## assignments for P43G calbindin
##calcium-loaded

01 LYS HG- 1.620
01 LYS HG+ 1.620
01 LYS HD- 1.730
01 LYS HD+ 1.730
01 LYS HB- 1.780
01 LYS HB+ 1.800
01 LYS HE- 2.950
01 LYS HE+ 2.950
01 LYS HA 4.600
01 LYS HN 8.760
02 SER HB- 4.060
02 SER HB+ 4.440
02 SER HA 4.780
02 SER HN 9.070
03 PRO HB- 2.000
03 PRO HG- 2.050
03 PRO HG+ 2.230
03 PRO HB+ 2.480
03 PRO HD- 3.980
03 PRO HD+ 3.980
03 PRO HA 4.320
04 GLU HB- 1.980
04 GLU HB+ 2.090
04 GLU HG- 2.270
04 GLU HG+ 2.460
04 GLU HA 4.080
04 GLU HN 8.800
05 GLU HB- 2.070
05 GLU HG- 2.250
05 GLU HB+ 2.430
05 GLU HG+ 2.440
05 GLU HA 4.160
05 GLU HN 8.080
06 LEU MD- 0.950
06 LEU MD+ 1.030
06 LEU HB- 1.700
06 LEU HG 1.880
06 LEU HB+ 2.190
06 LEU HA 4.260
06 LEU HN 8.540
07 LYS HG- 0.800
07 LYS HG+ 1.160
07 LYS HD- 1.360
07 LYS HD+ 1.360
07 LYS HB- 1.780
07 LYS HB+ 1.900
07 LYS HE- 2.610
07 LYS HE+ 2.670
07 LYS HA 3.970
07 LYS HN 8.260
08 GLY HA- 3.920
08 GLY HA+ 3.920
08 GLY HN 7.890
09 ILE MG2 0.980
09 ILE MD1 1.170
09 ILE HG1- 1.200
09 ILE HG1+ 1.000
09 ILE HB 2.210
09 ILE HA 3.870
09 ILE HN 8.060
10 PHE HB- 2.670
10 PHE HB+ 3.310
10 PHE HA 3.530
10 PHE HD 6.320
10 PHE HE 7.110
10 PHE HZ 7.620
10 PHE HN 8.450
11 GLU HB- 1.950
11 GLU HB+ 2.100
11 GLU HG- 2.320
11 GLU HG+ 2.680
11 GLU HA 3.750
11 GLU HN 8.560
12 LYS HG- 0.540
12 LYS HG+ 1.080
12 LYS HD- 1.420
12 LYS HD+ 1.500
12 LYS HB- 1.740
12 LYS HB+ 1.790
12 LYS HE- 2.710
12 LYS HE+ 2.710
12 LYS HA 3.850
12 LYS HN 7.720
13 TYR HB- 2.440
13 TYR HB+ 2.800
13 TYR HA 4.000
13 TYR HE 6.750
13 TYR HN 7.270
13 TYR HD 7.440
14 ALA MB 0.430
14 ALA HA 3.800
14 ALA HN 8.330
15 ALA MB 1.430
15 ALA HA 4.300
15 ALA HN 6.890
16 LYS HG- 1.480
16 LYS HG+ 1.560
16 LYS HD- 1.640
16 LYS HD+ 1.720
16 LYS HB+ 1.970
16 LYS HB- 2.140
16 LYS HE- 2.740
16 LYS HE+ 2.950
16 LYS HA 3.850
16 LYS HN 7.160
17 GLU HB- 1.890
17 GLU HG- 1.950
17 GLU HB+ 2.000
17 GLU HG+ 2.220
17 GLU HA 4.720
17 GLU HN 9.710
18 GLY HA- 3.640
18 GLY HA+ 3.950
18 GLY HN 9.000
19 ASP HB- 2.630
19 ASP HB+ 2.860
19 ASP HA 4.690
19 ASP HN 8.330
20 PRO HG- 1.890
20 PRO HB- 2.010
20 PRO HG+ 2.070
20 PRO HB+ 2.220
20 PRO HD- 4.010
20 PRO HD+ 4.010
20 PRO HA 4.800
21 ASN HB- 2.690
21 ASN HB+ 3.000
21 ASN HA 4.950
21 ASN HD2- 6.960
21 ASN HD2+ 7.940
21 ASN HN 9.010
22 GLN HB- 1.830
22 GLN HG- 2.020
22 GLN HB+ 2.120
22 GLN HG+ 2.250
22 GLN HA 5.120
22 GLN HE2- 6.560
22 GLN HN 7.230
22 GLN HE2+ 7.480
23 LEU MD+ 0.380
23 LEU MD- 0.720
23 LEU HG 1.310
23 LEU HB- 1.600
23 LEU HB+ 2.020
23 LEU HA 5.490
23 LEU HN 9.560
24 SER HB- 4.180
24 SER HB+ 4.370
24 SER HA 4.840
24 SER HN 10.080
25 LYS HB- 0.440
25 LYS HG- 0.650
25 LYS HG+ 1.050
25 LYS HB+ 1.300
25 LYS HD- 1.390
25 LYS HD+ 1.400
25 LYS HE- 2.530
25 LYS HE+ 2.580
25 LYS HA 3.460
25 LYS HN 8.730
26 GLU HB- 1.880
26 GLU HB+ 1.960
26 GLU HG- 2.220
26 GLU HG+ 2.320
26 GLU HA 3.970
26 GLU HN 8.010
27 GLU HB+ 1.860
27 GLU HG- 2.270
27 GLU HB- 2.360
27 GLU HG+ 2.450
27 GLU HA 3.970
27 GLU HN 7.750
28 LEU MD- 1.060
28 LEU MD+ 1.120
28 LEU HB+ 1.560
28 LEU HG 1.730
28 LEU HB- 2.320
28 LEU HA 4.070
28 LEU HN 8.780
29 LYS HG- 1.200
29 LYS HG+ 1.330
29 LYS HD- 1.630
29 LYS HD+ 1.630
29 LYS HB- 1.910
29 LYS HB+ 2.100
29 LYS HE- 2.810
29 LYS HE+ 2.860
29 LYS HA 3.640
29 LYS HN 8.420
30 LEU MD- 0.000
30 LEU MD+ 0.000
30 LEU HB- 1.750
30 LEU HB+ 1.860
30 LEU HG 1.870
30 LEU HA 4.030
30 LEU HN 7.620
31 LEU MD- 0.790
31 LEU MD+ 0.930
31 LEU HB+ 1.190
31 LEU HG 1.230
31 LEU HB- 1.740
31 LEU HA 2.340
31 LEU HN 8.150
32 LEU MD- 0.790
32 LEU MD+ 0.920
32 LEU HB- 1.350
32 LEU HB+ 1.950
32 LEU HG 2.020
32 LEU HA 3.850
32 LEU HN 8.850
33 GLN HB- 1.960
33 GLN HB+ 2.170
33 GLN HG- 2.370
33 GLN HG+ 2.530
33 GLN HA 3.840
33 GLN HE2- 6.770
33 GLN HE2+ 7.330
33 GLN HN 8.570
34 THR MG2 1.220
34 THR HA 4.060
34 THR HB 4.160
34 THR HN 7.580
35 GLU HB+ 1.280
35 GLU HB- 1.440
35 GLU HG- 2.180
35 GLU HG+ 2.670
35 GLU HA 4.210
35 GLU HN 8.400
36 PHE HB- 2.750
36 PHE HB+ 3.340
36 PHE HA 5.240
36 PHE HE 7.010
36 PHE HZ 7.120
36 PHE HD 7.140
36 PHE HN 7.810
37 PRO HB- 1.210
37 PRO HG- 1.930
37 PRO HG+ 1.960
37 PRO HB+ 2.430
37 PRO HD- 3.080
37 PRO HD+ 3.530
37 PRO HA 4.180
38 SER HB+ 3.910
38 SER HB- 3.980
38 SER HA 4.220
38 SER HN 8.410
39 LEU MD- 0.750
39 LEU MD+ 0.750
39 LEU HB- 1.590
39 LEU HG 1.690
39 LEU HB+ 1.850
39 LEU HA 4.170
39 LEU HN 7.950
40 LEU MD- 0.790
40 LEU MD+ 0.930
40 LEU HG 1.540
40 LEU HB+ 1.690
40 LEU HB- 1.720
40 LEU HA 4.430
40 LEU HN 7.750
41 LYS HG- 1.380
41 LYS HG+ 1.460
41 LYS HD- 1.640
41 LYS HD+ 1.700
41 LYS HB- 1.730
41 LYS HB+ 1.970
41 LYS HE- 3.000
41 LYS HE+ 3.000
41 LYS HA 4.460
41 LYS HN 7.400
42 GLY HA- 3.950
42 GLY HA+ 4.100
42 GLY HN 8.140
43 GLY HA- 3.850
43 GLY HA+ 4.120
43 GLY HN 8.370
44 SER HB+ 3.780
44 SER HB- 3.880
44 SER HA 4.760
44 SER HN 8.030
45 THR MG2 1.290
45 THR HA 4.430
45 THR HB 4.540
45 THR HN 8.350
46 LEU MD- 0.940
46 LEU MD+ 0.940
46 LEU HG 1.550
46 LEU HB+ 1.620
46 LEU HB- 1.840
46 LEU HA 3.980
46 LEU HN 8.770
47 ASP HB- 2.540
47 ASP HB+ 2.700
47 ASP HA 4.190
47 ASP HN 8.090
48 GLU HB+ 2.000
48 GLU HB- 2.190
48 GLU HG- 2.310
48 GLU HG+ 2.370
48 GLU HA 4.030
48 GLU HN 7.750
49 LEU MD- 0.800
49 LEU MD+ 0.840
49 LEU HB+ 1.580
49 LEU HG 1.590
49 LEU HB- 1.760
49 LEU HA 4.180
49 LEU HN 8.370
50 PHE HB- 2.980
50 PHE HB+ 3.210
50 PHE HA 3.640
50 PHE HE 7.120
50 PHE HD 7.130
50 PHE HZ 7.150
50 PHE HN 8.980
51 GLU HB- 1.880
51 GLU HB+ 2.100
51 GLU HG- 2.150
51 GLU HG+ 2.340
51 GLU HA 3.970
51 GLU HN 7.830
52 GLU HG- 2.000
52 GLU HB- 2.070
52 GLU HB+ 2.120
52 GLU HG+ 2.250
52 GLU HA 3.890
52 GLU HN 7.700
53 LEU MD+ 0.730
53 LEU MD- 0.820
53 LEU HB- 1.120
53 LEU HB+ 1.640
53 LEU HG 2.020
53 LEU HA 4.150
53 LEU HN 7.890
54 ASP HB- 1.580
54 ASP HB+ 2.510
54 ASP HA 4.550
54 ASP HN 8.010
55 LYS HG- 1.500
55 LYS HG+ 1.600
55 LYS HD- 1.740
55 LYS HD+ 1.740
55 LYS HB- 1.870
55 LYS HB+ 1.940
55 LYS HE- 3.090
55 LYS HE+ 3.130
55 LYS HA 4.050
55 LYS HN 8.050
56 ASN HB- 2.850
56 ASN HB+ 3.300
56 ASN HA 4.820
56 ASN HD2- 6.630
56 ASN HN 7.930
56 ASN HD2+ 8.030
57 GLY HA- 3.840
57 GLY HA+ 3.840
57 GLY HN 7.600
58 ASP HB+ 2.450
58 ASP HB- 3.140
58 ASP HA 4.640
58 ASP HN 8.230
59 GLY HA- 3.710
59 GLY HA+ 4.270
59 GLY HN 10.500
60 GLU HB- 1.440
60 GLU HB+ 1.900
60 GLU HG- 2.010
60 GLU HG+ 2.170
60 GLU HA 5.130
60 GLU HN 7.770
61 VAL MG- 0.480
61 VAL MG+ 1.250
61 VAL HB 2.350
61 VAL HA 5.100
61 VAL HN 10.330
62 SER HB- 4.200
62 SER HB+ 4.510
62 SER HA 4.880
62 SER HG 5.980
62 SER HN 9.550
63 PHE HB- 2.450
63 PHE HB+ 2.650
63 PHE HA 3.280
63 PHE HD 6.490
63 PHE HE 7.130
63 PHE HZ 7.350
63 PHE HN 9.600
64 GLU HB- 1.890
64 GLU HB+ 2.050
64 GLU HG- 2.240
64 GLU HG+ 2.240
64 GLU HA 3.870
64 GLU HN 8.450
65 GLU HB- 1.650
65 GLU HB+ 1.840
65 GLU HG- 2.350
65 GLU HG+ 2.570
65 GLU HA 4.070
65 GLU HN 7.000
66 PHE HB+ 3.110
66 PHE HB- 3.270
66 PHE HA 3.960
66 PHE HD 6.910
66 PHE HZ 7.090
66 PHE HE 7.160
66 PHE HN 8.890
67 GLN HB- 1.890
67 GLN HB+ 1.940
67 GLN HG- 2.150
67 GLN HG+ 2.340
67 GLN HA 3.480
67 GLN HE2- 5.740
67 GLN HE2+ 6.150
67 GLN HN 7.580
68 VAL MG+ 0.830
68 VAL MG- 1.030
68 VAL HB 1.950
68 VAL HA 3.570
68 VAL HN 7.080
69 LEU MD- 0.570
69 LEU MD+ 0.710
69 LEU HB+ 1.190
69 LEU HG 1.270
69 LEU HB- 1.300
69 LEU HA 3.780
69 LEU HN 7.120
70 VAL MG- 0.620
70 VAL MG+ 0.760
70 VAL HB 1.960
70 VAL HA 3.100
70 VAL HN 6.000
71 LYS HG- 1.400
71 LYS HG+ 1.460
71 LYS HD- 1.600
71 LYS HD+ 1.600
71 LYS HB- 1.740
71 LYS HB+ 1.820
71 LYS HE- 2.900
71 LYS HE+ 2.900
71 LYS HA 3.970
71 LYS HN 7.400
72 LYS HD- 1.450
72 LYS HG- 1.480
72 LYS HG+ 1.540
72 LYS HD+ 1.600
72 LYS HB- 1.830
72 LYS HB+ 1.860
72 LYS HE- 2.720
72 LYS HE+ 2.840
72 LYS HA 4.120
72 LYS HN 7.440
73 ILE MG2 0.180
73 ILE MD1 0.590
73 ILE HG1- 0.700
73 ILE HG1+ 1.190
73 ILE HB 1.740
73 ILE HA 4.010
73 ILE HN 7.390
74 SER HB+ 3.860
74 SER HB- 3.860
74 SER HA 4.500
74 SER HN 7.760
75 GLN HB- 1.940
75 GLN HB+ 2.100
75 GLN HG- 2.300
75 GLN HG+ 2.300
75 GLN HA 4.150
75 GLN HE2- 6.780
75 GLN HE2+ 7.500
75 GLN HN 7.640
00 MET HB- 1.880
00 MET HB+ 1.960
00 MET ME 2.090
00 MET HG- 2.190
00 MET HG+ 2.190
00 MET HA 4.270