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 bmr5960_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.48
_LACS_plot.Line_1_terminator_val_y_1 -3.27
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.96
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.67
_LACS_plot.Line_2_terminator_val_x_2 7.04
_LACS_plot.Line_2_terminator_val_y_2 5.07
_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
53 THR 3.15 -3.77 0
12 GLU 0.03 3.45 1
14 ASP 3.16 2.67 1
15 LYS 2.90 1.99 1
16 TRP 1.40 2.48 1
17 GLU -0.02 -0.32 1
18 LYS -1.23 -0.77 1
21 LEU 4.04 2.87 1
22 ARG -2.70 -1.53 1
28 GLN -0.59 -1.29 1
31 LEU 5.31 3.73 1
34 ILE 4.81 3.17 1
35 VAL 5.95 4.62 1
36 TRP 5.80 4.33 1
37 ALA 4.65 2.41 1
39 ARG 3.26 2.22 1
40 GLU 1.98 1.40 1
41 LEU 5.46 3.04 1
42 GLU 4.00 2.80 1
43 ARG 3.85 2.28 1
44 PHE 0.16 -0.69 1
45 ALA 3.61 0.55 1
46 VAL -1.82 -1.57 1
47 ASN -0.88 -0.63 1
50 LEU 3.63 1.85 1
52 GLU 0.55 1.54 1
54 SER 5.33 4.11 1
55 GLU 3.98 2.73 1
58 ARG 4.50 3.43 1
59 GLN 4.07 3.16 1
63 GLN 2.81 2.10 1
64 LEU -0.72 0.63 1
65 GLN 1.18 1.18 1
67 SER 3.54 2.48 1
68 LEU 3.74 2.44 1
69 GLN -2.20 -1.30 1
72 SER 3.11 2.39 1
73 GLU 4.46 3.45 1
74 GLU 3.89 2.41 1
75 LEU 5.34 3.46 1
76 ARG 4.77 3.51 1
77 SER 4.07 4.65 1
79 TYR 3.90 2.49 1
80 ASN 6.66 5.75 1
81 THR 4.71 3.05 1
83 ALA 7.05 4.69 1
84 VAL 3.53 2.92 1
85 LEU 5.39 4.67 1
86 TYR 5.83 4.10 1
88 VAL 2.26 2.62 1
89 HIS -1.91 -0.69 1
90 GLN 4.32 0.86 1
91 ARG -0.43 -0.49 1
92 ILE 1.39 0.30 1
93 ASP -5.48 -3.43 1
94 VAL -0.45 0.11 1
95 LYS 4.68 3.17 1
98 LYS 3.13 3.10 1
99 GLU 2.29 2.53 1
100 ALA 4.54 2.77 1
102 ASP 4.00 1.72 1
103 LYS 4.76 3.30 1
104 ILE 0.28 2.70 1
105 GLU 2.83 2.27 1
106 GLU 3.02 2.44 1
107 GLU 3.23 2.08 1
108 GLN 2.32 1.50 1
109 ASN 2.75 1.91 1
110 LYS 1.77 1.13 1
111 SER 1.45 0.76 1
112 LYS 1.32 0.63 1
113 LYS 1.32 0.63 1
114 LYS 0.57 0.18 1
115 ALA 0.96 0.51 1
116 GLN 0.67 0.48 1
117 GLN 0.40 0.04 1
118 ALA 0.19 -0.11 1
119 ALA 0.41 -0.03 1
120 ALA -0.12 -0.19 1
121 ASP 0.52 -0.04 1
127 GLN 0.99 0.45 1
128 VAL 0.60 0.03 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5960_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.48
_LACS_plot.Line_1_terminator_val_y_1 2.21
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.04
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.33
_LACS_plot.Line_2_terminator_val_x_2 7.04
_LACS_plot.Line_2_terminator_val_y_2 -1.97
_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
53 THR 3.15 -6.92 0
12 GLU 0.03 3.42 1
14 ASP 3.16 -0.49 1
15 LYS 2.90 -0.91 1
16 TRP 1.40 1.08 1
17 GLU -0.02 -0.30 1
18 LYS -1.23 0.46 1
21 LEU 4.04 -1.17 1
22 ARG -2.70 1.17 1
28 GLN -0.59 -0.70 1
31 LEU 5.31 -1.58 1
34 ILE 4.81 -1.64 1
35 VAL 5.95 -1.33 1
36 TRP 5.80 -1.47 1
37 ALA 4.65 -2.24 1
39 ARG 3.26 -1.04 1
40 GLU 1.98 -0.58 1
41 LEU 5.46 -2.42 1
42 GLU 4.00 -1.20 1
43 ARG 3.85 -1.57 1
44 PHE 0.16 -0.85 1
45 ALA 3.61 -3.06 1
46 VAL -1.82 0.25 1
47 ASN -0.88 0.25 1
50 LEU 3.63 -1.78 1
52 GLU 0.55 0.99 1
54 SER 5.33 -1.22 1
55 GLU 3.98 -1.25 1
58 ARG 4.50 -1.07 1
59 GLN 4.07 -0.91 1
63 GLN 2.81 -0.71 1
64 LEU -0.72 1.35 1
65 GLN 1.18 0.00 1
67 SER 3.54 -1.06 1
68 LEU 3.74 -1.30 1
69 GLN -2.20 0.90 1
72 SER 3.11 -0.72 1
73 GLU 4.46 -1.01 1
74 GLU 3.89 -1.48 1
75 LEU 5.34 -1.88 1
76 ARG 4.77 -1.26 1
77 SER 4.07 0.58 1
79 TYR 3.90 -1.41 1
80 ASN 6.66 -0.91 1
81 THR 4.71 -1.66 1
83 ALA 7.05 -2.36 1
84 VAL 3.53 -0.61 1
85 LEU 5.39 -0.72 1
86 TYR 5.83 -1.73 1
88 VAL 2.26 0.36 1
89 HIS -1.91 1.22 1
90 GLN 4.32 -3.46 1
91 ARG -0.43 -0.06 1
92 ILE 1.39 -1.09 1
93 ASP -5.48 2.05 1
94 VAL -0.45 0.56 1
95 LYS 4.68 -1.51 1
98 LYS 3.13 -0.03 1
99 GLU 2.29 0.24 1
100 ALA 4.54 -1.77 1
102 ASP 4.00 -2.28 1
103 LYS 4.76 -1.46 1
104 ILE 0.28 2.42 1
105 GLU 2.83 -0.56 1
106 GLU 3.02 -0.58 1
107 GLU 3.23 -1.15 1
108 GLN 2.32 -0.82 1
109 ASN 2.75 -0.84 1
110 LYS 1.77 -0.64 1
111 SER 1.45 -0.69 1
112 LYS 1.32 -0.69 1
113 LYS 1.32 -0.69 1
114 LYS 0.57 -0.39 1
115 ALA 0.96 -0.45 1
116 GLN 0.67 -0.19 1
117 GLN 0.40 -0.36 1
118 ALA 0.19 -0.30 1
119 ALA 0.41 -0.44 1
120 ALA -0.12 -0.07 1
121 ASP 0.52 -0.56 1
127 GLN 0.99 -0.54 1
128 VAL 0.60 -0.57 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5960_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.48
_LACS_plot.Line_1_terminator_val_y_1 0.30
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.06
_LACS_plot.Line_2_terminator_val_x_2 7.04
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_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
93 ASP -5.48 0.47 0
12 GLU 0.03 -0.40 1
14 ASP 3.16 -0.32 1
15 LYS 2.90 -0.37 1
16 TRP 1.40 -0.63 1
17 GLU -0.02 0.30 1
18 LYS -1.23 0.06 1
21 LEU 4.04 -1.01 1
22 ARG -2.70 0.14 1
28 GLN -0.59 0.43 1
31 LEU 5.31 -0.22 1
34 ILE 4.81 -0.54 1
35 VAL 5.95 -0.71 1
36 TRP 5.80 -0.48 1
37 ALA 4.65 -1.03 1
39 ARG 3.26 -0.29 1
40 GLU 1.98 -0.60 1
41 LEU 5.46 -0.53 1
42 GLU 4.00 -0.28 1
43 ARG 3.85 -0.37 1
44 PHE 0.16 -0.10 1
45 ALA 3.61 -0.37 1
46 VAL -1.82 -0.09 1
47 ASN -0.88 -0.44 1
50 LEU 3.63 -0.25 1
52 GLU 0.55 -0.50 1
53 THR 3.15 -0.09 1
54 SER 5.33 -0.54 1
55 GLU 3.98 -0.35 1
58 ARG 4.50 -0.88 1
59 GLN 4.07 -0.36 1
63 GLN 2.81 -0.21 1
64 LEU -0.72 -0.17 1
65 GLN 1.18 -0.08 1
67 SER 3.54 -0.58 1
68 LEU 3.74 -0.32 1
69 GLN -2.20 0.07 1
72 SER 3.11 -0.29 1
73 GLU 4.46 -0.15 1
74 GLU 3.89 -0.22 1
75 LEU 5.34 -0.53 1
76 ARG 4.77 -0.20 1
77 SER 4.07 -1.00 1
79 TYR 3.90 -0.50 1
80 ASN 6.66 -0.49 1
81 THR 4.71 -0.51 1
83 ALA 7.05 -0.84 1
84 VAL 3.53 -0.55 1
85 LEU 5.39 -0.70 1
86 TYR 5.83 -0.33 1
88 VAL 2.26 -0.07 1
89 HIS -1.91 -0.04 1
90 GLN 4.32 -0.45 1
91 ARG -0.43 -0.24 1
92 ILE 1.39 -0.24 1
94 VAL -0.45 0.00 1
95 LYS 4.68 -0.43 1
98 LYS 3.13 -0.31 1
99 GLU 2.29 0.01 1
100 ALA 4.54 -0.31 1
102 ASP 4.00 -0.15 1
103 LYS 4.76 -0.45 1
104 ILE 0.28 -0.35 1
105 GLU 2.83 -0.34 1
106 GLU 3.02 -0.35 1
107 GLU 3.23 -0.29 1
108 GLN 2.32 -0.21 1
109 ASN 2.75 -0.21 1
110 LYS 1.77 -0.18 1
111 SER 1.45 -0.15 1
112 LYS 1.32 -0.14 1
113 LYS 1.32 -0.15 1
114 LYS 0.57 -0.12 1
115 ALA 0.96 -0.13 1
116 GLN 0.67 -0.14 1
117 GLN 0.40 -0.10 1
118 ALA 0.19 -0.11 1
119 ALA 0.41 -0.09 1
120 ALA -0.12 -0.07 1
121 ASP 0.52 -0.08 1
127 GLN 0.99 -0.07 1
128 VAL 0.60 -0.08 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5960_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.48
_LACS_plot.Line_1_terminator_val_y_1 -1.77
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.81
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.48
_LACS_plot.Line_2_terminator_val_x_2 7.04
_LACS_plot.Line_2_terminator_val_y_2 2.38
_LACS_plot.Y_axis_chem_shift_offset -0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
94 VAL -5.48 -0.41 0
12 GLU 0.03 1.51 1
14 ASP 3.16 2.05 1
15 LYS 2.90 2.37 1
16 TRP 1.40 -0.83 1
17 GLU -0.02 0.42 1
18 LYS -1.23 0.52 1
21 LEU 4.04 1.91 1
28 GLN -0.59 -1.17 1
31 LEU 5.31 1.91 1
34 ILE 4.81 1.13 1
35 VAL 5.95 2.32 1
36 TRP 5.80 0.98 1
37 ALA 4.65 0.65 1
39 ARG 3.26 3.25 1
40 GLU 1.98 1.82 1
41 LEU 5.46 1.37 1
42 GLU 4.00 3.66 1
43 ARG 3.85 0.72 1
44 PHE 0.16 -2.10 1
45 ALA 3.61 -2.08 1
46 VAL -1.82 -1.58 1
50 LEU 3.63 -0.62 1
52 GLU 0.55 -1.40 1
53 THR 3.15 0.06 1
54 SER 5.33 1.25 1
55 GLU 3.98 2.57 1
58 ARG 4.50 2.70 1
59 GLN 4.07 3.24 1
63 GLN 2.81 2.08 1
64 LEU -0.72 0.24 1
67 SER 1.18 0.36 1
68 LEU 3.54 1.57 1
69 GLN 3.74 0.95 1
72 SER -2.20 0.91 1
73 GLU 3.11 2.19 1
74 GLU 4.46 1.58 1
75 LEU 3.89 0.99 1
76 ARG 5.34 1.64 1
77 SER 4.77 2.65 1
79 TYR 4.07 0.40 1
80 ASN 3.90 1.51 1
81 THR 6.66 1.05 1
83 ALA 4.71 1.75 1
84 VAL 7.05 1.47 1
85 LEU 3.53 -0.14 1
86 TYR 5.39 0.60 1
88 VAL 5.83 4.58 1
89 HIS 2.26 2.98 1
90 GLN -1.91 -1.45 1
91 ARG 4.32 -0.93 1
92 ILE -0.43 -0.41 1
93 ASP 1.39 -0.79 1
95 LYS -0.45 0.96 1
98 LYS 4.68 1.37 1
99 GLU 3.13 2.33 1
100 ALA 2.29 0.69 1
102 ASP 4.54 3.14 1
103 LYS 4.00 3.15 1
104 ILE 4.76 1.78 1
105 GLU 0.28 1.99 1
106 GLU 2.83 2.19 1
107 GLU 3.02 2.37 1
108 GLN 3.23 1.80 1
109 ASN 2.32 1.44 1
110 LYS 2.75 1.17 1
111 SER 1.77 0.43 1
112 LYS 1.45 0.31 1
113 LYS 1.32 0.28 1
114 LYS 1.32 0.00 1
115 ALA 0.57 0.11 1
116 GLN 0.96 0.02 1
117 GLN 0.67 -0.42 1
118 ALA 0.40 -0.48 1
119 ALA 0.19 -0.48 1
120 ALA 0.41 -0.44 1
121 ASP -0.12 0.13 1
127 GLN 0.52 0.02 1
128 VAL 0.99 -0.17 1
129 SER 0.60 -0.05 1
stop_
save_