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 bmr15924_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.51
_LACS_plot.Line_1_terminator_val_y_1 -3.16
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.79
_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 6.23
_LACS_plot.Line_2_terminator_val_y_2 2.88
_LACS_plot.Y_axis_chem_shift_offset -0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
174 HIS 0.69 3.89 0
82 HIS 0.40 3.82 0
109 HIS -6.13 1.13 0
10 VAL -0.33 -0.06 1
12 VAL 0.42 0.27 1
13 ASN 0.28 0.38 1
15 LEU -0.33 -0.05 1
16 ASP -0.31 -0.26 1
17 VAL 1.61 0.68 1
18 THR 0.67 0.59 1
19 SER 0.61 0.80 1
20 LEU -1.62 -1.01 1
21 ARG 0.21 0.89 1
23 PHE -2.79 -0.20 1
24 ASP -4.93 -1.33 1
25 LEU -5.42 -0.24 1
26 VAL -0.09 -0.53 1
27 ILE -4.44 -1.27 1
29 PHE 0.91 2.71 1
30 THR 0.15 -0.33 1
31 ILE 0.95 0.70 1
32 LYS 1.49 0.37 1
33 LYS 0.18 0.11 1
35 GLU -3.95 -1.44 1
36 ILE -4.45 -2.24 1
37 THR -4.51 -1.87 1
39 GLU -4.70 0.34 1
40 VAL -2.90 -1.63 1
41 ARG -1.72 -0.68 1
42 MET 0.04 0.42 1
44 SER 2.68 1.64 1
46 LYS 0.91 1.26 1
47 VAL -4.29 -2.15 1
48 ALA -6.70 -1.69 1
49 GLN -1.81 -0.18 1
51 THR 0.64 0.90 1
52 ILE -1.10 -0.23 1
53 THR -2.33 -0.72 1
54 ASP -0.63 -0.29 1
55 ASN 1.66 1.32 1
56 LYS 6.23 1.82 1
57 ASP -1.87 -1.80 1
59 THR -5.63 -1.54 1
60 VAL -4.96 -2.77 1
61 THR -0.63 0.13 1
62 VAL -2.47 -1.62 1
63 ARG -4.75 -1.24 1
64 TYR -3.80 -0.21 1
65 ALA -2.78 -2.56 1
67 SER -1.96 -0.98 1
68 GLU -5.90 -1.82 1
69 ALA -1.99 -1.43 1
71 LEU 1.93 1.56 1
72 HIS -2.88 -0.46 1
73 GLU -6.36 -2.22 1
74 MET -7.21 -1.54 1
75 ASP -3.82 -1.43 1
76 ILE -1.05 -0.38 1
77 ARG -5.88 -2.22 1
78 TYR -4.92 -1.99 1
79 ASP 3.53 1.61 1
80 ASN 2.48 2.05 1
81 MET -3.31 -1.55 1
83 ILE 4.80 2.03 1
86 SER -0.53 -0.77 1
88 LEU -4.42 -1.26 1
89 GLN -4.53 -1.09 1
90 PHE -3.35 -1.54 1
91 TYR -1.77 0.30 1
92 VAL -0.33 0.38 1
93 ASP -8.51 -3.52 1
94 TYR 0.15 1.08 1
95 VAL 3.35 2.72 1
96 ASN 0.29 -0.45 1
99 HIS -3.74 -1.16 1
100 VAL 3.15 1.77 1
101 THR -4.91 -2.31 1
102 ALA -6.03 -2.00 1
103 TYR -2.15 -1.60 1
107 LEU 1.37 0.49 1
108 THR -0.16 2.75 1
111 VAL -4.24 -2.01 1
112 VAL 1.99 1.35 1
113 ASN 3.93 2.36 1
114 LYS -2.58 -1.16 1
116 ALA -2.21 -1.88 1
117 THR -3.84 -1.44 1
118 PHE -1.03 -0.64 1
119 THR -1.65 0.25 1
120 VAL -2.22 -1.06 1
121 ASN -1.50 -0.63 1
122 THR 0.62 -0.74 1
123 LYS 3.68 2.45 1
124 ASP 1.10 0.73 1
125 ALA -0.75 0.35 1
127 GLU 0.15 0.68 1
130 LEU -2.67 -0.57 1
131 SER -2.59 -1.01 1
132 LEU -6.63 -2.05 1
133 ALA -3.91 -0.36 1
134 ILE -3.64 -1.23 1
135 GLU -4.86 -2.29 1
138 SER -4.74 -1.87 1
139 LYS 1.67 0.44 1
140 ALA -3.04 -1.42 1
141 GLU -0.16 0.39 1
142 ILE -3.06 -0.37 1
143 SER -2.68 -1.31 1
145 THR -2.17 -0.41 1
146 ASP -0.05 0.11 1
147 ASN 1.09 1.18 1
148 GLN 5.26 2.14 1
149 ASP -1.55 -1.54 1
151 THR -5.38 -1.76 1
153 SER -0.61 -0.28 1
154 VAL -1.43 -1.62 1
155 SER -4.82 -2.31 1
156 TYR -6.32 -2.78 1
157 LEU -4.25 -2.62 1
159 VAL 0.05 -0.42 1
160 LEU -5.34 -1.13 1
163 ASP -0.53 -0.57 1
164 TYR -2.49 -0.95 1
165 SER -2.48 -1.79 1
166 ILE -0.50 -0.02 1
167 LEU 0.75 0.82 1
168 VAL -1.50 -0.78 1
169 LYS -5.84 -2.25 1
170 TYR -4.17 -0.87 1
171 ASN 3.29 1.41 1
172 GLU 4.07 1.31 1
173 GLN -3.61 -1.93 1
175 VAL 3.38 0.22 1
178 SER -0.79 -1.81 1
180 PHE -1.92 -0.40 1
181 THR 0.32 0.87 1
182 ALA -5.04 -2.42 1
183 ARG -0.61 -0.88 1
184 VAL -1.10 -1.82 1
185 THR -2.51 -1.48 1
187 ASP -0.70 -0.29 1
188 ASP 0.23 1.67 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15924_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.51
_LACS_plot.Line_1_terminator_val_y_1 5.35
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.21
_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 6.23
_LACS_plot.Line_2_terminator_val_y_2 -3.35
_LACS_plot.Y_axis_chem_shift_offset -0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
174 HIS 0.69 3.20 0
82 HIS 0.40 3.42 0
109 HIS -6.13 7.26 0
10 VAL -0.33 0.27 1
12 VAL 0.42 -0.15 1
13 ASN 0.28 0.10 1
15 LEU -0.33 0.28 1
16 ASP -0.31 0.05 1
17 VAL 1.61 -0.93 1
18 THR 0.67 -0.08 1
19 SER 0.61 0.19 1
20 LEU -1.62 0.61 1
21 ARG 0.21 0.68 1
23 PHE -2.79 2.59 1
24 ASP -4.93 3.60 1
25 LEU -5.42 5.18 1
26 VAL -0.09 -0.44 1
27 ILE -4.44 3.17 1
29 PHE 0.91 1.80 1
30 THR 0.15 -0.48 1
31 ILE 0.95 -0.25 1
32 LYS 1.49 -1.12 1
33 LYS 0.18 -0.07 1
35 GLU -3.95 2.51 1
36 ILE -4.45 2.21 1
37 THR -4.51 2.64 1
39 GLU -4.70 5.04 1
40 VAL -2.90 1.27 1
41 ARG -1.72 1.04 1
42 MET 0.04 0.38 1
44 SER 2.68 -1.04 1
46 LYS 0.91 0.35 1
47 VAL -4.29 2.14 1
48 ALA -6.70 5.01 1
49 GLN -1.81 1.63 1
51 THR 0.64 0.26 1
52 ILE -1.10 0.87 1
53 THR -2.33 1.61 1
54 ASP -0.63 0.34 1
55 ASN 1.66 -0.34 1
56 LYS 6.23 -4.41 1
57 ASP -1.87 0.07 1
59 THR -5.63 4.09 1
60 VAL -4.96 2.19 1
61 THR -0.63 0.76 1
62 VAL -2.47 0.85 1
63 ARG -4.75 3.51 1
64 TYR -3.80 3.59 1
65 ALA -2.78 0.22 1
67 SER -1.96 0.98 1
68 GLU -5.90 4.08 1
69 ALA -1.99 0.56 1
71 LEU 1.93 -0.37 1
72 HIS -2.88 2.42 1
73 GLU -6.36 4.14 1
74 MET -7.21 5.67 1
75 ASP -3.82 2.39 1
76 ILE -1.05 0.67 1
77 ARG -5.88 3.66 1
78 TYR -4.92 2.93 1
79 ASP 3.53 -1.92 1
80 ASN 2.48 -0.43 1
81 MET -3.31 1.76 1
83 ILE 4.80 -2.77 1
86 SER -0.53 -0.24 1
88 LEU -4.42 3.16 1
89 GLN -4.53 3.44 1
90 PHE -3.35 1.81 1
91 TYR -1.77 2.07 1
92 VAL -0.33 0.71 1
93 ASP -8.51 4.99 1
94 TYR 0.15 0.93 1
95 VAL 3.35 -0.63 1
96 ASN 0.29 -0.74 1
99 HIS -3.74 2.58 1
100 VAL 3.15 -1.38 1
101 THR -4.91 2.60 1
102 ALA -6.03 4.03 1
103 TYR -2.15 0.55 1
107 LEU 1.37 -0.88 1
108 THR -0.16 2.91 1
111 VAL -4.24 2.23 1
112 VAL 1.99 -0.64 1
113 ASN 3.93 -1.57 1
114 LYS -2.58 1.42 1
116 ALA -2.21 0.33 1
117 THR -3.84 2.40 1
118 PHE -1.03 0.39 1
119 THR -1.65 1.90 1
120 VAL -2.22 1.16 1
121 ASN -1.50 0.87 1
122 THR 0.62 -1.36 1
123 LYS 3.68 -1.23 1
124 ASP 1.10 -0.37 1
125 ALA -0.75 1.10 1
127 GLU 0.15 0.53 1
130 LEU -2.67 2.10 1
131 SER -2.59 1.58 1
132 LEU -6.63 4.58 1
133 ALA -3.91 3.55 1
134 ILE -3.64 2.41 1
135 GLU -4.86 2.57 1
138 SER -4.74 2.87 1
139 LYS 1.67 -1.23 1
140 ALA -3.04 1.62 1
141 GLU -0.16 0.55 1
142 ILE -3.06 2.69 1
143 SER -2.68 1.37 1
145 THR -2.17 1.76 1
146 ASP -0.05 0.16 1
147 ASN 1.09 0.09 1
148 GLN 5.26 -3.12 1
149 ASP -1.55 0.01 1
151 THR -5.38 3.62 1
153 SER -0.61 0.33 1
154 VAL -1.43 -0.19 1
155 SER -4.82 2.51 1
156 TYR -6.32 3.54 1
157 LEU -4.25 1.63 1
159 VAL 0.05 -0.47 1
160 LEU -5.34 4.21 1
163 ASP -0.53 -0.04 1
164 TYR -2.49 1.54 1
165 SER -2.48 0.69 1
166 ILE -0.50 0.48 1
167 LEU 0.75 0.07 1
168 VAL -1.50 0.72 1
169 LYS -5.84 3.59 1
170 TYR -4.17 3.30 1
171 ASN 3.29 -1.88 1
172 GLU 4.07 -2.76 1
173 GLN -3.61 1.68 1
175 VAL 3.38 -3.16 1
178 SER -0.79 -1.02 1
180 PHE -1.92 1.52 1
181 THR 0.32 0.55 1
182 ALA -5.04 2.62 1
183 ARG -0.61 -0.27 1
184 VAL -1.10 -0.72 1
185 THR -2.51 1.03 1
187 ASP -0.70 0.41 1
188 ASP 0.23 1.44 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15924_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.51
_LACS_plot.Line_1_terminator_val_y_1 1.03
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.10
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.32
_LACS_plot.Line_2_terminator_val_x_2 6.23
_LACS_plot.Line_2_terminator_val_y_2 -0.50
_LACS_plot.Y_axis_chem_shift_offset -0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
44 SER 2.68 1.05 0
10 VAL -0.33 0.06 1
12 VAL 0.42 0.02 1
13 ASN 0.28 -0.03 1
15 LEU -0.33 0.00 1
16 ASP -0.31 0.11 1
17 VAL 1.61 0.12 1
18 THR 0.67 0.12 1
19 SER 0.61 0.07 1
20 LEU -1.62 -0.10 1
21 ARG 0.21 -0.57 1
23 PHE -2.79 0.08 1
24 ASP -4.93 0.40 1
25 LEU -5.42 0.00 1
26 VAL -0.09 0.78 1
27 ILE -4.44 0.25 1
29 PHE 0.91 -0.47 1
30 THR 0.15 -0.24 1
31 ILE 0.95 -0.52 1
32 LYS 1.49 0.24 1
33 LYS 0.18 0.21 1
35 GLU -3.95 0.34 1
36 ILE -4.45 1.30 1
37 THR -4.51 0.35 1
39 GLU -4.70 0.36 1
40 VAL -2.90 0.66 1
41 ARG -1.72 0.44 1
42 MET 0.04 -0.69 1
46 LYS 0.91 -0.11 1
47 VAL -4.29 1.28 1
48 ALA -6.70 0.48 1
49 GLN -1.81 0.42 1
51 THR 0.64 0.22 1
52 ILE -1.10 0.74 1
53 THR -2.33 0.19 1
54 ASP -0.63 0.12 1
55 ASN 1.66 -0.04 1
56 LYS 6.23 -0.22 1
57 ASP -1.87 0.15 1
59 THR -5.63 1.04 1
60 VAL -4.96 1.00 1
61 THR -0.63 0.78 1
62 VAL -2.47 0.68 1
63 ARG -4.75 0.94 1
64 TYR -3.80 0.34 1
65 ALA -2.78 0.12 1
67 SER -1.96 0.08 1
68 GLU -5.90 0.16 1
69 ALA -1.99 -0.23 1
71 LEU 1.93 0.00 1
72 HIS -2.88 -0.14 1
73 GLU -6.36 0.79 1
74 MET -7.21 1.07 1
75 ASP -3.82 0.64 1
76 ILE -1.05 0.50 1
77 ARG -5.88 0.71 1
78 TYR -4.92 0.60 1
79 ASP 3.53 -0.51 1
80 ASN 2.48 -0.75 1
81 MET -3.31 0.34 1
82 HIS 0.40 -0.19 1
83 ILE 4.80 0.16 1
86 SER -0.53 0.05 1
88 LEU -4.42 0.57 1
89 GLN -4.53 1.17 1
90 PHE -3.35 0.47 1
91 TYR -1.77 0.24 1
92 VAL -0.33 0.26 1
93 ASP -8.51 0.38 1
94 TYR 0.15 0.06 1
95 VAL 3.35 -0.47 1
96 ASN 0.29 0.16 1
99 HIS -3.74 0.21 1
100 VAL 3.15 0.02 1
101 THR -4.91 0.87 1
102 ALA -6.03 1.37 1
103 TYR -2.15 0.47 1
107 LEU 1.37 -0.28 1
108 THR -0.16 0.69 1
109 HIS -6.13 1.12 1
111 VAL -4.24 0.62 1
112 VAL 1.99 -0.78 1
113 ASN 3.93 -0.66 1
114 LYS -2.58 0.21 1
116 ALA -2.21 0.48 1
117 THR -3.84 1.40 1
118 PHE -1.03 0.50 1
119 THR -1.65 0.75 1
120 VAL -2.22 0.69 1
121 ASN -1.50 0.44 1
122 THR 0.62 -0.11 1
123 LYS 3.68 -0.30 1
124 ASP 1.10 0.00 1
125 ALA -0.75 -0.07 1
127 GLU 0.15 -0.03 1
130 LEU -2.67 0.74 1
131 SER -2.59 0.33 1
132 LEU -6.63 1.11 1
133 ALA -3.91 0.27 1
134 ILE -3.64 1.09 1
135 GLU -4.86 0.52 1
138 SER -4.74 0.13 1
139 LYS 1.67 0.09 1
140 ALA -3.04 0.39 1
141 GLU -0.16 -0.10 1
142 ILE -3.06 0.70 1
143 SER -2.68 0.33 1
145 THR -2.17 0.16 1
146 ASP -0.05 0.20 1
147 ASN 1.09 0.06 1
148 GLN 5.26 -0.28 1
149 ASP -1.55 0.11 1
151 THR -5.38 -0.24 1
153 SER -0.61 0.40 1
154 VAL -1.43 0.49 1
155 SER -4.82 1.21 1
156 TYR -6.32 1.24 1
157 LEU -4.25 0.32 1
159 VAL 0.05 0.39 1
160 LEU -5.34 0.25 1
163 ASP -0.53 0.93 1
164 TYR -2.49 0.35 1
165 SER -2.48 1.03 1
166 ILE -0.50 0.37 1
167 LEU 0.75 0.44 1
168 VAL -1.50 0.50 1
169 LYS -5.84 0.75 1
170 TYR -4.17 0.59 1
171 ASN 3.29 -0.33 1
172 GLU 4.07 -0.84 1
173 GLN -3.61 0.41 1
174 HIS 0.69 -0.22 1
175 VAL 3.38 0.20 1
178 SER -0.79 -0.76 1
180 PHE -1.92 0.09 1
181 THR 0.32 0.74 1
182 ALA -5.04 0.20 1
183 ARG -0.61 0.66 1
184 VAL -1.10 0.75 1
185 THR -2.51 0.48 1
187 ASP -0.70 0.13 1
188 ASP 0.23 -0.25 1
stop_
save_