -0.40 1
15 TYR -0.40 0.10 1
16 SER -1.00 -0.50 1
17 ASP 0.10 -0.40 1
18 PHE -1.40 -0.10 1
19 SER 1.50 -0.90 1
22 GLU 2.40 0.30 1
24 LEU 3.90 -0.10 1
25 GLU 4.20 3.10 1
26 GLU 4.30 2.90 1
27 LEU 3.20 2.20 1
28 LEU 2.60 0.60 1
29 SER 0.50 -0.70 1
30 ALA 0.80 -1.40 1
34 ASP -1.00 -0.50 1
35 LEU 3.60 1.10 1
36 VAL -2.60 2.90 1
37 ALA 2.70 3.00 1
40 HIS 3.00 1.80 1
41 HIS -1.80 0.90 1
43 TRP -0.50 -0.70 1
44 ASN -3.00 0.90 1
46 LYS -0.00 -1.00 1
49 SER -0.80 1.30 1
50 GLU 2.20 0.00 1
51 ASN 0.30 -0.30 1
52 ILE -2.70 -3.40 1
53 ASP -3.50 -0.80 1
54 VAL 3.10 -0.70 1
55 LYS -5.00 0.20 1
56 GLU 1.50 2.00 1
59 LEU 3.70 -1.10 1
61 PHE -3.00 0.30 1
66 VAL -1.70 -0.90 1
67 ALA -0.70 -0.40 1
71 ASP -0.90 -2.50 1
73 VAL -3.30 -3.50 1
74 ARG -5.20 1.30 1
76 LYS 0.80 0.20 1
77 ARG -2.70 -4.80 1
79 TYR -2.20 0.00 1
80 SER -0.90 -0.80 1
81 ARG -4.40 -0.70 1
83 LEU -2.80 -3.30 1
84 HIS -8.10 0.20 1
85 ALA -5.50 -2.00 1
86 TRP -2.70 -4.00 1
87 GLU -5.90 0.40 1
88 ILE -4.20 -0.70 1
89 SER -2.30 -0.80 1
90 TRP -4.80 -1.70 1
92 LEU 5.10 2.00 1
93 GLU 2.80 -0.20 1
95 ARG 2.30 0.70 1
97 THR 2.10 0.60 1
101 VAL -3.70 2.10 1
103 VAL -8.70 -2.50 1
104 ALA -6.40 0.50 1
105 THR -1.20 1.70 1
106 ALA 1.70 -0.80 1
107 LEU -0.60 0.80 1
108 ALA 1.10 -0.50 1
110 LEU -0.90 -2.20 1
111 GLN -3.00 -1.20 1
112 ALA -4.50 -1.20 1
121 SER 0.80 -2.00 1
123 SER 2.20 -1.30 1
124 GLU -1.90 -2.70 1
125 SER -2.00 -2.00 1
126 TRP -2.60 -0.80 1
128 TRP -6.40 -1.30 1
129 ASP -0.70 0.00 1
132 ARG -2.10 0.90 1
134 LYS -5.90 -1.20 1
137 HIS 2.70 0.30 1
138 GLN 3.60 -0.70 1
139 SER -0.30 0.50 1
140 LYS 1.00 0.60 1
142 LEU -0.20 0.10 1
143 GLU 0.60 -0.80 1
144 ALA -1.70 -1.00 1
146 GLN -1.60 -0.20 1
149 ALA -0.70 0.40 1
152 GLN 2.80 1.80 1
154 GLU 0.80 0.20 1
155 GLN 0.40 -0.60 1
156 LEU 0.30 -1.00 1
157 VAL -1.20 -0.60 1
158 VAL 1.80 0.20 1
160 GLU 2.50 -1.60 1
161 ARG -3.70 -0.90 1
162 LEU -2.90 -4.20 1
163 LEU -3.50 -2.60 1
164 VAL 1.70 -1.90 1
165 VAL 0.60 -2.30 1
166 LEU -3.60 -4.30 1
167 ASP -2.00 1.60 1
169 GLU 2.30 1.60 1
170 GLU -1.90 1.50 1
172 THR -6.00 -2.40 1
173 LEU -6.40 -2.10 1
175 TYR -5.60 -2.00 1
176 SER -3.70 -0.70 1
180 THR -0.40 -1.80 1
181 TYR 1.00 0.70 1
182 LEU 2.30 -2.20 1
185 ALA -0.20 -1.80 1
186 PHE -5.90 -1.50 1
187 ARG -4.20 -0.30 1
189 LEU 1.60 -1.40 1
190 LYS 3.50 1.50 1
192 ARG -3.10 -1.40 1
193 THR 1.00 -0.40 1
197 SER -2.00 -0.70 1
198 VAL -6.30 -1.30 1
199 SER -1.70 -2.50 1
200 ALA -7.90 -0.80 1
206 GLN -1.70 -0.90 1
207 VAL -0.40 0.70 1
208 ARG -2.00 -0.70 1
209 ILE -4.20 -2.20 1
210 ARG -3.30 -1.10 1
211 TYR 1.60 -0.90 1
212 MET -0.90 -0.80 1
215 ARG 0.40 -0.70 1
216 ARG -0.40 -0.50 1
217 VAL 1.10 0.20 1
218 GLU 0.30 0.40 1
219 GLU 0.80 0.60 1
220 THR 1.80 0.30 1
221 ARG 0.60 0.00 1
222 ARG 0.40 -0.20 1
223 ILE 0.20 -0.30 1
224 HIS -0.40 0.90 1
stop_
save_