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 bmr6029_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 -3.26
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.82
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.46
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 5.16
_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
106 ILE 3.90 -0.10 0
109 HIS 2.30 5.00 0
21 ASN -0.75 0.17 1
22 ARG -2.26 -0.05 1
23 GLN -5.99 -2.34 1
24 ALA 0.90 0.40 1
25 SER -1.60 0.00 1
26 GLU -5.20 -0.80 1
27 PHE -1.60 -1.40 1
28 ILE -1.40 -0.30 1
30 ALA -1.80 -1.30 1
31 GLN 3.90 2.40 1
33 VAL -1.70 -1.10 1
34 ASP -2.40 -1.40 1
35 GLU 4.40 4.00 1
36 LYS 5.10 3.60 1
37 THR 6.70 4.60 1
38 LEU 5.15 3.15 1
39 ALA 2.20 2.60 1
40 ASP 1.70 2.80 1
41 ALA 3.00 2.60 1
42 ALA 2.30 2.50 1
43 GLN 6.40 4.50 1
44 LEU 3.40 3.30 1
45 ALA 1.60 0.60 1
46 SER -0.50 0.10 1
47 LEU 2.70 2.90 1
48 ALA -0.50 -1.90 1
49 ASP -0.70 -0.70 1
50 GLU 0.00 -0.90 1
51 THR 0.30 0.00 1
53 GLU 4.50 4.00 1
55 ARG 3.70 3.00 1
56 SER 4.40 3.00 1
57 ILE 6.10 5.00 1
58 VAL 6.50 5.40 1
59 ILE 4.10 3.50 1
60 LEU 4.10 2.90 1
61 ALA 4.10 3.70 1
62 LYS 4.10 3.70 1
63 GLN 3.10 2.70 1
64 ARG 1.30 1.70 1
65 PHE -1.90 0.00 1
66 ASN 2.40 0.70 1
67 LEU 0.20 -0.80 1
68 ARG 0.10 -0.10 1
69 GLU 1.00 0.60 1
70 ARG -2.90 -1.30 1
71 ASP -1.50 -1.10 1
72 VAL 4.60 3.40 1
73 GLN 3.80 2.60 1
74 SER 1.30 1.00 1
75 LEU -0.70 -0.10 1
76 HIS 2.90 0.40 1
77 ALA -4.70 -1.40 1
78 THR -2.00 -0.50 1
79 PHE 0.30 0.90 1
80 VAL -0.70 -0.30 1
82 PHE 1.00 1.30 1
83 THR -5.80 -2.70 1
84 ALA 2.80 1.70 1
85 GLN 3.30 2.40 1
86 SER 0.70 0.50 1
87 ARG 4.90 1.40 1
88 MET -5.90 -0.70 1
89 SER -4.60 -1.30 1
91 ILE -6.00 -1.90 1
92 ASN -1.50 -2.00 1
93 ILE -3.90 -2.20 1
94 ASP 3.60 2.10 1
95 ASN 2.30 1.30 1
96 ARG -2.30 -0.70 1
97 MET -0.80 -0.40 1
98 ILE -1.40 -0.60 1
99 ARG -7.00 -3.20 1
100 LYS -8.00 -3.40 1
102 SER -0.70 0.10 1
103 VAL 6.20 4.80 1
104 ASP 3.30 2.90 1
105 ALA 1.80 2.30 1
107 ARG 6.20 5.00 1
108 ARG 4.20 3.30 1
110 VAL 5.30 4.60 1
111 GLU 3.30 2.30 1
112 ALA 3.00 1.80 1
113 ASN -0.70 0.00 1
116 HIS -2.90 -0.70 1
117 PHE 0.30 0.10 1
119 THR 4.90 3.90 1
120 ASP 2.60 2.70 1
121 VAL 6.20 4.00 1
122 ASP 5.20 4.70 1
123 GLN 4.50 3.30 1
124 LYS 3.60 3.30 1
125 VAL 6.50 5.10 1
126 ASP 3.10 3.20 1
127 GLN 4.40 3.40 1
128 VAL 4.90 4.10 1
129 ALA 3.40 2.20 1
130 ARG 3.80 3.10 1
131 GLN 0.80 0.10 1
133 ALA -4.60 -2.40 1
134 THR -1.00 0.60 1
136 LEU -4.90 -1.80 1
137 VAL -1.50 -0.70 1
138 VAL -2.60 -1.70 1
139 VAL -7.20 -4.00 1
140 GLU -3.60 -1.60 1
142 SER -1.00 -1.10 1
143 ARG -1.80 -0.80 1
144 VAL 3.20 1.30 1
145 LEU -1.60 -0.10 1
147 VAL -6.20 -2.40 1
148 ILE -3.90 -1.80 1
149 ALA -3.10 -1.50 1
150 LEU -2.40 -1.50 1
151 LYS -4.40 -1.40 1
152 ASP 0.70 0.60 1
153 ILE -0.00 -0.30 1
154 VAL 0.30 0.00 1
155 LYS -0.20 0.00 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6029_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 4.74
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.54
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 -1.54
_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
106 ILE 3.90 -4.00 0
109 HIS 2.30 2.70 0
21 ASN -0.75 0.92 1
22 ARG -2.26 2.21 1
23 GLN -5.99 3.65 1
24 ALA 0.90 -0.50 1
25 SER -1.60 1.60 1
26 GLU -5.20 4.40 1
27 PHE -1.60 0.20 1
28 ILE -1.40 1.10 1
30 ALA -1.80 0.50 1
31 GLN 3.90 -1.50 1
33 VAL -1.70 0.60 1
34 ASP -2.40 1.00 1
35 GLU 4.40 -0.40 1
36 LYS 5.10 -1.50 1
37 THR 6.70 -2.10 1
38 LEU 5.15 -2.00 1
39 ALA 2.20 0.40 1
40 ASP 1.70 1.10 1
41 ALA 3.00 -0.40 1
42 ALA 2.30 0.20 1
43 GLN 6.40 -1.90 1
44 LEU 3.40 -0.10 1
45 ALA 1.60 -1.00 1
46 SER -0.50 0.60 1
47 LEU 2.70 0.20 1
48 ALA -0.50 -1.40 1
49 ASP -0.70 0.00 1
50 GLU 0.00 -0.90 1
51 THR 0.30 -0.30 1
53 GLU 4.50 -0.50 1
55 ARG 3.70 -0.70 1
56 SER 4.40 -1.40 1
57 ILE 6.10 -1.10 1
58 VAL 6.50 -1.10 1
59 ILE 4.10 -0.60 1
60 LEU 4.10 -1.20 1
61 ALA 4.10 -0.40 1
62 LYS 4.10 -0.40 1
63 GLN 3.10 -0.40 1
64 ARG 1.30 0.40 1
65 PHE -1.90 1.90 1
66 ASN 2.40 -1.70 1
67 LEU 0.20 -1.00 1
68 ARG 0.10 -0.20 1
69 GLU 1.00 -0.40 1
70 ARG -2.90 1.60 1
71 ASP -1.50 0.40 1
72 VAL 4.60 -1.20 1
73 GLN 3.80 -1.20 1
74 SER 1.30 -0.30 1
75 LEU -0.70 0.60 1
76 HIS 2.90 -2.50 1
77 ALA -4.70 3.30 1
78 THR -2.00 1.50 1
79 PHE 0.30 0.60 1
80 VAL -0.70 0.40 1
82 PHE 1.00 0.30 1
83 THR -5.80 3.10 1
84 ALA 2.80 -1.10 1
85 GLN 3.30 -0.90 1
86 SER 0.70 -0.20 1
87 ARG 4.90 -3.50 1
88 MET -5.90 5.20 1
89 SER -4.60 3.30 1
91 ILE -6.00 4.10 1
92 ASN -1.50 -0.50 1
93 ILE -3.90 1.70 1
94 ASP 3.60 -1.50 1
95 ASN 2.30 -1.00 1
96 ARG -2.30 1.60 1
97 MET -0.80 0.40 1
98 ILE -1.40 0.80 1
99 ARG -7.00 3.80 1
100 LYS -8.00 4.60 1
102 SER -0.70 0.80 1
103 VAL 6.20 -1.40 1
104 ASP 3.30 -0.40 1
105 ALA 1.80 0.50 1
107 ARG 6.20 -1.20 1
108 ARG 4.20 -0.90 1
110 VAL 5.30 -0.70 1
111 GLU 3.30 -1.00 1
112 ALA 3.00 -1.20 1
113 ASN -0.70 0.70 1
116 HIS -2.90 2.20 1
117 PHE 0.30 -0.20 1
119 THR 4.90 -1.00 1
120 ASP 2.60 0.10 1
121 VAL 6.20 -2.20 1
122 ASP 5.20 -0.50 1
123 GLN 4.50 -1.20 1
124 LYS 3.60 -0.30 1
125 VAL 6.50 -1.40 1
126 ASP 3.10 0.10 1
127 GLN 4.40 -1.00 1
128 VAL 4.90 -0.80 1
129 ALA 3.40 -1.20 1
130 ARG 3.80 -0.70 1
131 GLN 0.80 -0.70 1
133 ALA -4.60 2.20 1
134 THR -1.00 1.60 1
136 LEU -4.90 3.10 1
137 VAL -1.50 0.80 1
138 VAL -2.60 0.90 1
139 VAL -7.20 3.20 1
140 GLU -3.60 2.00 1
142 SER -1.00 -0.10 1
143 ARG -1.80 1.00 1
144 VAL 3.20 -1.90 1
145 LEU -1.60 1.50 1
147 VAL -6.20 3.80 1
148 ILE -3.90 2.10 1
149 ALA -3.10 1.60 1
150 LEU -2.40 0.90 1
151 LYS -4.40 3.00 1
152 ASP 0.70 -0.10 1
153 ILE -0.00 -0.30 1
154 VAL 0.30 -0.30 1
155 LYS -0.20 0.20 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6029_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 0.81
_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 0.19
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 -0.61
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
39 ALA 2.20 -1.57 0
36 LYS 5.10 -1.88 0
21 ASN -0.75 0.03 1
22 ARG -2.26 0.47 1
23 GLN -5.99 0.41 1
24 ALA 0.90 -0.02 1
25 SER -1.60 0.09 1
26 GLU -5.20 -0.01 1
27 PHE -1.60 0.40 1
28 ILE -1.40 0.23 1
30 ALA -1.80 -0.35 1
31 GLN 3.90 -0.28 1
33 VAL -1.70 0.08 1
34 ASP -2.40 0.21 1
35 GLU 4.40 -0.84 1
37 THR 6.70 -0.61 1
38 LEU 5.15 -0.55 1
40 ASP 1.70 -0.56 1
41 ALA 3.00 -0.45 1
42 ALA 2.30 -0.69 1
43 GLN 6.40 -0.67 1
44 LEU 3.40 -0.45 1
45 ALA 1.60 -0.49 1
46 SER -0.50 0.12 1
47 LEU 2.70 -0.47 1
48 ALA -0.50 -0.04 1
49 ASP -0.70 -0.08 1
50 GLU 0.00 -0.04 1
51 THR 0.30 0.01 1
53 GLU 4.50 -0.39 1
55 ARG 3.70 -0.22 1
56 SER 4.40 -0.16 1
57 ILE 6.10 -0.71 1
58 VAL 6.50 -0.60 1
59 ILE 4.10 -0.43 1
60 LEU 4.10 -0.11 1
61 ALA 4.10 -0.12 1
62 LYS 4.10 -0.24 1
63 GLN 3.10 -0.29 1
64 ARG 1.30 -0.40 1
65 PHE -1.90 0.22 1
66 ASN 2.40 -0.03 1
67 LEU 0.20 -0.02 1
68 ARG 0.10 -0.19 1
69 GLU 1.00 -0.28 1
70 ARG -2.90 0.11 1
71 ASP -1.50 0.07 1
72 VAL 4.60 -0.43 1
73 GLN 3.80 -0.12 1
74 SER 1.30 -0.13 1
75 LEU -0.70 -0.12 1
76 HIS 2.90 -0.18 1
77 ALA -4.70 0.49 1
78 THR -2.00 0.15 1
79 PHE 0.30 0.11 1
80 VAL -0.70 -0.01 1
82 PHE 1.00 0.07 1
83 THR -5.80 0.22 1
84 ALA 2.80 -0.37 1
85 GLN 3.30 -0.23 1
86 SER 0.70 -0.19 1
87 ARG 4.90 -0.82 1
88 MET -5.90 0.85 1
89 SER -4.60 0.32 1
91 ILE -6.00 0.81 1
92 ASN -1.50 1.05 1
93 ILE -3.90 0.36 1
94 ASP 3.60 -0.45 1
95 ASN 2.30 -0.29 1
96 ARG -2.30 0.24 1
97 MET -0.80 0.54 1
98 ILE -1.40 1.06 1
99 ARG -7.00 1.16 1
100 LYS -8.00 1.72 1
102 SER -0.70 0.17 1
103 VAL 6.20 -0.53 1
104 ASP 3.30 -0.38 1
105 ALA 1.80 -0.25 1
106 ILE 3.90 -0.24 1
107 ARG 6.20 -0.70 1
108 ARG 4.20 -0.29 1
109 HIS 2.30 -0.42 1
110 VAL 5.30 -0.75 1
111 GLU 3.30 -0.14 1
112 ALA 3.00 -0.13 1
113 ASN -0.70 0.00 1
116 HIS -2.90 0.11 1
117 PHE 0.30 -0.23 1
119 THR 4.90 -0.09 1
120 ASP 2.60 -0.14 1
121 VAL 6.20 -0.52 1
122 ASP 5.20 -0.08 1
123 GLN 4.50 -0.16 1
124 LYS 3.60 -0.26 1
125 VAL 6.50 -0.67 1
126 ASP 3.10 -0.18 1
127 GLN 4.40 -0.40 1
128 VAL 4.90 -0.53 1
129 ALA 3.40 0.31 1
130 ARG 3.80 -0.19 1
131 GLN 0.80 0.07 1
133 ALA -4.60 0.51 1
134 THR -1.00 0.17 1
136 LEU -4.90 0.47 1
137 VAL -1.50 0.71 1
138 VAL -2.60 0.95 1
139 VAL -7.20 0.97 1
140 GLU -3.60 0.61 1
142 SER -1.00 -0.05 1
143 ARG -1.80 0.16 1
144 VAL 3.20 -0.24 1
145 LEU -1.60 0.20 1
147 VAL -6.20 0.92 1
148 ILE -3.90 0.59 1
149 ALA -3.10 0.26 1
150 LEU -2.40 0.47 1
151 LYS -4.40 0.45 1
152 ASP 0.70 0.10 1
153 ILE -0.00 -0.01 1
154 VAL 0.30 0.01 1
155 LYS -0.20 0.02 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6029_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 -3.49
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.73
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.95
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 2.39
_LACS_plot.Y_axis_chem_shift_offset 0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
129 ALA 3.40 -6.10 0
21 ASN -0.75 -1.20 1
22 ARG -2.26 -1.60 1
23 GLN -5.99 -0.20 1
24 ALA 0.90 -1.50 1
25 SER -1.60 -0.30 1
26 GLU -5.20 -3.20 1
27 PHE -1.60 -1.40 1
30 ALA -1.80 -1.90 1
31 GLN 3.90 1.80 1
33 VAL -1.70 -2.10 1
34 ASP -2.40 0.60 1
35 GLU 4.40 0.50 1
36 LYS 5.10 0.70 1
37 THR 6.70 2.50 1
38 LEU 5.15 -1.70 1
39 ALA 2.20 0.40 1
40 ASP 1.70 0.80 1
41 ALA 3.00 1.20 1
42 ALA 2.30 1.40 1
43 GLN 6.40 2.50 1
44 LEU 3.40 0.80 1
45 ALA 1.60 -0.30 1
46 SER -0.50 -0.10 1
47 LEU 2.70 -0.50 1
48 ALA -0.50 -1.90 1
49 ASP -0.70 -0.30 1
50 GLU 0.00 0.20 1
53 GLU 4.50 3.10 1
55 ARG 3.70 3.70 1
56 SER 4.40 2.30 1
57 ILE 6.10 0.40 1
58 VAL 6.50 2.30 1
59 ILE 4.10 1.50 1
60 LEU 4.10 1.40 1
61 ALA 4.10 1.40 1
62 LYS 4.10 2.40 1
63 GLN 3.10 2.70 1
64 ARG 1.30 0.90 1
65 PHE -1.90 -1.40 1
66 ASN 2.40 -0.50 1
67 LEU 0.20 -1.00 1
68 ARG 0.10 0.10 1
69 GLU 1.00 -0.50 1
70 ARG -2.90 -1.60 1
71 ASP -1.50 0.70 1
72 VAL 4.60 1.29 1
73 GLN 3.80 2.40 1
74 SER 1.30 0.20 1
75 LEU -0.70 -0.90 1
76 HIS 2.90 -0.40 1
77 ALA -4.70 -1.30 1
78 THR -2.00 -1.50 1
79 PHE 0.30 -0.90 1
82 PHE 1.00 0.80 1
83 THR -5.80 -1.50 1
84 ALA 2.80 1.20 1
85 GLN 3.30 0.80 1
86 SER 0.70 0.10 1
87 ARG 4.90 -2.30 1
88 MET -5.90 -3.00 1
89 SER -4.60 -1.00 1
91 ILE -6.00 -5.70 1
92 ASN -1.50 -0.90 1
93 ILE -3.90 -2.70 1
94 ASP 3.60 -0.90 1
95 ASN 2.30 -0.60 1
96 ARG -2.30 -0.60 1
97 MET -0.80 -1.10 1
98 ILE -1.40 1.40 1
99 ARG -7.00 -2.70 1
100 LYS -8.00 -1.70 1
102 SER -0.70 0.00 1
103 VAL 6.20 0.00 1
104 ASP 3.30 2.00 1
105 ALA 1.80 3.10 1
106 ILE 3.90 1.60 1
107 ARG 6.20 1.90 1
108 ARG 4.20 2.50 1
109 HIS 2.30 3.70 1
110 VAL 5.30 2.60 1
111 GLU 3.30 4.00 1
112 ALA 3.00 0.80 1
113 ASN -0.70 -0.30 1
116 HIS -2.90 -0.30 1
119 THR 4.90 2.30 1
120 ASP 2.60 1.60 1
121 VAL 6.20 0.80 1
122 ASP 5.20 2.70 1
123 GLN 4.50 3.10 1
124 LYS 3.60 2.20 1
125 VAL 6.50 1.10 1
126 ASP 3.10 2.00 1
127 GLN 4.40 2.60 1
128 VAL 4.90 1.90 1
130 ARG 3.80 2.00 1
131 GLN 0.80 0.60 1
133 ALA -4.60 -1.90 1
136 LEU -4.90 -1.80 1
137 VAL -1.50 -2.30 1
138 VAL -2.60 -1.70 1
139 VAL -7.20 -4.50 1
140 GLU -3.60 0.10 1
142 SER -1.00 -2.20 1
143 ARG -1.80 -1.40 1
144 VAL 3.20 -1.00 1
145 LEU -1.60 -0.10 1
147 VAL -6.20 -2.50 1
148 ILE -3.90 -1.30 1
149 ALA -3.10 -1.80 1
150 LEU -2.40 -1.90 1
151 LYS -4.40 -1.10 1
152 ASP 0.70 -0.10 1
153 ILE -0.00 -0.55 1
154 VAL 0.30 -0.46 1
155 LYS -0.20 -0.84 1
stop_
save_