alpha helix a nh alpha helix a n - bmrb · alpha helix d nh 0 20 40 60 80 7 7.2 7.4 7.6 7.8 8 8.2...
Post on 03-Oct-2020
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Alpha Helix A NH
0
50
100
1506.
2
6.6 7
7.4
7.8
8.2
8.6 9
9.4
9.8
10.2
10.6 11
NH (ppm)mean: 8.10 +/- 0.55
Alpha Helix A N
0
50
100
150
100
103
106
109
112
115
118
121
124
127
130
133
136
139
N (ppm)mean: 121.78 +/- 2.44
Alpha Helix A Ca
050
100150200
48 49 50 51 52 53 54 55 56 57 58 59 60
Ca (ppm)mean: 54.77 +/- 1.18
Alpha Helix A Ha
0100200300400
2
2.4
2.8
3.2
3.6 4
4.4
4.8
5.2
5.6 6
Ha (ppm)mean: 4.05 +/- 0.27
Alpha Helix A Cb
0
20
40
60
80
15
15.6
16.2
16.8
17.4 18
18.6
19.2
19.8
20.4 21
21.6
22.2
22.8
Cb (ppm)mean: 18.11 +/- 1.18
Alpha Helix A CO
0
10
20
3017
3
173.
6
174.
2
174.
8
175.
4
176
176.
6
177.
2
177.
8
178.
4
179
179.
6
180.
2
180.
8
181.
4
182
182.
6
Mor
e
CO (ppm)mean: 179.28 +/- 1.78
Alpha Helix B NH
02468
106.
5
6.7
6.9
7.1
7.3
7.5
7.7
7.9
8.1
8.3
8.5
8.7
8.9
9.1
9.3
9.5
NH (ppm)mean: 7.97 +/- 0.67
Alpha Helix B N
012345
112
113
114
114
115
116
117
118
119
120
121
122
123
123
N (ppm)mean: 118.29 +/- 3.76
Alpha Helix B Ca
02468
10
56
56.6
57.2
57.8
58.4 59
59.6
60.2
60.8
61.4 62
62.6
63.2
63.8
64.4 67
67.6
Mor
e
Ca (ppm)mean: 62.89 +/- 1.91
Alpha Helix B Ha
0
5
10
15
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
5.6
5.8 6
Ha (ppm)mean: 4.28 +/- 0.7
Alpha Helix B Cb
02468
10
25
25.4
25.8
26.2
26.6 27
27.4
27.8
28.2
28.6 29
29.4
29.8
Cb (ppm)mean: 27.36 +/- 1.75
Alpha Helix B CO
01234
174
174.
3
174.
6
174.
9
175.
2
175.
5
175.
8
176.
1
176.
4
176.
7
177
177.
3
177.
6
178
178.
3
178.
6
178.
9
CO (ppm)mean: 176.47 +/- 1.21
Alpha Helix C NH
0
5
10
157
7.2
7.4
7.6
7.8 8
8.2
8.4
8.6
8.8 9
9.2
9.4
NH (ppm)mean: 8.27 +/- 0.56
Alpha Helix C N
0
5
10
15
20
112
113
114
115
116
117
118
119
120
121
122
123
124
125
N (ppm)mean: 118.29 +/- 3.76
Alpha Helix C Ca
0
2
4
6
8
53
53.6
54.2
54.8
55.4 56
56.6
57.2
57.8
58.4 59
59.6
60.2
60.8
61.4 62
Ca (ppm)mean: 58.38 +/- 2.15
Alpha Helix C Ha
05
101520
3.5
3.7
3.9
4.1
4.3
4.5
4.7
4.9
5.1
5.3
5.5
5.7
5.9
Ha (ppm)mean: 4.44 +/- 0.51
Alpha Helix C Cb
0123456
33
33.8
34.6
35.4
36.2 37
37.8
38.6
39.4
40.2 41
41.8
42.6
43.4
44.2 45
Cb (ppm)mean: 39.94 +/- 4.48
Alpha Helix C CO
0
1
2
3
417
2.5
172.
9
173.
3
173.
7
174.
1
174.
5
174.
9
175.
3
175.
7
176.
1
176.
5
176.
9
177.
3
177.
7
178.
2
178.
6
179
CO (ppm)mean: 176.75 +/- 1.83
Alpha Helix D NH
0
20
40
60
807
7.2
7.4
7.6
7.8 8
8.2
8.4
8.6
8.8 9
9.2
9.4
9.6
9.8 10
NH (ppm)mean: 8.25 +/- 0.6
Alpha Helix D N
0
10
20
30
40
110
112
113
115
116
118
119
121
122
124
125
127
128
130
N (ppm)mean: 119.78 +/- 3.15
Alpha Helix D Ca
020406080
100
50 51 52 53 54 55 56 57 58 59 60Ca (ppm)
mean: 56.93 +/- 1.29
Alpha Helix D Ha
020406080
100
3.5
3.7
3.9
4.1
4.3
4.5
4.7
4.9
5.1
5.3
5.5
5.7
5.9
Ha (ppm)mean: 4.41 +/- 0.23
Alpha Helix D Cb
0
20
40
60
80
35 36 37 38 39 40 41 42 43 44 45 46
Cb (ppm)mean: 40.31 +/- 1.54
Alpha Helix D CO
0
10
20
30
4016
5
166
168
169
171
172
174
175
177
178
180
181
183
184
CO (ppm)mean: 178.08 +/- 1.52
Alpha Helix E NH
0
50
100
1506.
6 7
7.4
7.8
8.2
8.6 9
9.4
9.8
10.2
10.6
NH (ppm)mean: 8.31 +/- 1.97
Alpha Helix E N
0
20
40
60
80
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)mean: 119.55 +/- 2.86
Alpha Helix E Ca
0
50
100
150
53
53.6
54.2
54.8
55.4 56
56.6
57.2
57.8
58.4 59
59.6
60.2
60.8
61.4 62
Ca (ppm)mean: 59.04 +/- 1.3
Alpha Helix E Ha
050
100150200250
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
Ha (ppm)mean: 3.99 +/- 0.25
Alpha Helix E Cb
0
50
100
150
25
25.6
26.2
26.8
27.4 28
28.6
29.2
29.8
30.4 31
31.6
32.2
32.8
33.4 34
34.6
35.2
Cb (ppm)mean: 29.16 +/- 1.13
Alpha Helix E CO
0
20
40
60
8017
0
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
CO (ppm)mean: 178.5 +/- 1.39
Alpha Helix F NH
0
10
20
306.
5
6.8
7.1
7.4
7.7 8
8.3
8.6
8.9
9.2
9.5
9.8
NH (ppm)mean: 8.2 +/- 0.64
Alpha Helix F N
05
10152025
110
111.
113
114.
116
117.
119
120.
122
123.
125
126.
128
129.
N (ppm)mean: 119.73 +/- 3.25
Alpha Helix F Ca
0
10
20
30
53
53.9
54.8
55.7
56.6
57.5
58.4
59.3
60.2
61.1 62
62.9
63.8
64.7
Ca (ppm)mean: 60.62 +/- 1.95
Alpha Helix F Ha
0
10
20
30
40
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
5.6
5.8
Ha (ppm)mean: 4.13 +/- 0.44
Alpha Helix F Cb
0
10
20
30
35
35.6
36.2
36.8
37.4 38
38.6
39.2
39.8
40.4 41
41.6
Cb (ppm)mean: 38.97 +/- 2.06
Alpha Helix F CO
05
10152025
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
CO (ppm)mean: 176.86 +/- 1.56
Alpha Helix G NH
0
10
20
30
7 7.2 7.4 7.6 7.8 8 8.2 8.4 8.6 8.7 8.9 9.1 9.3 9.5 9.8 10
NH (ppm)mean: 8.25 +/- 0.65
Alpha Helix G N
0
5
10
15
20
100
101
103
104
106
107
109
110
112
113
115
116
118
N (ppm)mean: 107.77 +/- 3.07
Alpha Helix G Ca
0
10
20
30
40
42
42.6
43.2
43.8
44.4 45
45.6
46.2
46.8
47.4 48
48.6
49.2
49.8
50.4 51
Ca (ppm)mean: 46.61 +/- 1.26
Alpha Helix G Ha
0
20
40
60
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
Ha (ppm)mean: 3.86 +/- 0.41
Alpha Helix G CO
05
10152025
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
CO (ppm)mean: 174.81 +/- 11.59
Alpha Helix H NH
05
10152025
6.5
6.8
7.1
7.4
7.7 8
8.3
8.6
8.9
9.2
9.5
9.8
NH (ppm)mean: 8.00 +/- 0.54
Alpha Helix H N
05
101520
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
N (ppm)mean: 118.27 +/- 3.04
Alpha Helix H Ca
0
5
10
15
55
55.6
56.2
56.8
57.4 58
58.6
59.2
59.8
60.4 61
61.6
62.4 63
Ca (ppm)mean: 58.77 +/- 1.65
Alpha Helix H Ha
0
10
20
30
3 3.2 3.4 3.6 3.8 4 4.2 4.4 4.6 4.8 5 5.2 5.4 5.6 5.8 6
Ha (ppm)mean: 4.31 +/- 0.41
Alpha Helix H Cb
0
5
10
15
25
25.6
26.2
26.8
27.4 28
28.6
29.2
29.8
30.4 31
31.6
32.2
32.8
33.4 34
34.6
35.2
Cb (ppm)mean: 29.39 +/- 1.79
Alpha Helix H CO
0
5
10
15
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
CO (ppm)mean: 176.92 +/- 1.42
Alpha Helix I NH
0
20
40
60
6.5 6.7 6.9 7.1 7.3 7.5 7.7 7.9 8.1 8.3 8.5 8.7 8.9 9.1 9.3 9.5
NH (ppm)mean: 8.09 +/- 0.51
Alpha Helix I N
0
20
40
60
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)mean: 119.95 +/- 3.11
Alpha Helix I Ca
010203040
55
55.9
56.8
57.7
58.6
59.5
60.4
61.3
62.2
63.1 64
64.9
65.8
66.7
67.6
68.5
69.4
Mor
e
Ca (ppm)mean: 64.35 +/- 2.06
Alpha Helix I Ha
020406080
100
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
Ha (ppm)mean: 3.69 +/- 0.32
Alpha Helix I Cb
020406080
3333
.634
.234
.835
.4 3636
.637
.237
.838
.4 3939
.640
.240
.841
.4 42
Cb (ppm)mean: 37.51 +/- 1.33
Alpha Helix I CO
010203040
170
170.9
171.8
172.7
173.6
174.5
175.4
176.3
177.2
178.1 17
917
9.918
1.618
2.518
3.4
CO (ppm)mean: 177.33 +/- 1.51
Alpha Helix K NH
0
20
40
60
80
6.5 6.7 6.9 7.1 7.3 7.5 7.7 7.9 8.1 8.3 8.5 8.7 8.9 9.1 9.3 9.5NH (ppm)
mean: 7.99 +/- 0.53
Alpha Helix K N
0
20
40
60
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)119.45 +/- 2.79
Alpha Helix K Ca
0
20
40
60
80
53
53.9
54.7
55.6
56.5
57.4
58.3
59.2
60.1 61
61.9
62.8
63.7
Ca (ppm)mean: 58.84 +/- 1.53
Alpha Helix K Ha
0
50
100
150
200
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
Ha (ppm)mean: 4.0 +/- 0.41
Alpha Helix K Cb
020406080
100
2828
.629
.229
.830
.4 3131
.632
.232
.833
.4 3434
.635
.235
.836
.4 37
Cb (ppm)mean: 32.11 +/- 1.19
Alpha Helix K CO
0
10
20
30
170
170.9
171.8
172.7
173.6
174.5
175.4
176.3
177.2
178.1 17
917
9.918
0.818
1.718
2.6
CO (ppm)mean: 178.14 +/- 1.88
Alpha Helix L NH
020406080
1006.
5
6.7
6.9
7.1
7.3
7.5
7.7
7.9
8.1
8.2
8.4
8.6
8.8 9
9.3
9.5
NH (ppm)mean: 8.1 +/- 0.55
Alpha Helix L N
0
20
40
60
80
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)mean: 120.09 +/- 2.86
Alpha Helix L Ca
0
50
100
150
53
53.6
54.1
54.7
55.3
55.9
56.5
57.1
57.7
58.3
58.9
59.5
60.1
60.7
Ca (ppm)mean: 57.37 +/- 1.31
Alpha Helix L Ha
0
50
100
150
200
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Ha (ppm)mean: 4.0 +/- 0.31
Alpha Helix L Cb
020406080
100
38
38.6
39.2
39.8
40.4 41
41.6
42.2
42.8
43.4 44
44.6
45.2
Cb (ppm)mean: 41.51 +/- 1.22
Alpha Helix L CO
0
20
40
6017
3
173.
6
174.
2
174.
8
175.
4
176
176.
6
177.
2
177.
8
178.
4
179
179.
6
180.
2
180.
8
181.
4
182
CO (ppm)mean: 178.25 +/- 1.58
HH M NH
0
10
20
30
40
6.5 6.7 6.9 7.1 7.3 7.5 7.7 7.9 8.1 8.3 8.5 8.7 8.9 9.1 9.3 9.5
NH (ppm)
HH M N
0
5
10
15
20
25
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)
HH M Ca
05
10
152025
53
53.6
54.1
54.7
55.3
55.9
56.5
57.1
57.7
58.3
58.9
59.5
60.1
60.7
Ca (ppm)
HH M Ha
01020304050
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Mor
e
Ha (ppm)
HH M Cb
0
5
10
15
20
2828
.629
.229
.830
.4 3131
.632
.232
.833
.4 3434
.635
.235
.836
.4 37
Cb (ppm)
HH M CO
0
5
10
1517
3
174
174
175
175
176
177
177
178
178
179
180
180
CO (ppm)
HH N NH
0
10
20
30
406.
5
6.7
6.9
7.1
7.3
7.5
7.7
7.9
8.1
8.3
8.5
8.7
8.9
9.1
9.3
9.5
NH (ppm)
HH N N
0
10
20
30
40
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
N (ppm)
HH N Ca
0
10
20
30
40
51
51.6
52.2
52.8
53.4 54
54.6
55.2
55.8
56.4 57
57.6
58.2
Ca (ppm)
HH N Ha
0102030405060
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Ha (ppm)
HH N Cb
0
10
20
30
40
32
32.9
33.8
34.7
35.6
36.5
37.4
38.3
39.2
40.1 41
41.9
42.8
43.7
Cb (ppm)
HH N CO
02468
1012
173
174
174
175
175
176
177
177
178
178
179
180
180
CO (ppm)
HH P Ca
0
5
10
1561
.4 62
62.6
63.2
63.8
64.4 65
65.6
66.2
66.8
67.4 68
Ca (ppm)
HH P Ha
05
1015202530
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Ha (ppm)
HH P Cb
02468
1012
28
28.6
29.2
29.8
30.4 31
31.6
32.2
32.8
33.4 34
Cb (ppm)
HH P CO
0
2
4
6
8
10
175
175
176
176
177
178
178
179
179
180
181
181
182
CO (ppm)
HH Q NH
0
10
20
30
407
7.2
7.4
7.6
7.8 8
8.2
8.4
8.6
8.8 9
9.2
9.4
NH (ppm)
HH Q N
0
10
20
30
40
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)
HH Q Ca
0102030405060
54.4 55
55.6
56.2
56.8
57.4 58
58.6
59.2
59.8
60.4 61
Ca (ppm)
HH Q Ha
0
20
40
60
80
100
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
Ha (ppm)
HH Q Cb
050
100150200250
26
26.3
26.6
26.9
27.1
27.4
27.7 30
30.3
30.6
30.9
31.2
31.5
31.8
32.1
32.4
32.7
Mor
e
Cb (ppm)
HH Q CO
05
10152025
173
173.
6
174.
2
174.
8
175.
4
176
176.
6
177.
2
177.
8
178.
4
179
179.
6
180.
2
Mor
e
CO (ppm)
Alpha Helix R NH
01020304050
6.5
6.7
6.9
7.1
7.3
7.5
7.7
7.9
8.1
8.3
8.5
8.7
8.9
9.1
9.3
9.5
N (ppm)mean: 8.1 +/- 0.52
Alpha Helix R N
0
10
20
30
40
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)mean: 119.09 +/- 2.75
Alpha Helix R Ca
01020304050
52.6
53.5
54.4
55.3
56.2
57.1 58
58.9
59.8
60.7
61.7
62.6
63.5
Ca (ppm)mean: 59.16 +/- 1.47
Alpha Helix R Ha
020406080
100
3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Ha (ppm)mean: 3.93 +/- 0.33
Alpha Helix R Cb
0
20
40
60
80
26
26.6
27.2
27.8
28.4 29
29.6
30.2
30.8
31.4 32
32.6
33.2
Cb (ppm)mean: 29.93 +/- 1.2
Alpha Helix R CO
05
101520
172.
1
172.
7
173.
3
173.
9
174.
5
175.
1
175.
7
176.
3
176.
9
177.
5
178.
1
178.
7
179.
3
179.
9
180.
5
181.
1
181.
7
Mor
e
CO (ppm)mean: 178.05 +/- 1.84
HH S NH
0
10
20
30
407
7.2
7.4
7.6
7.8 8
8.2
8.4
8.6
8.8 9
9.2
9.4
NH (ppm)
HH S N
0
5
10
15
20
25
109
111
112
114
115
117
118
120
121
123
124
126
127
N (ppm)
HH S Ca
0
10
20
30
40
5555
.656
.256
.857
.4 5858
.659
.259
.860
.4 6161
.662
.262
.863
.4 64
Ca (ppm)
HH S Ha
0
20
40
60
80
3.5
3.7
3.9
4.1
4.3
4.5
4.7
4.9
5.1
5.3
5.5
Ha (ppm)
HH S Cb
01020304050
5858
.659
.259
.860
.4 6161
.662
.262
.863
.4 6464
.665
.265
.866
.4 67
Cb (ppm)
HH S CO
0
5
10
1517
2
173
173
174
175
175
176
176
177
178
178
179
179
180
CO (ppm)
Alpha Helix T NH
01020304050
6.5
6.7
6.9
7.1
7.3
7.5
7.7
7.9
8.1
8.3
8.5
8.7
8.9
9.1
9.3
9.5
NH (ppm)mean: 8.05 +/- 0.48
Alpha Helix T N
0
10
20
30
103
105
106
108
109
111
112
114
115
117
118
120
121
123
124
N (ppm)mean: 115.61 +/- 4.36
HH T Ha
0
20
40
60
80
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Ha (ppm)mean: 4.02 +/- 0.3
HH T Cb
0
20
40
60
65
65.6
66.2
66.8
67.4 68
68.6
69.2
69.8
70.4 71
71.6
72.2
Cb (ppm)mean: 68.48 +/- 1.29
HH T CO
05
101520
173
173.
6
174.
2
174.
8
175.
4
176
176.
6
177.
2
177.
8
178.
4
179
179.
6
CO (ppm)mean: 176.24 +/- 1.34
Alpha Helix T Ca
0
10
20
30
58.6
59.5
60.4
61.3
62.2
63.1 64
64.9
65.8
66.7
67.6
68.5
69.4
Ca (ppm)mean: 65.63 +/- 2.29
HH V NH
0102030405060
6.5 6.7 6.9 7.1 7.3 7.5 7.7 7.9 8.1 8.3 8.5 8.7 8.9 9.1 9.3 9.5
NH (ppm)
HH V N
0102030405060
109
110
112
113
115
116
118
119
121
122
124
125
127
128
130
N (ppm)
HH V Ca
0102030405060
60.4 61
61.6
62.2
62.8
63.4 64
64.6
65.2
65.8
66.4 67
67.6
68.2
68.8
69.4 70
Ca (ppm)
HH V Ha
0
20
40
60
80
100
2.9
3.1
3.3
3.5
3.7
3.9
4.1
4.3
4.5
4.7
4.9
Ha (ppm)
HH V Cb
020406080
100
28.2
28.8
29.4 30
30.6
31.2
31.8
32.4 33
33.6
34.1
34.7
Mor
e
Cb (ppm)
HH V CO
05
1015202530
173
174
174
175
175
176
177
177
178
178
179
180
180
CO (ppm)
HH W NH
0
5
10
15
6.5 6.7 6.9 7.1 7.3 7.5 7.7 7.9 8.1 8.3 8.5 8.7 8.9 9.1 9.3 9.5
NH (ppm)
HH W N
02468
1012
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)
HH W Ca
02468
10
5555
.656
.256
.857
.4 5858
.659
.259
.860
.4 6161
.662
.262
.863
.4 64
Ca (ppm)
HH W Ha
0
5
10
15
3 3.2 3.4 3.6 3.8 4 4.2 4.4 4.6 4.8 5 5.2 5.4 5.6 5.8 6
Ha (ppm)
HH W cb
024
68
10
25.8
26.4 27
27.6
28.2
28.8
29.4 30
30.6
31.2
31.8
32.4 33
Cb (ppm)
HH W CO
0123456
173
173.6
174.2
174.8
175.4 17
617
6.617
7.217
7.817
8.4 179
179.6
180.2
180.8
181.4 18
2
CO (ppm)
HH Y NH
0
10
20
30
407
7.2
7.4
7.6
7.8 8
8.2
8.4
8.6
8.8 9
9.2
9.4
NH (ppm)
HH Y N
05
1015202530
110
111
113
114
116
117
119
120
122
123
125
126
128
129
N (ppm)
HH Y Ha
0102030405060
2.8 3
3.2
3.4
3.6
3.8 4
4.2
4.4
4.6
4.8 5
5.2
5.4
Ha (ppm)
HH Y Ca
0
10
20
30
40
56.2
56.8
57.4 58
58.6
59.2
59.8
60.4 61
61.6
62.2
62.8
63.4 64
Ca (ppm)
HH Y Cb
01020304050
3333
.634
.234
.835
.4 3636
.637
.237
.838
.4 3939
.640
.240
.841
.4 42
Cb (ppm)
HH Y CO
02468
1012
173
173.
6
174.
2
174.
8
175.
4
176
176.
6
177.
2
177.
8
178.
4
179
179.
6
Mor
e
CO (ppm)
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