Hi!
I am currently using AMBER9. I have prepared the required files as it
says in the manual here
http://ambermd.org/tutorials/advanced/tutorial4/. But when I want to run
makeDIST_RST it gives this:
makeDIST_RST -upb 7col.dist -pdb gcg_b.amb.pdb -rst RST.dist
# makeDIST_RST
Currently configured for up to 5000 atoms
Using MAP file /usr/local/amber9/dat/map.DG-AMBER
ERROR no map function for H ALA :data= 26 ALA H 26 ALA QB 3.42
what possibly could be the problem? I attached the 7col.dist file and
gcg_b.amb.pdb file. Please, take a look at it, I would appreciate any
advice.
Thanks,
Olena
26 ALA H 26 ALA QB 3.42
26 ALA QB 27 ARG+ H 3.42
26 ALA QB 28 GLU- HN 6.52
26 ALA QB 85 VAL QQG 4.41
27 ARG+ HA 28 GLU- HN 3.42
27 ARG+ H 27 ARG+ QB 3.53
27 ARG+ H 27 ARG+ QD 6.35
27 ARG+ QB 28 GLU- HN 5.60
27 ARG+ QD 28 GLU- HN 5.23
27 ARG+ QG 28 GLU- HN 2.42
28 GLU- HN 28 GLU- QB 3.40
28 GLU- HN 28 GLU- QG 6.38
28 GLU- HN 29 GLU- HN 2.40
29 GLU- HN 29 GLU- HA 2.86
29 GLU- HN 29 GLU- QB 3.59
29 GLU- HN 29 GLU- QG 6.38
29 GLU- HN 30 LEU QB 5.34
29 GLU- QB 30 LEU H 4.80
30 LEU HG 34 LEU HG 2.40
30 LEU HG 85 VAL QQG 6.03
30 LEU H 30 LEU HG 5.50
30 LEU H 30 LEU QB 3.25
30 LEU H 30 LEU QQD 5.26
30 LEU H 31 ARG+ H 3.39
30 LEU H 32 ARG+ QD 6.38
30 LEU QQD 31 ARG+ H 4.42
30 LEU QQD 32 ARG+ H 5.94
30 LEU QQD 33 ARG+ H 6.42
30 LEU QQD 33 ARG+ QB 3.88
30 LEU QQD 33 ARG+ QD 5.42
30 LEU QQD 34 LEU HG 3.41
30 LEU QQD 34 LEU QQD 4.38
30 LEU QQD 81 SER QB 3.75
30 LEU QQD 82 VAL HA 3.41
30 LEU QQD 82 VAL HB 3.41
30 LEU QQD 82 VAL QQG 3.69
30 LEU QQD 85 VAL HB 3.41
30 LEU QQD 85 VAL QQG 4.38
30 LEU QQD 86 LEU HA 4.50
30 LEU QQD 86 LEU QB 3.87
31 ARG+ HA 34 LEU QB 3.38
31 ARG+ HA 34 LEU QQD 3.71
31 ARG+ HA 85 VAL QQG 4.11
31 ARG+ HG2 85 VAL QG1 5.18
31 ARG+ HG2 85 VAL QG2 5.18
31 ARG+ HG3 85 VAL QG1 5.18
31 ARG+ HG3 85 VAL QG2 5.18
31 ARG+ H 31 ARG+ HG2 5.50
31 ARG+ H 31 ARG+ HG3 5.50
31 ARG+ H 31 ARG+ QB 3.84
31 ARG+ H 31 ARG+ QD 6.38
31 ARG+ H 32 ARG+ H 2.80
31 ARG+ QB 81 SER QB 5.50
31 ARG+ QB 85 VAL QQG 4.27
31 ARG+ QD 85 VAL QQG 6.08
31 ARG+ QG 85 VAL HB 3.85
31 ARG+ QG 85 VAL QQG 2.96
32 ARG+ H 32 ARG+ HA 2.86
32 ARG+ H 32 ARG+ QD 6.04
32 ARG+ H 33 ARG+ H 2.68
32 ARG+ H 34 LEU HG 4.29
33 ARG+ H 33 ARG+ QB 2.39
33 ARG+ H 33 ARG+ QD 6.38
33 ARG+ H 33 ARG+ QG 6.38
33 ARG+ QB 34 LEU H 3.61
34 LEU HA 37 LEU QB 2.69
34 LEU HB2 89 ILE QD1 4.01
34 LEU HB3 89 ILE QD1 4.01
34 LEU HG 82 VAL QQG 6.42
34 LEU H 34 LEU QB 2.93
34 LEU H 34 LEU QQD 3.55
34 LEU H 35 ARG+ H 3.11
34 LEU H 35 ARG+ QD 6.38
34 LEU QB 35 ARG+ HA 3.85
34 LEU QB 35 ARG+ H 4.36
34 LEU QB 89 ILE QD1 3.24
34 LEU QQD 35 ARG+ H 5.76
34 LEU QQD 46 PHE HZ 3.41
34 LEU QQD 46 PHE HD 5.49
34 LEU QQD 71 LEU QQD 4.38
34 LEU QQD 82 VAL HA 6.42
34 LEU QQD 82 VAL HB 6.24
34 LEU QQD 82 VAL QQG 4.38
34 LEU QQD 85 VAL HB 6.42
34 LEU QQD 85 VAL QQG 4.38
34 LEU QQD 89 ILE QD1 4.41
35 ARG+ H 35 ARG+ QB 3.37
35 ARG+ H 35 ARG+ QD 6.38
35 ARG+ H 35 ARG+ QG 5.61
35 ARG+ QB 36 ASP- HN 3.93
35 ARG+ QD 89 ILE QD1 5.88
35 ARG+ QD 89 ILE QG2 5.82
35 ARG+ QG 36 ASP- HN 6.38
36 ASP- HB2 37 LEU H 4.26
36 ASP- HB3 37 LEU H 4.26
36 ASP- HN 36 ASP- QB 2.82
36 ASP- HN 37 LEU H 3.14
36 ASP- QB 37 LEU H 3.42
37 LEU HA 41 ASN QD2 4.67
37 LEU H 37 LEU QB 2.76
37 LEU H 37 LEU QD1 4.94
37 LEU H 37 LEU QD2 4.94
37 LEU QB 38 ILE QD1 3.49
37 LEU QD1 69 ASN H 6.52
37 LEU QD2 69 ASN H 6.52
37 LEU QQD 38 ILE H 6.33
37 LEU QQD 41 ASN QD2 3.30
37 LEU QQD 46 PHE HZ 4.23
37 LEU QQD 46 PHE HD 8.44
37 LEU QQD 69 ASN H 5.11
37 LEU QQD 69 ASN QB 4.16
37 LEU QQD 71 LEU QB 3.04
37 LEU QQD 71 LEU QQD 7.23
38 ILE HB 39 GLU- HN 3.64
38 ILE HB 40 GLY H 5.50
38 ILE H 38 ILE HB 2.40
38 ILE H 38 ILE QD1 4.85
38 ILE H 38 ILE QG1 6.38
38 ILE H 39 GLU- HN 3.05
38 ILE H 41 ASN H 4.76
38 ILE QD1 46 PHE HE 6.36
38 ILE QD1 99 PHE HZ 6.52
38 ILE QG1 46 PHE HZ 6.38
38 ILE QG1 46 PHE HE 7.99
38 ILE QG1 99 PHE HZ 6.38
38 ILE QG2 46 PHE HZ 6.52
38 ILE QG2 99 PHE HD 8.65
39 GLU- HA 41 ASN H 3.79
39 GLU- HA 102 LYS+ QG 2.39
39 GLU- HN 39 GLU- QB 3.96
39 GLU- HN 39 GLU- QG 6.38
39 GLU- HN 40 GLY H 3.05
39 GLU- HN 41 ASN H 3.89
39 GLU- QB 40 GLY H 4.30
39 GLU- QG 102 LYS+ QG 3.48
40 GLY H 41 ASN H 2.46
41 ASN H 41 ASN QB 3.21
41 ASN QB 69 ASN QB 3.00
41 ASN QD2 69 ASN QB 4.20
42 ARG+ QB 66 VAL QQG 5.16
42 ARG+ QD 100 VAL QQG 4.73
42 ARG+ QD 101 ASN QB 3.24
43 VAL HA 68 TYR HA 5.50
43 VAL HA 100 VAL HA 2.52
43 VAL HB 66 VAL QQG 3.41
43 VAL HB 68 TYR HA 2.62
43 VAL HB 100 VAL QQG 3.86
43 VAL H 43 VAL HB 2.99
43 VAL H 68 TYR HA 3.55
43 VAL QG1 61 PHE HZ 4.50
43 VAL QG2 61 PHE HZ 4.50
43 VAL QQG 45 ILE H 6.42
43 VAL QQG 61 PHE HZ 3.32
43 VAL QQG 61 PHE HD 5.49
43 VAL QQG 61 PHE HE 6.68
43 VAL QQG 66 VAL QQG 4.38
43 VAL QQG 67 VAL H 6.42
43 VAL QQG 67 VAL QQG 4.38
43 VAL QQG 68 TYR HA 4.35
43 VAL QQG 68 TYR QB 4.25
43 VAL QQG 100 VAL HA 5.07
43 VAL QQG 100 VAL HB 3.41
43 VAL QQG 100 VAL QQG 3.69
43 VAL QQG 124 LEU QQD 4.38
44 MET HA 45 ILE H 2.90
44 MET HA 69 ASN H 5.50
44 MET H 45 ILE H 4.23
44 MET H 45 ILE QG2 4.84
44 MET QB 100 VAL HB 5.34
44 MET QG 45 ILE H 3.73
44 MET QG 46 PHE HZ 5.14
44 MET QG 46 PHE HD 7.31
44 MET QG 46 PHE HE 7.32
45 ILE HA 46 PHE H 2.90
45 ILE H 45 ILE QD1 6.52
45 ILE H 45 ILE QG1 4.40
45 ILE H 45 ILE QG2 5.99
45 ILE QD1 46 PHE H 6.52
45 ILE QD1 57 VAL QQG 4.74
45 ILE QD1 58 LYS+ HA 4.94
45 ILE QD1 68 TYR HB2 4.82
45 ILE QD1 68 TYR HB3 4.82
45 ILE QD1 68 TYR QB 4.05
45 ILE QD1 68 TYR HD 6.42
45 ILE QG1 46 PHE H 6.38
45 ILE QG1 57 VAL QQG 4.27
45 ILE QG2 46 PHE H 5.77
45 ILE QG2 58 LYS+ HA 3.82
46 PHE HA 47 SER H 2.40
46 PHE HA 71 LEU QB 4.12
46 PHE HA 73 LEU QQD 4.05
46 PHE HB2 86 LEU QD1 6.79
46 PHE HB2 86 LEU QD2 6.79
46 PHE HB3 86 LEU QD1 6.79
46 PHE HB3 86 LEU QD2 6.79
46 PHE H 46 PHE HB2 4.20
46 PHE H 46 PHE HB3 4.20
46 PHE H 46 PHE QB 3.39
46 PHE H 97 ASN HA 5.31
46 PHE H 97 ASN H 2.52
46 PHE QB 47 SER H 4.32
46 PHE QB 73 LEU QQD 4.48
46 PHE QB 86 LEU QQD 4.49
46 PHE QB 95 VAL QQG 5.66
46 PHE QB 97 ASN HA 5.34
46 PHE QB 97 ASN QB 4.13
46 PHE HD 71 LEU QB 4.43
46 PHE HD 73 LEU QD1 5.55
46 PHE HD 73 LEU QD2 5.55
46 PHE HD 86 LEU QQD 5.49
46 PHE HD 97 ASN QB 8.51
46 PHE HD 99 PHE HD 9.76
46 PHE HE 71 LEU HG 7.01
46 PHE HE 71 LEU QB 6.17
46 PHE HE 99 PHE HD 8.24
47 SER HA 72 GLU- HA 5.50
47 SER HA 73 LEU H 4.29
47 SER HA 95 VAL HB 4.66
47 SER HA 95 VAL QQG 4.20
47 SER HB2 48 LYS+ HN 4.38
47 SER HB3 48 LYS+ HN 4.38
47 SER H 47 SER QB 3.47
47 SER H 48 LYS+ HN 4.26
47 SER H 48 LYS+ QB 5.34
47 SER H 71 LEU H 5.47
47 SER H 72 GLU- HA 2.71
47 SER H 72 GLU- HN 5.00
47 SER H 73 LEU HG 5.50
47 SER H 73 LEU H 4.14
47 SER H 74 ASP- QB 5.34
47 SER QB 71 LEU HA 5.34
47 SER QB 72 GLU- HA 3.89
48 LYS+ HA 73 LEU H 4.14
48 LYS+ HB2 50 TYR HE 7.63
48 LYS+ HB3 50 TYR HE 7.63
48 LYS+ HD2 74 ASP- HN 5.50
48 LYS+ HD3 74 ASP- HN 5.50
48 LYS+ HN 48 LYS+ QB 2.82
48 LYS+ HN 48 LYS+ QD 5.34
48 LYS+ HN 49 SER H 5.00
48 LYS+ HN 73 LEU H 5.00
48 LYS+ HN 95 VAL QQG 6.42
48 LYS+ QB 49 SER H 3.59
48 LYS+ QB 50 TYR HD 7.31
48 LYS+ QB 74 ASP- HN 4.41
48 LYS+ QB 74 ASP- QB 3.88
48 LYS+ QB 95 VAL QQG 3.88
48 LYS+ QD 74 ASP- HN 4.79
48 LYS+ QD 74 ASP- QB 2.37
48 LYS+ QD 95 VAL QQG 3.45
48 LYS+ QG 50 TYR HD 7.31
48 LYS+ QG 50 TYR HE 7.32
48 LYS+ QG 73 LEU H 3.88
48 LYS+ QG 73 LEU QB 4.45
48 LYS+ QG 74 ASP- HA 5.34
48 LYS+ QG 74 ASP- HN 5.34
48 LYS+ QG 74 ASP- QB 3.27
48 LYS+ QG 95 VAL QQG 3.79
49 SER HA 75 GLN QG 6.13
49 SER H 49 SER HA 2.80
49 SER H 50 TYR HA 5.50
49 SER H 50 TYR H 3.79
49 SER H 50 TYR HD 7.63
49 SER H 51 CYS H 5.50
49 SER H 72 GLU- QB 5.34
49 SER H 74 ASP- QB 5.34
50 TYR HA 51 CYS H 2.77
50 TYR H 51 CYS H 3.30
50 TYR HD 74 ASP- HB2 6.70
50 TYR HD 74 ASP- HB3 6.70
50 TYR HE 74 ASP- QB 6.19
51 CYS H 51 CYS HB2 3.89
51 CYS H 51 CYS HB3 3.89
51 CYS H 51 CYS QB 3.36
51 CYS H 54 SER H 5.50
51 CYS H 54 SER QB 5.08
53 HIS HA 55 THR H 5.50
53 HIS HA 56 ARG+ H 5.50
53 HIS HA 56 ARG+ QB 2.51
53 HIS H 54 SER H 3.05
53 HIS H 56 ARG+ QB 3.87
53 HIS QB 54 SER H 4.74
53 HIS QB 96 PRO QD 4.48
53 HIS QB 96 PRO QG 7.27
54 SER HA 96 PRO QG 3.41
54 SER H 55 THR H 3.73
54 SER H 56 ARG+ H 4.04
54 SER QB 96 PRO QB 5.82
54 SER QB 96 PRO QG 7.27
55 THR HA 56 ARG+ H 3.30
55 THR HA 57 VAL H 5.10
55 THR HB 56 ARG+ H 3.70
55 THR H 55 THR HB 2.99
55 THR H 55 THR QG2 5.96
55 THR H 56 ARG+ H 3.36
55 THR QG2 56 ARG+ H 5.87
56 ARG+ HG2 112 PHE HZ 5.50
56 ARG+ HG3 112 PHE HZ 5.50
56 ARG+ H 56 ARG+ HD2 5.50
56 ARG+ H 56 ARG+ HD3 5.50
56 ARG+ H 56 ARG+ HG2 4.85
56 ARG+ H 56 ARG+ HG3 4.85
56 ARG+ H 56 ARG+ QB 2.39
56 ARG+ H 56 ARG+ QD 4.66
56 ARG+ H 56 ARG+ QG 4.04
56 ARG+ QB 57 VAL H 3.73
56 ARG+ QG 57 VAL H 4.56
56 ARG+ QG 112 PHE HZ 4.75
56 ARG+ QG 112 PHE HE 6.49
57 VAL HA 60 LEU H 5.50
57 VAL HA 60 LEU QQD 5.07
57 VAL HB 58 LYS+ HN 3.61
57 VAL HB 96 PRO QG 3.29
57 VAL HB 98 ILE QG1 6.38
57 VAL QQG 61 PHE HZ 4.14
57 VAL QQG 61 PHE HD 5.78
57 VAL QQG 61 PHE HE 8.44
57 VAL QQG 96 PRO QG 6.02
57 VAL QQG 98 ILE QD1 4.41
57 VAL QQG 98 ILE QG1 4.27
57 VAL QQG 111 THR HB 3.41
57 VAL QQG 111 THR QG2 7.39
58 LYS+ QB 59 GLU- HN 4.86
58 LYS+ QG 59 GLU- HN 6.38
58 LYS+ QG 68 TYR HD 8.51
58 LYS+ QG 68 TYR HE 8.52
59 GLU- HN 59 GLU- QB 3.84
59 GLU- HN 59 GLU- QG 6.38
59 GLU- HN 60 LEU H 3.27
59 GLU- QB 60 LEU H 4.40
59 GLU- QG 60 LEU H 6.38
60 LEU HG 61 PHE H 5.07
60 LEU HG 112 PHE HE 7.63
60 LEU HG 114 ALA QB 6.52
60 LEU HG 120 LEU QQD 3.65
60 LEU H 60 LEU HB2 3.30
60 LEU H 60 LEU HB3 3.30
60 LEU H 60 LEU HG 4.54
60 LEU H 60 LEU QB 2.86
60 LEU QB 61 PHE H 3.35
60 LEU QD1 61 PHE HD 6.76
60 LEU QD2 61 PHE HD 6.76
60 LEU QQD 61 PHE HD 5.31
60 LEU QQD 111 THR QG2 4.92
60 LEU QQD 112 PHE HA 4.08
60 LEU QQD 112 PHE HZ 5.20
60 LEU QQD 112 PHE QB 7.26
60 LEU QQD 112 PHE HD 7.41
60 LEU QQD 114 ALA QB 4.98
60 LEU QQD 115 HIS HA 4.53
60 LEU QQD 115 HIS H 6.42
60 LEU QQD 115 HIS QB 4.52
60 LEU QQD 120 LEU QQD 4.84
61 PHE HB2 62 SER H 3.98
61 PHE HB3 62 SER H 3.98
61 PHE H 62 SER H 3.11
61 PHE HZ 98 ILE QG2 6.52
61 PHE HZ 100 VAL QQG 3.41
61 PHE HZ 111 THR QG2 3.42
61 PHE HZ 120 LEU HG 5.50
61 PHE HZ 120 LEU QD1 6.52
61 PHE HZ 120 LEU QD2 6.52
61 PHE QB 62 SER H 3.25
61 PHE QB 66 VAL H 5.34
61 PHE QB 67 VAL HA 5.34
61 PHE HD 64 LEU QQD 6.94
61 PHE HD 66 VAL QQG 5.49
61 PHE HD 124 LEU QQD 7.38
61 PHE HE 64 LEU QQD 7.21
61 PHE HE 98 ILE QG1 5.41
61 PHE HE 98 ILE QG2 5.55
61 PHE HE 111 THR QG2 5.55
61 PHE HE 120 LEU QD1 6.17
61 PHE HE 120 LEU QD2 6.17
61 PHE HE 120 LEU QQD 5.17
61 PHE HE 124 LEU QQD 5.39
62 SER HA 66 VAL H 5.50
62 SER HA 67 VAL HA 3.48
62 SER HA 68 TYR HD 6.95
62 SER H 62 SER QB 2.50
62 SER H 68 TYR HD 7.01
62 SER QB 63 SER H 3.53
62 SER QB 68 TYR HD 6.74
63 SER H 64 LEU H 3.14
63 SER H 64 LEU QB 4.05
64 LEU HG 66 VAL HB 5.50
64 LEU HG 124 LEU HG 2.40
64 LEU H 64 LEU HG 5.50
64 LEU H 64 LEU QB 2.38
64 LEU H 64 LEU QD1 5.53
64 LEU H 64 LEU QD2 5.53
64 LEU H 64 LEU QQD 4.41
64 LEU H 65 GLY H 2.62
64 LEU H 66 VAL H 3.48
64 LEU H 66 VAL QQG 4.03
64 LEU QB 65 GLY H 3.47
64 LEU QB 66 VAL H 2.93
64 LEU QD1 65 GLY H 6.52
64 LEU QD2 65 GLY H 6.52
64 LEU QQD 65 GLY H 5.48
64 LEU QQD 124 LEU QQD 3.97
65 GLY H 65 GLY QA 2.43
65 GLY H 66 VAL H 4.20
65 GLY H 66 VAL QG1 6.52
65 GLY H 66 VAL QG2 6.52
65 GLY H 66 VAL QQG 5.31
66 VAL HA 67 VAL H 2.55
66 VAL HB 67 VAL H 5.50
66 VAL HB 124 LEU QQD 3.41
66 VAL H 66 VAL HB 3.92
66 VAL H 66 VAL QG1 4.88
66 VAL H 66 VAL QG2 4.88
66 VAL H 66 VAL QQG 3.52
66 VAL QQG 68 TYR HA 4.19
66 VAL QQG 124 LEU QQD 3.93
67 VAL HB 68 TYR H 3.45
67 VAL H 67 VAL HB 2.65
67 VAL H 67 VAL QQG 3.41
67 VAL H 68 TYR H 5.19
68 TYR HA 69 ASN H 2.40
68 TYR H 68 TYR QB 3.43
68 TYR H 69 ASN H 4.38
68 TYR QB 69 ASN H 2.41
68 TYR HD 69 ASN H 7.63
68 TYR HD 70 ILE H 7.63
69 ASN HA 70 ILE H 2.52
69 ASN HA 70 ILE QD1 4.82
69 ASN HB2 70 ILE H 4.04
69 ASN HB3 70 ILE H 4.04
69 ASN QB 70 ILE H 3.51
70 ILE HB 71 LEU H 5.50
70 ILE H 70 ILE HB 2.68
70 ILE H 70 ILE QD1 3.64
70 ILE H 70 ILE QG1 6.38
70 ILE H 70 ILE QG2 6.52
70 ILE QD1 71 LEU H 6.52
71 LEU HA 72 GLU- HN 2.77
71 LEU H 71 LEU HG 3.45
71 LEU H 71 LEU QB 3.01
71 LEU H 71 LEU QQD 3.41
71 LEU H 72 GLU- HN 5.13
71 LEU QB 72 GLU- HN 3.93
71 LEU QQD 76 VAL QQG 4.38
72 GLU- HA 73 LEU H 2.46
72 GLU- HA 74 ASP- HN 5.50
72 GLU- HA 75 GLN H 4.88
72 GLU- HN 72 GLU- QB 2.71
72 GLU- HN 73 LEU H 4.23
72 GLU- QB 73 LEU H 3.68
73 LEU HG 95 VAL QQG 3.41
73 LEU H 73 LEU QB 3.28
73 LEU H 73 LEU QQD 3.82
73 LEU H 75 GLN H 4.82
73 LEU QD1 83 GLN HA 3.95
73 LEU QD2 83 GLN HA 3.95
73 LEU QQD 83 GLN HA 3.30
73 LEU QQD 83 GLN QB 4.03
73 LEU QQD 83 GLN QG 4.27
73 LEU QQD 86 LEU QB 6.18
73 LEU QQD 86 LEU QQD 5.66
73 LEU QQD 95 VAL HB 3.41
73 LEU QQD 95 VAL QQG 4.38
74 ASP- HN 74 ASP- QB 3.65
74 ASP- HN 75 GLN H 2.46
74 ASP- HN 75 GLN QB 3.94
74 ASP- HN 76 VAL H 3.79
75 GLN H 75 GLN QB 3.06
75 GLN H 76 VAL H 2.74
75 GLN H 76 VAL QQG 5.04
75 GLN QB 76 VAL H 3.15
76 VAL H 76 VAL HB 4.14
76 VAL H 76 VAL QQG 3.68
76 VAL H 79 GLY QA 4.70
76 VAL QQG 78 ASP- HN 5.58
76 VAL QQG 79 GLY H 4.32
76 VAL QQG 79 GLY QA 3.37
76 VAL QQG 82 VAL HB 3.41
76 VAL QQG 82 VAL QQG 7.23
78 ASP- HA 79 GLY H 3.21
78 ASP- HA 81 SER H 3.48
78 ASP- HN 79 GLY H 3.70
78 ASP- QB 79 GLY H 4.12
78 ASP- QB 80 ALA QB 4.79
78 ASP- QB 81 SER H 4.00
79 GLY H 82 VAL HB 5.50
79 GLY H 82 VAL QQG 3.83
80 ALA HA 84 GLU- QB 2.50
80 ALA QB 81 SER H 4.38
81 SER HA 83 GLN H 5.00
81 SER H 81 SER QB 2.93
81 SER H 82 VAL H 3.42
81 SER QB 82 VAL H 3.35
82 VAL H 82 VAL HB 2.83
82 VAL H 82 VAL QQG 3.86
82 VAL QG1 83 GLN H 5.84
82 VAL QG2 83 GLN H 5.84
82 VAL QQG 83 GLN H 4.53
83 GLN H 83 GLN QB 2.39
83 GLN H 83 GLN QG 6.38
83 GLN H 84 GLU- HN 3.21
83 GLN QG 95 VAL QQG 5.33
83 GLN QG 96 PRO HA 6.04
84 GLU- HN 84 GLU- QG 5.42
84 GLU- HN 86 LEU H 4.69
85 VAL HB 86 LEU H 4.48
85 VAL H 85 VAL HB 2.83
85 VAL H 85 VAL QQG 3.93
85 VAL H 86 LEU H 2.52
85 VAL H 86 LEU QB 5.34
85 VAL H 87 THR H 5.50
86 LEU HA 89 ILE QD1 3.51
86 LEU H 86 LEU QB 2.81
86 LEU H 87 THR HB 5.50
86 LEU H 88 GLU- QB 5.34
86 LEU QQD 87 THR H 5.85
86 LEU QQD 89 ILE QD1 5.19
86 LEU QQD 97 ASN H 6.42
86 LEU QQD 97 ASN QD2 5.43
87 THR HA 89 ILE H 5.50
87 THR HA 92 GLN H 3.17
87 THR HB 88 GLU- HN 5.50
87 THR H 87 THR HB 2.96
87 THR H 87 THR QG2 5.15
87 THR H 88 GLU- HN 2.96
87 THR H 88 GLU- QB 5.34
87 THR QG2 88 GLU- HN 3.64
87 THR QG2 89 ILE H 6.52
87 THR QG2 91 ASN H 4.94
88 GLU- HN 88 GLU- QB 2.47
88 GLU- HN 89 ILE H 3.21
88 GLU- HN 89 ILE QG1 4.17
88 GLU- HN 89 ILE QG2 6.52
88 GLU- QB 89 ILE H 3.13
89 ILE HA 91 ASN H 5.31
89 ILE HA 99 PHE HD 7.63
89 ILE HB 90 SER H 3.61
89 ILE HB 91 ASN H 4.20
89 ILE H 89 ILE HA 2.83
89 ILE H 89 ILE HB 2.90
89 ILE H 89 ILE QG1 2.39
89 ILE H 89 ILE QG2 3.70
89 ILE H 90 SER H 2.40
89 ILE QG1 90 SER H 5.34
89 ILE QG2 90 SER H 6.18
89 ILE QG2 99 PHE HZ 4.91
90 SER H 90 SER QB 3.11
90 SER H 91 ASN H 3.02
90 SER H 92 GLN H 4.26
90 SER QB 92 GLN HA 4.58
90 SER QB 92 GLN H 4.15
90 SER QB 92 GLN QB 3.00
90 SER QB 97 ASN QD2 5.18
90 SER QB 99 PHE HZ 2.39
91 ASN HA 92 GLN H 3.21
91 ASN H 91 ASN HA 2.40
91 ASN H 91 ASN QB 3.41
91 ASN H 92 GLN H 3.14
91 ASN QB 92 GLN H 3.76
92 GLN HA 94 THR H 4.29
92 GLN HG2 94 THR H 4.45
92 GLN HG3 94 THR H 4.45
92 GLN H 92 GLN QB 3.07
92 GLN H 92 GLN QG 4.15
92 GLN QB 94 THR H 3.61
92 GLN QB 97 ASN QD2 3.68
92 GLN QE2 94 THR HB 5.34
92 GLN QE2 94 THR H 2.47
92 GLN QE2 97 ASN HA 4.96
92 GLN QG 94 THR H 3.75
94 THR HA 95 VAL H 2.99
94 THR HB 95 VAL H 3.21
94 THR H 94 THR QG2 5.19
94 THR H 95 VAL H 4.38
94 THR QG2 95 VAL H 6.52
95 VAL HA 96 PRO HA 4.69
95 VAL HA 97 ASN HA 5.50
95 VAL HA 97 ASN H 5.50
95 VAL HA 97 ASN QB 5.85
95 VAL HB 96 PRO HA 3.83
95 VAL HB 97 ASN H 5.50
95 VAL H 95 VAL HB 4.04
95 VAL H 95 VAL QQG 4.26
95 VAL QQG 96 PRO HA 4.32
95 VAL QQG 97 ASN QB 7.26
96 PRO QB 98 ILE QD1 3.92
97 ASN HA 98 ILE QD1 3.64
97 ASN H 98 ILE H 5.38
97 ASN H 98 ILE QD1 4.35
97 ASN H 98 ILE QG2 6.52
98 ILE HA 99 PHE H 3.14
98 ILE HA 106 GLY H 5.50
98 ILE HB 99 PHE H 4.32
98 ILE H 98 ILE QD1 4.66
98 ILE H 98 ILE QG2 6.52
98 ILE H 99 PHE H 4.60
98 ILE H 106 GLY H 4.57
98 ILE QD1 111 THR HB 3.67
98 ILE QG1 111 THR HB 6.38
98 ILE QG1 111 THR QG2 4.70
98 ILE QG2 99 PHE H 4.75
98 ILE QG2 111 THR QG2 4.44
99 PHE HA 100 VAL QQG 3.86
99 PHE HA 104 HIS HA 3.17
99 PHE H 99 PHE QB 3.47
99 PHE H 100 VAL H 4.04
99 PHE HZ 104 HIS HB2 5.50
99 PHE HZ 104 HIS HB3 5.50
99 PHE QB 100 VAL H 3.70
99 PHE HD 102 LYS+ HA 7.38
99 PHE HD 104 HIS HA 6.39
99 PHE HD 104 HIS H 7.63
99 PHE HD 104 HIS QB 6.71
100 VAL HB 101 ASN H 3.83
100 VAL H 100 VAL HB 3.21
100 VAL H 100 VAL QQG 3.71
100 VAL H 101 ASN H 4.72
100 VAL H 103 VAL H 3.76
100 VAL QG1 101 ASN H 5.22
100 VAL QG2 101 ASN H 5.22
100 VAL QQG 101 ASN H 4.59
100 VAL QQG 101 ASN QB 3.20
100 VAL QQG 123 LEU QQD 3.93
100 VAL QQG 124 LEU HA 3.41
100 VAL QQG 124 LEU HG 4.84
100 VAL QQG 124 LEU QB 3.11
100 VAL QQG 124 LEU QQD 4.38
101 ASN H 101 ASN HB2 3.79
101 ASN H 101 ASN HB3 3.79
101 ASN H 102 LYS+ HN 3.33
101 ASN H 103 VAL H 4.42
101 ASN QB 123 LEU QQD 5.72
101 ASN QD2 103 VAL QQG 5.38
101 ASN QD2 124 LEU HA 5.34
102 LYS+ HN 102 LYS+ HA 2.86
102 LYS+ HN 102 LYS+ QG 3.13
102 LYS+ HN 103 VAL H 3.42
103 VAL HA 104 HIS H 2.65
103 VAL HB 104 HIS H 4.48
103 VAL HB 123 LEU QD1 3.64
103 VAL HB 123 LEU QD2 3.64
103 VAL HB 123 LEU QQD 3.13
103 VAL H 103 VAL HB 2.68
103 VAL H 103 VAL QQG 3.77
103 VAL QQG 104 HIS H 3.94
103 VAL QQG 123 LEU QQD 3.69
104 HIS HA 105 VAL H 2.55
104 HIS HD2 105 VAL H 5.50
104 HIS H 104 HIS QB 2.68
104 HIS H 105 VAL H 5.50
104 HIS QB 105 VAL HA 4.79
104 HIS QB 105 VAL H 3.87
104 HIS QB 106 GLY H 3.56
105 VAL HB 106 GLY H 3.08
105 VAL H 105 VAL HB 3.33
105 VAL H 105 VAL QQG 3.91
105 VAL H 106 GLY H 2.99
105 VAL QQG 106 GLY H 4.35
105 VAL QQG 106 GLY QA 6.08
105 VAL QQG 110 ARG+ QB 4.20
105 VAL QQG 111 THR HA 3.44
105 VAL QQG 111 THR HB 3.41
105 VAL QQG 111 THR QG2 4.41
105 VAL QQG 114 ALA QB 4.65
105 VAL QQG 120 LEU QQD 6.58
105 VAL QQG 123 LEU QQD 4.38
106 GLY H 106 GLY QA 2.52
106 GLY H 107 GLY H 4.23
106 GLY H 107 GLY QA 5.34
106 GLY QA 107 GLY H 3.06
106 GLY QA 110 ARG+ QB 2.43
107 GLY H 110 ARG+ QB 3.32
110 ARG+ HA 120 LEU QQD 4.74
110 ARG+ H 110 ARG+ QD 4.29
110 ARG+ H 110 ARG+ QG 3.28
110 ARG+ H 111 THR H 3.58
110 ARG+ QB 111 THR H 3.10
110 ARG+ QD 111 THR H 5.34
110 ARG+ QD 120 LEU QQD 3.67
111 THR HA 114 ALA QB 3.42
111 THR HB 112 PHE H 3.11
111 THR H 111 THR HB 2.90
111 THR H 111 THR QG2 4.91
111 THR H 112 PHE H 5.34
111 THR H 112 PHE QB 5.26
111 THR QG2 112 PHE H 5.68
111 THR QG2 120 LEU QD1 4.44
111 THR QG2 120 LEU QD2 4.44
112 PHE H 112 PHE QB 4.02
112 PHE H 114 ALA H 4.01
112 PHE QB 113 GLN H 4.43
113 GLN HA 116 GLN H 5.34
113 GLN H 113 GLN HE21 5.50
113 GLN H 113 GLN HE22 5.50
113 GLN H 113 GLN QB 3.87
113 GLN H 113 GLN QG 6.38
113 GLN QB 114 ALA H 4.36
114 ALA HA 115 HIS H 3.45
114 ALA HA 120 LEU QB 4.02
114 ALA H 114 ALA QB 3.91
114 ALA H 115 HIS H 3.14
114 ALA QB 115 HIS H 4.81
114 ALA QB 119 LEU HA 3.91
114 ALA QB 119 LEU QB 4.30
114 ALA QB 119 LEU QQD 4.41
114 ALA QB 120 LEU HA 3.42
114 ALA QB 120 LEU HB2 3.73
114 ALA QB 120 LEU HB3 3.73
114 ALA QB 120 LEU HG 5.59
114 ALA QB 120 LEU QB 3.16
115 HIS HA 120 LEU HG 4.91
115 HIS HA 120 LEU QQD 4.26
115 HIS H 115 HIS HB2 3.08
115 HIS H 115 HIS HB3 3.08
115 HIS H 116 GLN H 2.99
115 HIS H 116 GLN QB 5.05
115 HIS QB 116 GLN H 3.23
115 HIS QB 120 LEU QB 3.73
115 HIS QB 120 LEU QQD 4.18
116 GLN H 116 GLN QB 3.50
116 GLN H 116 GLN QG 2.39
116 GLN H 118 GLY H 4.17
116 GLN QB 117 ASN H 4.33
116 GLN QB 118 GLY H 5.29
117 ASN H 117 ASN HB2 3.73
117 ASN H 117 ASN HB3 3.73
117 ASN H 117 ASN QB 3.22
117 ASN H 118 GLY H 2.68
117 ASN H 118 GLY QA 5.19
117 ASN QB 118 GLY H 3.85
117 ASN QB 119 LEU H 4.11
118 GLY H 118 GLY QA 2.30
118 GLY H 119 LEU HA 5.50
118 GLY H 119 LEU H 3.05
118 GLY H 120 LEU H 3.92
118 GLY QA 119 LEU H 3.01
118 GLY QA 120 LEU H 3.94
118 GLY QA 121 GLN H 5.34
118 GLY QA 121 GLN QB 3.24
119 LEU HG 120 LEU H 5.50
119 LEU H 119 LEU HG 5.50
119 LEU H 119 LEU QB 3.65
119 LEU H 119 LEU QQD 4.74
119 LEU H 120 LEU H 3.14
120 LEU HB2 121 GLN H 3.64
120 LEU HB3 121 GLN H 3.64
120 LEU HG 124 LEU HG 3.73
120 LEU HG 124 LEU QQD 3.41
120 LEU H 120 LEU HA 2.86
120 LEU H 120 LEU HB2 2.93
120 LEU H 120 LEU HB3 2.93
120 LEU H 121 GLN H 3.39
120 LEU H 122 LYS+ QG 5.34
120 LEU QB 121 GLN H 3.03
120 LEU QQD 124 LEU QQD 4.38
121 GLN HA 123 LEU H 5.50
121 GLN HA 124 LEU QQD 3.41
121 GLN H 121 GLN QG 2.39
121 GLN H 122 LYS+ HN 3.02
121 GLN H 122 LYS+ QG 5.34
121 GLN H 123 LEU H 3.70
121 GLN QB 122 LYS+ HN 3.28
121 GLN QG 122 LYS+ HN 2.39
122 LYS+ HN 122 LYS+ QG 2.39
122 LYS+ HN 123 LEU H 3.11
122 LYS+ QG 123 LEU H 5.34
123 LEU H 123 LEU QB 3.18
123 LEU H 123 LEU QQD 4.86
123 LEU H 124 LEU HG 5.50
123 LEU QB 124 LEU H 2.39
123 LEU QD1 124 LEU H 6.52
123 LEU QD2 124 LEU H 6.52
124 LEU HG 125 GLN H 2.40
124 LEU H 124 LEU HA 2.90
124 LEU H 124 LEU QB 2.47
124 LEU H 124 LEU QQD 3.41
124 LEU H 125 GLN H 2.40
124 LEU H 125 GLN QG 6.17
124 LEU QB 125 GLN H 3.84
124 LEU QQD 125 GLN H 4.89
125 GLN HA 126 ASP- HN 2.68
125 GLN H 125 GLN QB 3.40
125 GLN H 125 GLN QG 6.38
125 GLN H 126 ASP- HN 5.50
125 GLN QB 126 ASP- HN 4.12
125 GLN QB 127 ASP- HN 5.64
125 GLN QG 126 ASP- HN 6.38
126 ASP- HN 126 ASP- QB 2.93
126 ASP- HN 127 ASP- HN 2.40
126 ASP- QB 127 ASP- HN 2.39
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Received on Thu Jan 26 2012 - 09:00:02 PST
