data_18091
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18091
_Entry.PDB_ID 2LLW
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 18091
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.476 -0.246 18091
2 1 1 . 1 1 2 2 PRO CA C 520 63.250 63.250 64.496 -1.246 18091
3 1 1 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.460 -0.500 18091
4 1 1 . 1 1 3 3 GLY N N 521 109.400 109.400 108.443 0.957 18091
5 1 1 . 1 1 3 3 GLY C C 521 174.300 174.300 175.197 -0.897 18091
6 1 1 . 1 1 3 3 GLY CA C 521 45.180 45.180 46.955 -1.775 18091
7 1 1 . 1 1 3 3 GLY H H 521 8.490 8.490 9.449 -0.959 18091
8 1 1 . 1 1 4 4 THR N N 522 112.480 112.480 113.138 -0.658 18091
9 1 1 . 1 1 4 4 THR HA H 522 4.300 4.300 4.450 -0.150 18091
10 1 1 . 1 1 4 4 THR C C 522 174.690 174.690 174.844 -0.154 18091
11 1 1 . 1 1 4 4 THR CA C 522 61.240 61.240 60.417 0.823 18091
12 1 1 . 1 1 4 4 THR CB C 522 69.960 69.960 68.650 1.310 18091
13 1 1 . 1 1 4 4 THR H H 522 7.860 7.860 7.738 0.122 18091
14 1 1 . 1 1 5 5 SER N N 523 117.450 117.450 117.638 -0.188 18091
15 1 1 . 1 1 5 5 SER HA H 523 3.890 3.890 4.229 -0.339 18091
16 1 1 . 1 1 5 5 SER C C 523 173.320 173.320 174.451 -1.131 18091
17 1 1 . 1 1 5 5 SER CA C 523 58.460 58.460 59.946 -1.486 18091
18 1 1 . 1 1 5 5 SER CB C 523 63.690 63.690 63.793 -0.103 18091
19 1 1 . 1 1 5 5 SER H H 523 8.300 8.300 7.552 0.748 18091
20 1 1 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.653 -0.303 18091
21 1 1 . 1 1 6 6 ASN C C 524 174.670 174.670 174.778 -0.108 18091
22 1 1 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.996 -0.936 18091
23 1 1 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.676 0.034 18091
24 1 1 . 1 1 7 7 GLU N N 525 120.970 120.970 119.270 1.700 18091
25 1 1 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.531 -0.191 18091
26 1 1 . 1 1 7 7 GLU C C 525 176.900 176.900 176.268 0.632 18091
27 1 1 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.595 -0.555 18091
28 1 1 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.573 1.497 18091
29 1 1 . 1 1 7 7 GLU H H 525 7.970 7.970 8.625 -0.655 18091
30 1 1 . 1 1 8 8 THR N N 526 116.960 116.960 112.082 4.878 18091
31 1 1 . 1 1 8 8 THR HA H 526 4.540 4.540 4.707 -0.167 18091
32 1 1 . 1 1 8 8 THR C C 526 173.410 173.410 173.877 -0.467 18091
33 1 1 . 1 1 8 8 THR CA C 526 60.080 60.080 58.779 1.302 18091
34 1 1 . 1 1 8 8 THR CB C 526 68.500 68.500 68.913 -0.413 18091
35 1 1 . 1 1 8 8 THR H H 526 8.630 8.630 7.606 1.024 18091
36 1 1 . 1 1 9 9 PRO HA H 527 4.190 4.190 3.930 0.260 18091
37 1 1 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.409 0.701 18091
38 1 1 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.588 -0.008 18091
39 1 1 . 1 1 10 10 GLU N N 528 118.610 118.610 117.671 0.939 18091
40 1 1 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.995 -0.015 18091
41 1 1 . 1 1 10 10 GLU C C 528 178.550 178.550 178.056 0.494 18091
42 1 1 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.389 0.191 18091
43 1 1 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.248 -0.259 18091
44 1 1 . 1 1 10 10 GLU H H 528 8.550 8.550 8.473 0.077 18091
45 1 1 . 1 1 11 11 GLU N N 529 121.090 121.090 119.008 2.082 18091
46 1 1 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.034 -0.104 18091
47 1 1 . 1 1 11 11 GLU C C 529 179.470 179.470 178.725 0.745 18091
48 1 1 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.310 -0.360 18091
49 1 1 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.570 -0.090 18091
50 1 1 . 1 1 11 11 GLU H H 529 7.870 7.870 7.956 -0.086 18091
51 1 1 . 1 1 12 12 THR N N 530 118.050 118.050 116.843 1.207 18091
52 1 1 . 1 1 12 12 THR HA H 530 3.750 3.750 3.915 -0.165 18091
53 1 1 . 1 1 12 12 THR C C 530 175.770 175.770 176.577 -0.807 18091
54 1 1 . 1 1 12 12 THR CA C 530 66.320 66.320 67.048 -0.728 18091
55 1 1 . 1 1 12 12 THR CB C 530 68.430 68.430 68.648 -0.218 18091
56 1 1 . 1 1 12 12 THR H H 530 8.390 8.390 7.182 1.208 18091
57 1 1 . 1 1 13 13 TYR N N 531 122.280 122.280 120.163 2.117 18091
58 1 1 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.114 -0.294 18091
59 1 1 . 1 1 13 13 TYR C C 531 176.420 176.420 178.349 -1.929 18091
60 1 1 . 1 1 13 13 TYR CA C 531 61.440 61.440 59.697 1.743 18091
61 1 1 . 1 1 13 13 TYR CB C 531 38.110 38.110 36.746 1.364 18091
62 1 1 . 1 1 13 13 TYR H H 531 8.050 8.050 7.472 0.578 18091
63 1 1 . 1 1 14 14 GLN N N 532 116.250 116.250 118.153 -1.903 18091
64 1 1 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.926 -0.236 18091
65 1 1 . 1 1 14 14 GLN C C 532 178.800 178.800 178.399 0.401 18091
66 1 1 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.922 -0.302 18091
67 1 1 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.426 -0.366 18091
68 1 1 . 1 1 14 14 GLN H H 532 8.010 8.010 7.810 0.200 18091
69 1 1 . 1 1 15 15 ARG N N 533 118.730 118.730 119.743 -1.013 18091
70 1 1 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.023 -0.103 18091
71 1 1 . 1 1 15 15 ARG C C 533 179.030 179.030 178.992 0.038 18091
72 1 1 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.098 0.042 18091
73 1 1 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.213 -0.413 18091
74 1 1 . 1 1 15 15 ARG H H 533 7.800 7.800 7.746 0.054 18091
75 1 1 . 1 1 16 16 ALA N N 534 123.500 123.500 121.864 1.636 18091
76 1 1 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.047 -0.087 18091
77 1 1 . 1 1 16 16 ALA C C 534 178.860 178.860 179.760 -0.900 18091
78 1 1 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.897 -0.227 18091
79 1 1 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.518 0.212 18091
80 1 1 . 1 1 16 16 ALA H H 534 8.210 8.210 8.088 0.122 18091
81 1 1 . 1 1 17 17 MET N N 535 111.910 111.910 115.061 -3.151 18091
82 1 1 . 1 1 17 17 MET HA H 535 4.020 4.020 4.239 -0.219 18091
83 1 1 . 1 1 17 17 MET C C 535 176.890 176.890 177.485 -0.595 18091
84 1 1 . 1 1 17 17 MET CA C 535 55.200 55.200 57.342 -2.142 18091
85 1 1 . 1 1 17 17 MET CB C 535 31.110 31.110 31.809 -0.699 18091
86 1 1 . 1 1 17 17 MET H H 535 7.480 7.480 8.031 -0.551 18091
87 1 1 . 1 1 18 18 LYS N N 536 116.840 116.840 116.540 0.300 18091
88 1 1 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.219 -0.229 18091
89 1 1 . 1 1 18 18 LYS C C 536 176.690 176.690 176.650 0.040 18091
90 1 1 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.905 -0.315 18091
91 1 1 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.613 -0.273 18091
92 1 1 . 1 1 18 18 LYS H H 536 7.180 7.180 7.353 -0.173 18091
93 1 1 . 1 1 19 19 ASP N N 537 122.680 122.680 121.151 1.529 18091
94 1 1 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.888 -0.088 18091
95 1 1 . 1 1 19 19 ASP C C 537 174.720 174.720 175.353 -0.633 18091
96 1 1 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.132 -0.042 18091
97 1 1 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.475 0.495 18091
98 1 1 . 1 1 19 19 ASP H H 537 7.530 7.530 7.603 -0.073 18091
99 1 1 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.243 -0.103 18091
100 1 1 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.855 -0.105 18091
101 1 1 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.163 -0.043 18091
102 1 1 . 1 1 21 21 GLU N N 539 118.590 118.590 117.966 0.624 18091
103 1 1 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.083 -0.073 18091
104 1 1 . 1 1 21 21 GLU C C 539 179.010 179.010 179.088 -0.078 18091
105 1 1 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.199 -0.349 18091
106 1 1 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.326 0.014 18091
107 1 1 . 1 1 21 21 GLU H H 539 8.200 8.200 8.490 -0.290 18091
108 1 1 . 1 1 22 22 VAL N N 540 120.690 120.690 120.690 0.000 18091
109 1 1 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.568 -0.338 18091
110 1 1 . 1 1 22 22 VAL C C 540 177.740 177.740 177.651 0.089 18091
111 1 1 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.326 -0.236 18091
112 1 1 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.591 -0.241 18091
113 1 1 . 1 1 22 22 VAL H H 540 7.350 7.350 7.387 -0.037 18091
114 1 1 . 1 1 23 23 ALA N N 541 121.460 121.460 122.081 -0.621 18091
115 1 1 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.908 -0.138 18091
116 1 1 . 1 1 23 23 ALA C C 541 179.660 179.660 179.093 0.567 18091
117 1 1 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.246 0.144 18091
118 1 1 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.023 -0.313 18091
119 1 1 . 1 1 23 23 ALA H H 541 8.430 8.430 7.678 0.752 18091
120 1 1 . 1 1 24 24 ALA N N 542 117.000 117.000 120.970 -3.970 18091
121 1 1 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.020 -0.080 18091
122 1 1 . 1 1 24 24 ALA C C 542 180.880 180.880 179.506 1.374 18091
123 1 1 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.659 0.041 18091
124 1 1 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.563 -0.613 18091
125 1 1 . 1 1 24 24 ALA H H 542 7.380 7.380 7.648 -0.268 18091
126 1 1 . 1 1 25 25 ILE N N 543 119.750 119.750 117.909 1.841 18091
127 1 1 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.716 -0.026 18091
128 1 1 . 1 1 25 25 ILE C C 543 177.450 177.450 178.614 -1.164 18091
129 1 1 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.818 0.142 18091
130 1 1 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.181 0.099 18091
131 1 1 . 1 1 25 25 ILE H H 543 7.380 7.380 7.618 -0.238 18091
132 1 1 . 1 1 26 26 MET N N 544 113.830 113.830 117.485 -3.655 18091
133 1 1 . 1 1 26 26 MET HA H 544 4.140 4.140 4.065 0.075 18091
134 1 1 . 1 1 26 26 MET C C 544 177.680 177.680 177.740 -0.060 18091
135 1 1 . 1 1 26 26 MET CA C 544 55.660 55.660 58.662 -3.002 18091
136 1 1 . 1 1 26 26 MET CB C 544 30.690 30.690 32.431 -1.741 18091
137 1 1 . 1 1 26 26 MET H H 544 7.870 7.870 8.142 -0.272 18091
138 1 1 . 1 1 27 27 GLN N N 545 115.210 115.210 115.458 -0.248 18091
139 1 1 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.249 -0.169 18091
140 1 1 . 1 1 27 27 GLN C C 545 175.170 175.170 175.809 -0.639 18091
141 1 1 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.999 -0.559 18091
142 1 1 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.103 -0.113 18091
143 1 1 . 1 1 27 27 GLN H H 545 7.340 7.340 7.432 -0.092 18091
144 1 1 . 1 1 28 28 ASP N N 546 123.270 123.270 120.447 2.823 18091
145 1 1 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.930 -0.210 18091
146 1 1 . 1 1 28 28 ASP C C 546 175.220 175.220 175.586 -0.366 18091
147 1 1 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.595 0.745 18091
148 1 1 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.019 0.361 18091
149 1 1 . 1 1 28 28 ASP H H 546 7.320 7.320 7.849 -0.529 18091
150 1 1 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.330 -0.210 18091
151 1 1 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.098 0.822 18091
152 1 1 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.099 0.161 18091
153 1 1 . 1 1 30 30 VAL N N 548 119.870 119.870 119.205 0.665 18091
154 1 1 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.658 -0.078 18091
155 1 1 . 1 1 30 30 VAL C C 548 179.010 179.010 177.711 1.299 18091
156 1 1 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.622 -0.622 18091
157 1 1 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.144 -0.034 18091
158 1 1 . 1 1 30 30 VAL H H 548 8.000 8.000 8.426 -0.426 18091
159 1 1 . 1 1 31 31 MET N N 549 118.270 118.270 117.156 1.114 18091
160 1 1 . 1 1 31 31 MET HA H 549 4.340 4.340 3.958 0.382 18091
161 1 1 . 1 1 31 31 MET C C 549 178.830 178.830 178.075 0.755 18091
162 1 1 . 1 1 31 31 MET CA C 549 55.140 55.140 59.462 -4.322 18091
163 1 1 . 1 1 31 31 MET CB C 549 28.840 28.840 32.134 -3.294 18091
164 1 1 . 1 1 31 31 MET H H 549 7.250 7.250 7.409 -0.159 18091
165 1 1 . 1 1 32 32 GLN N N 550 118.190 118.190 119.764 -1.574 18091
166 1 1 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.942 -0.202 18091
167 1 1 . 1 1 32 32 GLN C C 550 178.840 178.840 178.414 0.426 18091
168 1 1 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.255 0.165 18091
169 1 1 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.367 -0.707 18091
170 1 1 . 1 1 32 32 GLN H H 550 8.310 8.310 7.924 0.386 18091
171 1 1 . 1 1 33 33 SER N N 551 114.010 114.010 115.214 -1.204 18091
172 1 1 . 1 1 33 33 SER HA H 551 4.140 4.140 4.203 -0.063 18091
173 1 1 . 1 1 33 33 SER C C 551 176.840 176.840 176.867 -0.027 18091
174 1 1 . 1 1 33 33 SER CA C 551 61.330 61.330 62.157 -0.827 18091
175 1 1 . 1 1 33 33 SER CB C 551 62.450 62.450 62.904 -0.454 18091
176 1 1 . 1 1 33 33 SER H H 551 7.570 7.570 7.641 -0.071 18091
177 1 1 . 1 1 34 34 ILE N N 552 123.490 123.490 122.331 1.159 18091
178 1 1 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.452 -0.172 18091
179 1 1 . 1 1 34 34 ILE C C 552 177.630 177.630 177.658 -0.028 18091
180 1 1 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.315 0.365 18091
181 1 1 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.239 0.481 18091
182 1 1 . 1 1 34 34 ILE H H 552 7.600 7.600 7.384 0.216 18091
183 1 1 . 1 1 35 35 LEU N N 553 119.520 119.520 119.153 0.367 18091
184 1 1 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.777 -0.027 18091
185 1 1 . 1 1 35 35 LEU C C 553 179.440 179.440 179.190 0.250 18091
186 1 1 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.184 -0.234 18091
187 1 1 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.028 -0.327 18091
188 1 1 . 1 1 35 35 LEU H H 553 8.330 8.330 7.756 0.574 18091
189 1 1 . 1 1 36 36 GLN N N 554 118.590 118.590 117.640 0.950 18091
190 1 1 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.912 0.008 18091
191 1 1 . 1 1 36 36 GLN C C 554 178.560 178.560 179.015 -0.455 18091
192 1 1 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.016 -0.356 18091
193 1 1 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.531 -0.471 18091
194 1 1 . 1 1 36 36 GLN H H 554 7.800 7.800 7.812 -0.012 18091
195 1 1 . 1 1 37 37 GLN N N 555 119.520 119.520 118.960 0.560 18091
196 1 1 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.062 -0.132 18091
197 1 1 . 1 1 37 37 GLN C C 555 178.400 178.400 178.561 -0.161 18091
198 1 1 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.699 -0.169 18091
199 1 1 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.733 0.057 18091
200 1 1 . 1 1 37 37 GLN H H 555 7.990 7.990 8.096 -0.106 18091
201 1 1 . 1 1 38 38 ALA N N 556 120.730 120.730 121.270 -0.540 18091
202 1 1 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.362 -0.252 18091
203 1 1 . 1 1 38 38 ALA C C 556 178.310 178.310 179.280 -0.970 18091
204 1 1 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.766 -1.266 18091
205 1 1 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.391 -0.021 18091
206 1 1 . 1 1 38 38 ALA H H 556 8.310 8.310 8.109 0.201 18091
207 1 1 . 1 1 39 39 GLN N N 557 115.600 115.600 117.151 -1.551 18091
208 1 1 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.015 -0.055 18091
209 1 1 . 1 1 39 39 GLN C C 557 177.260 177.260 178.725 -1.465 18091
210 1 1 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.248 -0.328 18091
211 1 1 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.671 -0.191 18091
212 1 1 . 1 1 39 39 GLN H H 557 7.530 7.530 7.697 -0.167 18091
213 1 1 . 1 1 40 40 GLN N N 558 115.310 115.310 116.984 -1.674 18091
214 1 1 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.134 0.046 18091
215 1 1 . 1 1 40 40 GLN C C 558 176.030 176.030 176.408 -0.378 18091
216 1 1 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.677 -1.127 18091
217 1 1 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.802 -0.482 18091
218 1 1 . 1 1 40 40 GLN H H 558 7.350 7.350 7.541 -0.191 18091
219 1 1 . 1 1 41 41 ASN N N 559 114.850 114.850 114.613 0.237 18091
220 1 1 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.046 -0.096 18091
221 1 1 . 1 1 41 41 ASN C C 559 172.420 172.420 173.092 -0.672 18091
222 1 1 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.366 -0.936 18091
223 1 1 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.213 -2.333 18091
224 1 1 . 1 1 41 41 ASN H H 559 7.900 7.900 8.051 -0.151 18091
225 1 1 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.410 -0.080 18091
226 1 1 . 1 1 42 42 PRO CA C 560 65.000 65.000 65.206 -0.206 18091
227 1 1 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.258 -0.578 18091
228 1 1 . 1 1 43 43 ALA N N 561 119.920 119.920 119.452 0.468 18091
229 1 1 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.372 -0.242 18091
230 1 1 . 1 1 43 43 ALA C C 561 179.510 179.510 179.057 0.453 18091
231 1 1 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.230 -0.180 18091
232 1 1 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.079 -0.029 18091
233 1 1 . 1 1 43 43 ALA H H 561 7.850 7.850 7.750 0.100 18091
234 1 1 . 1 1 44 44 ALA N N 562 120.790 120.790 121.887 -1.097 18091
235 1 1 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.093 -0.073 18091
236 1 1 . 1 1 44 44 ALA C C 562 179.570 179.570 179.203 0.367 18091
237 1 1 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.874 -0.754 18091
238 1 1 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.521 -0.321 18091
239 1 1 . 1 1 44 44 ALA H H 562 7.980 7.980 7.541 0.439 18091
240 1 1 . 1 1 45 45 LEU N N 563 116.420 116.420 115.654 0.766 18091
241 1 1 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.542 -0.562 18091
242 1 1 . 1 1 45 45 LEU C C 563 178.220 178.220 178.908 -0.688 18091
243 1 1 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.592 1.048 18091
244 1 1 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.696 0.994 18091
245 1 1 . 1 1 45 45 LEU H H 563 7.510 7.510 7.667 -0.157 18091
246 1 1 . 1 1 46 46 GLN N N 564 115.510 115.510 119.889 -4.379 18091
247 1 1 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.927 -0.067 18091
248 1 1 . 1 1 46 46 GLN C C 564 178.300 178.300 178.503 -0.203 18091
249 1 1 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.441 -0.721 18091
250 1 1 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.455 -0.435 18091
251 1 1 . 1 1 46 46 GLN H H 564 7.510 7.510 7.662 -0.152 18091
252 1 1 . 1 1 47 47 GLU N N 565 117.680 117.680 118.241 -0.561 18091
253 1 1 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.949 -0.049 18091
254 1 1 . 1 1 47 47 GLU C C 565 179.070 179.070 179.035 0.035 18091
255 1 1 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.920 -0.540 18091
256 1 1 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.017 -0.027 18091
257 1 1 . 1 1 47 47 GLU H H 565 7.440 7.440 7.922 -0.482 18091
258 1 1 . 1 1 48 48 HIS N N 566 118.220 118.220 119.385 -1.165 18091
259 1 1 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.323 0.057 18091
260 1 1 . 1 1 48 48 HIS C C 566 177.280 177.280 176.749 0.531 18091
261 1 1 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.779 0.081 18091
262 1 1 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.833 1.607 18091
263 1 1 . 1 1 48 48 HIS H H 566 7.420 7.420 7.278 0.142 18091
264 1 1 . 1 1 49 49 MET N N 567 115.200 115.200 117.026 -1.826 18091
265 1 1 . 1 1 49 49 MET HA H 567 3.840 3.840 4.311 -0.471 18091
266 1 1 . 1 1 49 49 MET C C 567 175.260 175.260 177.893 -2.633 18091
267 1 1 . 1 1 49 49 MET CA C 567 57.840 57.840 58.577 -0.737 18091
268 1 1 . 1 1 49 49 MET CB C 567 33.080 33.080 33.012 0.068 18091
269 1 1 . 1 1 49 49 MET H H 567 7.710 7.710 7.890 -0.180 18091
270 1 1 . 1 1 50 50 LYS N N 568 116.040 116.040 116.328 -0.288 18091
271 1 1 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.026 -0.066 18091
272 1 1 . 1 1 50 50 LYS C C 568 176.220 176.220 177.361 -1.141 18091
273 1 1 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.661 -0.271 18091
274 1 1 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.452 -0.231 18091
275 1 1 . 1 1 50 50 LYS H H 568 7.140 7.140 7.514 -0.374 18091
276 1 1 . 1 1 51 51 ASN N N 569 119.600 119.600 119.069 0.531 18091
277 1 1 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.748 0.272 18091
278 1 1 . 1 1 51 51 ASN C C 569 173.920 173.920 175.336 -1.416 18091
279 1 1 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.500 -2.550 18091
280 1 1 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.993 -0.993 18091
281 1 1 . 1 1 51 51 ASN H H 569 7.480 7.480 7.526 -0.046 18091
282 1 1 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.270 -0.010 18091
283 1 1 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.802 -0.692 18091
284 1 1 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.083 0.187 18091
285 1 1 . 1 1 53 53 GLU N N 571 116.870 116.870 118.196 -1.326 18091
286 1 1 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.173 -0.103 18091
287 1 1 . 1 1 53 53 GLU C C 571 178.830 178.830 179.023 -0.193 18091
288 1 1 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.346 -0.466 18091
289 1 1 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.751 -0.321 18091
290 1 1 . 1 1 53 53 GLU H H 571 7.960 7.960 7.976 -0.016 18091
291 1 1 . 1 1 54 54 VAL N N 572 118.290 118.290 119.201 -0.911 18091
292 1 1 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.819 -0.159 18091
293 1 1 . 1 1 54 54 VAL C C 572 177.620 177.620 177.717 -0.097 18091
294 1 1 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.893 -0.793 18091
295 1 1 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.555 0.655 18091
296 1 1 . 1 1 54 54 VAL H H 572 7.330 7.330 7.568 -0.238 18091
297 1 1 . 1 1 55 55 PHE N N 573 121.090 121.090 122.295 -1.205 18091
298 1 1 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.120 -0.230 18091
299 1 1 . 1 1 55 55 PHE C C 573 176.760 176.760 176.970 -0.210 18091
300 1 1 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.311 -0.081 18091
301 1 1 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.821 -0.201 18091
302 1 1 . 1 1 55 55 PHE H H 573 8.700 8.700 9.011 -0.311 18091
303 1 1 . 1 1 56 56 LYS N N 574 116.910 116.910 118.132 -1.222 18091
304 1 1 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.756 0.034 18091
305 1 1 . 1 1 56 56 LYS C C 574 178.980 178.980 179.047 -0.067 18091
306 1 1 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.465 0.015 18091
307 1 1 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.269 -0.069 18091
308 1 1 . 1 1 56 56 LYS H H 574 7.800 7.800 7.715 0.085 18091
309 1 1 . 1 1 57 57 LYS N N 575 119.120 119.120 119.756 -0.636 18091
310 1 1 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.000 -0.090 18091
311 1 1 . 1 1 57 57 LYS C C 575 178.520 178.520 179.036 -0.516 18091
312 1 1 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.555 0.395 18091
313 1 1 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.370 0.690 18091
314 1 1 . 1 1 57 57 LYS H H 575 7.170 7.170 7.264 -0.094 18091
315 1 1 . 1 1 58 58 ILE N N 576 119.180 119.180 119.450 -0.270 18091
316 1 1 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.722 -0.402 18091
317 1 1 . 1 1 58 58 ILE C C 576 177.820 177.820 178.275 -0.455 18091
318 1 1 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.321 0.209 18091
319 1 1 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.027 -0.777 18091
320 1 1 . 1 1 58 58 ILE H H 576 8.300 8.300 8.430 -0.130 18091
321 1 1 . 1 1 59 59 GLN N N 577 118.000 118.000 118.305 -0.305 18091
322 1 1 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.843 -0.173 18091
323 1 1 . 1 1 59 59 GLN C C 577 179.250 179.250 178.539 0.711 18091
324 1 1 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.005 0.114 18091
325 1 1 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.236 -0.396 18091
326 1 1 . 1 1 59 59 GLN H H 577 8.180 8.180 7.922 0.258 18091
327 1 1 . 1 1 60 60 THR N N 578 118.670 118.670 117.135 1.535 18091
328 1 1 . 1 1 60 60 THR HA H 578 3.760 3.760 3.970 -0.210 18091
329 1 1 . 1 1 60 60 THR C C 578 176.060 176.060 176.507 -0.447 18091
330 1 1 . 1 1 60 60 THR CA C 578 66.890 66.890 66.678 0.212 18091
331 1 1 . 1 1 60 60 THR CB C 578 68.030 68.030 68.260 -0.230 18091
332 1 1 . 1 1 60 60 THR H H 578 7.780 7.780 7.660 0.120 18091
333 1 1 . 1 1 61 61 LEU N N 579 120.680 120.680 120.648 0.032 18091
334 1 1 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.029 -0.179 18091
335 1 1 . 1 1 61 61 LEU C C 579 179.590 179.590 178.619 0.971 18091
336 1 1 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.678 -0.028 18091
337 1 1 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.364 -0.384 18091
338 1 1 . 1 1 61 61 LEU H H 579 7.620 7.620 7.370 0.250 18091
339 1 1 . 1 1 62 62 ILE N N 580 122.880 122.880 120.838 2.042 18091
340 1 1 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.882 0.148 18091
341 1 1 . 1 1 62 62 ILE C C 580 180.260 180.260 179.144 1.116 18091
342 1 1 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.055 -0.325 18091
343 1 1 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.713 0.597 18091
344 1 1 . 1 1 62 62 ILE H H 580 8.540 8.540 7.584 0.956 18091
345 1 1 . 1 1 63 63 ALA N N 581 124.510 124.510 122.978 1.532 18091
346 1 1 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.043 -0.073 18091
347 1 1 . 1 1 63 63 ALA C C 581 179.000 179.000 178.490 0.510 18091
348 1 1 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.709 0.131 18091
349 1 1 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.236 -0.737 18091
350 1 1 . 1 1 63 63 ALA H H 581 8.120 8.120 8.055 0.065 18091
351 1 1 . 1 1 64 64 ALA N N 582 116.250 116.250 118.392 -2.142 18091
352 1 1 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.267 -0.127 18091
353 1 1 . 1 1 64 64 ALA C C 582 177.040 177.040 178.081 -1.041 18091
354 1 1 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.159 0.021 18091
355 1 1 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.270 0.590 18091
356 1 1 . 1 1 64 64 ALA H H 582 7.470 7.470 7.436 0.034 18091
357 1 1 . 1 1 65 65 GLY N N 583 104.540 104.540 107.112 -2.572 18091
358 1 1 . 1 1 65 65 GLY C C 583 174.180 174.180 175.335 -1.155 18091
359 1 1 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.127 -1.337 18091
360 1 1 . 1 1 65 65 GLY H H 583 7.600 7.600 7.742 -0.142 18091
361 1 1 . 1 1 66 66 ILE N N 584 118.630 118.630 117.668 0.962 18091
362 1 1 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.222 -0.462 18091
363 1 1 . 1 1 66 66 ILE C C 584 175.660 175.660 175.076 0.584 18091
364 1 1 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.656 -1.106 18091
365 1 1 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.829 -1.219 18091
366 1 1 . 1 1 66 66 ILE H H 584 7.590 7.590 7.902 -0.312 18091
367 1 1 . 1 1 67 67 ILE N N 585 116.360 116.360 117.624 -1.264 18091
368 1 1 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.409 -0.239 18091
369 1 1 . 1 1 67 67 ILE C C 585 174.370 174.370 174.593 -0.223 18091
370 1 1 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.044 -0.564 18091
371 1 1 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.039 -1.409 18091
372 1 1 . 1 1 67 67 ILE H H 585 6.490 6.490 7.284 -0.794 18091
373 1 1 . 1 1 68 68 ARG N N 586 125.450 125.450 126.199 -0.749 18091
374 1 1 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.611 -0.231 18091
375 1 1 . 1 1 68 68 ARG C C 586 175.720 175.720 176.116 -0.396 18091
376 1 1 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.253 -1.333 18091
377 1 1 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.892 0.428 18091
378 1 1 . 1 1 68 68 ARG H H 586 8.500 8.500 8.664 -0.164 18091
379 1 1 . 1 1 69 69 THR N N 587 113.710 113.710 117.084 -3.374 18091
380 1 1 . 1 1 69 69 THR HA H 587 4.300 4.300 4.470 -0.170 18091
381 1 1 . 1 1 69 69 THR C C 587 174.760 174.760 175.213 -0.453 18091
382 1 1 . 1 1 69 69 THR CA C 587 61.300 61.300 61.370 -0.070 18091
383 1 1 . 1 1 69 69 THR CB C 587 69.720 69.720 69.362 0.357 18091
384 1 1 . 1 1 69 69 THR H H 587 8.250 8.250 8.750 -0.500 18091
385 1 1 . 1 1 70 70 GLY N N 588 110.720 110.720 109.434 1.286 18091
386 1 1 . 1 1 70 70 GLY C C 588 172.820 172.820 173.574 -0.754 18091
387 1 1 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.474 0.686 18091
388 1 1 . 1 1 70 70 GLY H H 588 8.230 8.230 7.862 0.368 18091
389 1 2 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.545 -0.315 18091
390 1 2 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.902 0.348 18091
391 1 2 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.626 -0.666 18091
392 1 2 . 1 1 3 3 GLY N N 521 109.400 109.400 109.366 0.034 18091
393 1 2 . 1 1 3 3 GLY C C 521 174.300 174.300 174.887 -0.587 18091
394 1 2 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.930 0.250 18091
395 1 2 . 1 1 3 3 GLY H H 521 8.490 8.490 8.320 0.170 18091
396 1 2 . 1 1 4 4 THR N N 522 112.480 112.480 111.240 1.240 18091
397 1 2 . 1 1 4 4 THR HA H 522 4.300 4.300 4.335 -0.035 18091
398 1 2 . 1 1 4 4 THR C C 522 174.690 174.690 176.261 -1.571 18091
399 1 2 . 1 1 4 4 THR CA C 522 61.240 61.240 63.500 -2.260 18091
400 1 2 . 1 1 4 4 THR CB C 522 69.960 69.960 69.237 0.723 18091
401 1 2 . 1 1 4 4 THR H H 522 7.860 7.860 8.212 -0.352 18091
402 1 2 . 1 1 5 5 SER N N 523 117.450 117.450 117.021 0.429 18091
403 1 2 . 1 1 5 5 SER HA H 523 3.890 3.890 4.247 -0.357 18091
404 1 2 . 1 1 5 5 SER C C 523 173.320 173.320 176.038 -2.718 18091
405 1 2 . 1 1 5 5 SER CA C 523 58.460 58.460 60.353 -1.893 18091
406 1 2 . 1 1 5 5 SER CB C 523 63.690 63.690 63.190 0.500 18091
407 1 2 . 1 1 5 5 SER H H 523 8.300 8.300 7.948 0.352 18091
408 1 2 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.592 -0.242 18091
409 1 2 . 1 1 6 6 ASN C C 524 174.670 174.670 174.677 -0.007 18091
410 1 2 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.764 -0.704 18091
411 1 2 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.834 -0.124 18091
412 1 2 . 1 1 7 7 GLU N N 525 120.970 120.970 115.297 5.673 18091
413 1 2 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.047 0.293 18091
414 1 2 . 1 1 7 7 GLU C C 525 176.900 176.900 174.953 1.947 18091
415 1 2 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.485 -1.445 18091
416 1 2 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.577 1.493 18091
417 1 2 . 1 1 7 7 GLU H H 525 7.970 7.970 7.604 0.366 18091
418 1 2 . 1 1 8 8 THR N N 526 116.960 116.960 111.504 5.456 18091
419 1 2 . 1 1 8 8 THR HA H 526 4.540 4.540 4.789 -0.249 18091
420 1 2 . 1 1 8 8 THR C C 526 173.410 173.410 173.286 0.124 18091
421 1 2 . 1 1 8 8 THR CA C 526 60.080 60.080 59.902 0.178 18091
422 1 2 . 1 1 8 8 THR CB C 526 68.500 68.500 69.420 -0.920 18091
423 1 2 . 1 1 8 8 THR H H 526 8.630 8.630 8.382 0.248 18091
424 1 2 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.332 -0.142 18091
425 1 2 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.402 0.708 18091
426 1 2 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.143 -0.563 18091
427 1 2 . 1 1 10 10 GLU N N 528 118.610 118.610 117.390 1.220 18091
428 1 2 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.898 0.082 18091
429 1 2 . 1 1 10 10 GLU C C 528 178.550 178.550 178.526 0.024 18091
430 1 2 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.570 0.010 18091
431 1 2 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.234 -0.244 18091
432 1 2 . 1 1 10 10 GLU H H 528 8.550 8.550 8.892 -0.342 18091
433 1 2 . 1 1 11 11 GLU N N 529 121.090 121.090 118.929 2.161 18091
434 1 2 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.101 -0.171 18091
435 1 2 . 1 1 11 11 GLU C C 529 179.470 179.470 178.892 0.578 18091
436 1 2 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.344 -0.394 18091
437 1 2 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.555 -0.075 18091
438 1 2 . 1 1 11 11 GLU H H 529 7.870 7.870 7.618 0.252 18091
439 1 2 . 1 1 12 12 THR N N 530 118.050 118.050 116.756 1.294 18091
440 1 2 . 1 1 12 12 THR HA H 530 3.750 3.750 4.058 -0.308 18091
441 1 2 . 1 1 12 12 THR C C 530 175.770 175.770 176.678 -0.908 18091
442 1 2 . 1 1 12 12 THR CA C 530 66.320 66.320 67.429 -1.109 18091
443 1 2 . 1 1 12 12 THR CB C 530 68.430 68.430 68.819 -0.389 18091
444 1 2 . 1 1 12 12 THR H H 530 8.390 8.390 7.476 0.914 18091
445 1 2 . 1 1 13 13 TYR N N 531 122.280 122.280 121.041 1.239 18091
446 1 2 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.087 -0.267 18091
447 1 2 . 1 1 13 13 TYR C C 531 176.420 176.420 178.202 -1.782 18091
448 1 2 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.774 -0.334 18091
449 1 2 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.480 0.630 18091
450 1 2 . 1 1 13 13 TYR H H 531 8.050 8.050 8.125 -0.075 18091
451 1 2 . 1 1 14 14 GLN N N 532 116.250 116.250 118.096 -1.846 18091
452 1 2 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.917 -0.227 18091
453 1 2 . 1 1 14 14 GLN C C 532 178.800 178.800 178.370 0.430 18091
454 1 2 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.025 -0.405 18091
455 1 2 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.463 -0.403 18091
456 1 2 . 1 1 14 14 GLN H H 532 8.010 8.010 7.913 0.097 18091
457 1 2 . 1 1 15 15 ARG N N 533 118.730 118.730 119.792 -1.062 18091
458 1 2 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.012 -0.092 18091
459 1 2 . 1 1 15 15 ARG C C 533 179.030 179.030 178.903 0.127 18091
460 1 2 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.134 0.006 18091
461 1 2 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.226 -0.426 18091
462 1 2 . 1 1 15 15 ARG H H 533 7.800 7.800 7.854 -0.054 18091
463 1 2 . 1 1 16 16 ALA N N 534 123.500 123.500 121.637 1.863 18091
464 1 2 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.993 -0.033 18091
465 1 2 . 1 1 16 16 ALA C C 534 178.860 178.860 179.763 -0.903 18091
466 1 2 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.854 -0.184 18091
467 1 2 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.396 0.334 18091
468 1 2 . 1 1 16 16 ALA H H 534 8.210 8.210 7.904 0.306 18091
469 1 2 . 1 1 17 17 MET N N 535 111.910 111.910 115.417 -3.507 18091
470 1 2 . 1 1 17 17 MET HA H 535 4.020 4.020 4.176 -0.156 18091
471 1 2 . 1 1 17 17 MET C C 535 176.890 176.890 177.512 -0.622 18091
472 1 2 . 1 1 17 17 MET CA C 535 55.200 55.200 57.286 -2.086 18091
473 1 2 . 1 1 17 17 MET CB C 535 31.110 31.110 31.776 -0.665 18091
474 1 2 . 1 1 17 17 MET H H 535 7.480 7.480 7.971 -0.491 18091
475 1 2 . 1 1 18 18 LYS N N 536 116.840 116.840 116.784 0.056 18091
476 1 2 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.159 -0.169 18091
477 1 2 . 1 1 18 18 LYS C C 536 176.690 176.690 176.601 0.089 18091
478 1 2 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.129 -0.539 18091
479 1 2 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.509 -0.169 18091
480 1 2 . 1 1 18 18 LYS H H 536 7.180 7.180 7.260 -0.080 18091
481 1 2 . 1 1 19 19 ASP N N 537 122.680 122.680 120.897 1.783 18091
482 1 2 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.866 -0.066 18091
483 1 2 . 1 1 19 19 ASP C C 537 174.720 174.720 175.389 -0.669 18091
484 1 2 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.923 0.167 18091
485 1 2 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.225 0.745 18091
486 1 2 . 1 1 19 19 ASP H H 537 7.530 7.530 7.593 -0.063 18091
487 1 2 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.244 -0.104 18091
488 1 2 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.687 0.063 18091
489 1 2 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.113 0.007 18091
490 1 2 . 1 1 21 21 GLU N N 539 118.590 118.590 118.184 0.406 18091
491 1 2 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.052 -0.042 18091
492 1 2 . 1 1 21 21 GLU C C 539 179.010 179.010 178.962 0.048 18091
493 1 2 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.058 -0.208 18091
494 1 2 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.273 0.067 18091
495 1 2 . 1 1 21 21 GLU H H 539 8.200 8.200 7.862 0.338 18091
496 1 2 . 1 1 22 22 VAL N N 540 120.690 120.690 120.438 0.252 18091
497 1 2 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.499 -0.269 18091
498 1 2 . 1 1 22 22 VAL C C 540 177.740 177.740 177.644 0.096 18091
499 1 2 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.448 -0.358 18091
500 1 2 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.552 -0.202 18091
501 1 2 . 1 1 22 22 VAL H H 540 7.350 7.350 7.853 -0.503 18091
502 1 2 . 1 1 23 23 ALA N N 541 121.460 121.460 121.766 -0.306 18091
503 1 2 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.924 -0.154 18091
504 1 2 . 1 1 23 23 ALA C C 541 179.660 179.660 179.107 0.553 18091
505 1 2 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.102 0.288 18091
506 1 2 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.049 -0.340 18091
507 1 2 . 1 1 23 23 ALA H H 541 8.430 8.430 7.461 0.969 18091
508 1 2 . 1 1 24 24 ALA N N 542 117.000 117.000 121.119 -4.119 18091
509 1 2 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.105 -0.165 18091
510 1 2 . 1 1 24 24 ALA C C 542 180.880 180.880 179.312 1.568 18091
511 1 2 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.670 0.029 18091
512 1 2 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.437 -0.487 18091
513 1 2 . 1 1 24 24 ALA H H 542 7.380 7.380 7.555 -0.175 18091
514 1 2 . 1 1 25 25 ILE N N 543 119.750 119.750 117.816 1.934 18091
515 1 2 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.778 -0.088 18091
516 1 2 . 1 1 25 25 ILE C C 543 177.450 177.450 177.208 0.242 18091
517 1 2 . 1 1 25 25 ILE CA C 543 64.960 64.960 63.859 1.101 18091
518 1 2 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.110 0.170 18091
519 1 2 . 1 1 25 25 ILE H H 543 7.380 7.380 7.367 0.013 18091
520 1 2 . 1 1 26 26 MET N N 544 113.830 113.830 115.250 -1.420 18091
521 1 2 . 1 1 26 26 MET HA H 544 4.140 4.140 4.104 0.036 18091
522 1 2 . 1 1 26 26 MET C C 544 177.680 177.680 177.065 0.615 18091
523 1 2 . 1 1 26 26 MET CA C 544 55.660 55.660 58.072 -2.412 18091
524 1 2 . 1 1 26 26 MET CB C 544 30.690 30.690 33.008 -2.318 18091
525 1 2 . 1 1 26 26 MET H H 544 7.870 7.870 7.588 0.282 18091
526 1 2 . 1 1 27 27 GLN N N 545 115.210 115.210 116.390 -1.180 18091
527 1 2 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.336 -0.256 18091
528 1 2 . 1 1 27 27 GLN C C 545 175.170 175.170 174.980 0.190 18091
529 1 2 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.773 -0.333 18091
530 1 2 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.810 -0.820 18091
531 1 2 . 1 1 27 27 GLN H H 545 7.340 7.340 7.439 -0.099 18091
532 1 2 . 1 1 28 28 ASP N N 546 123.270 123.270 117.881 5.389 18091
533 1 2 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.528 0.192 18091
534 1 2 . 1 1 28 28 ASP C C 546 175.220 175.220 175.543 -0.323 18091
535 1 2 . 1 1 28 28 ASP CA C 546 51.340 51.340 54.059 -2.719 18091
536 1 2 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.190 1.190 18091
537 1 2 . 1 1 28 28 ASP H H 546 7.320 7.320 8.441 -1.121 18091
538 1 2 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.358 -0.238 18091
539 1 2 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.186 0.734 18091
540 1 2 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.474 -0.214 18091
541 1 2 . 1 1 30 30 VAL N N 548 119.870 119.870 119.877 -0.007 18091
542 1 2 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.659 -0.079 18091
543 1 2 . 1 1 30 30 VAL C C 548 179.010 179.010 177.903 1.107 18091
544 1 2 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.285 -0.285 18091
545 1 2 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.407 -0.297 18091
546 1 2 . 1 1 30 30 VAL H H 548 8.000 8.000 7.871 0.129 18091
547 1 2 . 1 1 31 31 MET N N 549 118.270 118.270 117.106 1.164 18091
548 1 2 . 1 1 31 31 MET HA H 549 4.340 4.340 3.921 0.419 18091
549 1 2 . 1 1 31 31 MET C C 549 178.830 178.830 178.333 0.497 18091
550 1 2 . 1 1 31 31 MET CA C 549 55.140 55.140 59.405 -4.265 18091
551 1 2 . 1 1 31 31 MET CB C 549 28.840 28.840 32.146 -3.306 18091
552 1 2 . 1 1 31 31 MET H H 549 7.250 7.250 7.799 -0.549 18091
553 1 2 . 1 1 32 32 GLN N N 550 118.190 118.190 118.642 -0.452 18091
554 1 2 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.931 -0.191 18091
555 1 2 . 1 1 32 32 GLN C C 550 178.840 178.840 178.494 0.346 18091
556 1 2 . 1 1 32 32 GLN CA C 550 59.420 59.420 58.999 0.421 18091
557 1 2 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.199 -0.539 18091
558 1 2 . 1 1 32 32 GLN H H 550 8.310 8.310 7.983 0.327 18091
559 1 2 . 1 1 33 33 SER N N 551 114.010 114.010 115.324 -1.314 18091
560 1 2 . 1 1 33 33 SER HA H 551 4.140 4.140 4.196 -0.056 18091
561 1 2 . 1 1 33 33 SER C C 551 176.840 176.840 176.478 0.362 18091
562 1 2 . 1 1 33 33 SER CA C 551 61.330 61.330 61.575 -0.245 18091
563 1 2 . 1 1 33 33 SER CB C 551 62.450 62.450 63.026 -0.576 18091
564 1 2 . 1 1 33 33 SER H H 551 7.570 7.570 7.546 0.024 18091
565 1 2 . 1 1 34 34 ILE N N 552 123.490 123.490 122.341 1.149 18091
566 1 2 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.563 -0.283 18091
567 1 2 . 1 1 34 34 ILE C C 552 177.630 177.630 178.104 -0.474 18091
568 1 2 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.213 0.467 18091
569 1 2 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.547 0.173 18091
570 1 2 . 1 1 34 34 ILE H H 552 7.600 7.600 7.565 0.035 18091
571 1 2 . 1 1 35 35 LEU N N 553 119.520 119.520 119.566 -0.046 18091
572 1 2 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.794 -0.044 18091
573 1 2 . 1 1 35 35 LEU C C 553 179.440 179.440 179.264 0.176 18091
574 1 2 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.137 -0.187 18091
575 1 2 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.284 -0.584 18091
576 1 2 . 1 1 35 35 LEU H H 553 8.330 8.330 7.706 0.624 18091
577 1 2 . 1 1 36 36 GLN N N 554 118.590 118.590 117.515 1.075 18091
578 1 2 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.887 0.033 18091
579 1 2 . 1 1 36 36 GLN C C 554 178.560 178.560 178.795 -0.235 18091
580 1 2 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.166 -0.506 18091
581 1 2 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.478 -0.418 18091
582 1 2 . 1 1 36 36 GLN H H 554 7.800 7.800 7.825 -0.025 18091
583 1 2 . 1 1 37 37 GLN N N 555 119.520 119.520 119.020 0.500 18091
584 1 2 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.041 -0.111 18091
585 1 2 . 1 1 37 37 GLN C C 555 178.400 178.400 178.635 -0.235 18091
586 1 2 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.778 -0.248 18091
587 1 2 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.759 0.031 18091
588 1 2 . 1 1 37 37 GLN H H 555 7.990 7.990 8.115 -0.125 18091
589 1 2 . 1 1 38 38 ALA N N 556 120.730 120.730 120.856 -0.126 18091
590 1 2 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.291 -0.181 18091
591 1 2 . 1 1 38 38 ALA C C 556 178.310 178.310 179.244 -0.934 18091
592 1 2 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.487 -0.987 18091
593 1 2 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.299 0.071 18091
594 1 2 . 1 1 38 38 ALA H H 556 8.310 8.310 8.195 0.115 18091
595 1 2 . 1 1 39 39 GLN N N 557 115.600 115.600 118.558 -2.958 18091
596 1 2 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.070 -0.110 18091
597 1 2 . 1 1 39 39 GLN C C 557 177.260 177.260 178.315 -1.055 18091
598 1 2 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.270 -0.350 18091
599 1 2 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.821 -0.341 18091
600 1 2 . 1 1 39 39 GLN H H 557 7.530 7.530 7.753 -0.223 18091
601 1 2 . 1 1 40 40 GLN N N 558 115.310 115.310 116.167 -0.857 18091
602 1 2 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.213 -0.033 18091
603 1 2 . 1 1 40 40 GLN C C 558 176.030 176.030 176.157 -0.127 18091
604 1 2 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.251 -0.701 18091
605 1 2 . 1 1 40 40 GLN CB C 558 29.320 29.320 30.032 -0.712 18091
606 1 2 . 1 1 40 40 GLN H H 558 7.350 7.350 7.660 -0.310 18091
607 1 2 . 1 1 41 41 ASN N N 559 114.850 114.850 115.998 -1.148 18091
608 1 2 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.043 -0.093 18091
609 1 2 . 1 1 41 41 ASN C C 559 172.420 172.420 173.496 -1.076 18091
610 1 2 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.465 -1.035 18091
611 1 2 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.666 -1.786 18091
612 1 2 . 1 1 41 41 ASN H H 559 7.900 7.900 7.971 -0.071 18091
613 1 2 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.448 -0.118 18091
614 1 2 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.614 0.386 18091
615 1 2 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.106 -0.426 18091
616 1 2 . 1 1 43 43 ALA N N 561 119.920 119.920 121.591 -1.671 18091
617 1 2 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.111 0.019 18091
618 1 2 . 1 1 43 43 ALA C C 561 179.510 179.510 179.116 0.394 18091
619 1 2 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.760 -0.710 18091
620 1 2 . 1 1 43 43 ALA CB C 561 18.050 18.050 17.974 0.076 18091
621 1 2 . 1 1 43 43 ALA H H 561 7.850 7.850 7.695 0.155 18091
622 1 2 . 1 1 44 44 ALA N N 562 120.790 120.790 120.649 0.141 18091
623 1 2 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.358 -0.338 18091
624 1 2 . 1 1 44 44 ALA C C 562 179.570 179.570 179.068 0.502 18091
625 1 2 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.490 -0.370 18091
626 1 2 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.678 -0.478 18091
627 1 2 . 1 1 44 44 ALA H H 562 7.980 7.980 7.695 0.285 18091
628 1 2 . 1 1 45 45 LEU N N 563 116.420 116.420 116.875 -0.455 18091
629 1 2 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.436 -0.456 18091
630 1 2 . 1 1 45 45 LEU C C 563 178.220 178.220 178.664 -0.444 18091
631 1 2 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.361 0.279 18091
632 1 2 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.372 0.318 18091
633 1 2 . 1 1 45 45 LEU H H 563 7.510 7.510 7.369 0.141 18091
634 1 2 . 1 1 46 46 GLN N N 564 115.510 115.510 119.177 -3.667 18091
635 1 2 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.961 -0.101 18091
636 1 2 . 1 1 46 46 GLN C C 564 178.300 178.300 178.382 -0.082 18091
637 1 2 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.396 -0.676 18091
638 1 2 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.398 -0.378 18091
639 1 2 . 1 1 46 46 GLN H H 564 7.510 7.510 7.697 -0.187 18091
640 1 2 . 1 1 47 47 GLU N N 565 117.680 117.680 118.562 -0.882 18091
641 1 2 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.938 -0.038 18091
642 1 2 . 1 1 47 47 GLU C C 565 179.070 179.070 179.114 -0.044 18091
643 1 2 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.944 -0.564 18091
644 1 2 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.987 0.003 18091
645 1 2 . 1 1 47 47 GLU H H 565 7.440 7.440 7.804 -0.364 18091
646 1 2 . 1 1 48 48 HIS N N 566 118.220 118.220 119.188 -0.968 18091
647 1 2 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.301 0.079 18091
648 1 2 . 1 1 48 48 HIS C C 566 177.280 177.280 176.785 0.495 18091
649 1 2 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.875 -0.015 18091
650 1 2 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.750 1.690 18091
651 1 2 . 1 1 48 48 HIS H H 566 7.420 7.420 7.640 -0.220 18091
652 1 2 . 1 1 49 49 MET N N 567 115.200 115.200 117.715 -2.515 18091
653 1 2 . 1 1 49 49 MET HA H 567 3.840 3.840 4.248 -0.408 18091
654 1 2 . 1 1 49 49 MET C C 567 175.260 175.260 178.117 -2.857 18091
655 1 2 . 1 1 49 49 MET CA C 567 57.840 57.840 58.509 -0.669 18091
656 1 2 . 1 1 49 49 MET CB C 567 33.080 33.080 32.752 0.329 18091
657 1 2 . 1 1 49 49 MET H H 567 7.710 7.710 7.869 -0.159 18091
658 1 2 . 1 1 50 50 LYS N N 568 116.040 116.040 117.239 -1.199 18091
659 1 2 . 1 1 50 50 LYS HA H 568 3.960 3.960 3.983 -0.023 18091
660 1 2 . 1 1 50 50 LYS C C 568 176.220 176.220 177.352 -1.132 18091
661 1 2 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.791 -0.402 18091
662 1 2 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.421 -0.201 18091
663 1 2 . 1 1 50 50 LYS H H 568 7.140 7.140 7.624 -0.484 18091
664 1 2 . 1 1 51 51 ASN N N 569 119.600 119.600 119.237 0.363 18091
665 1 2 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.709 0.311 18091
666 1 2 . 1 1 51 51 ASN C C 569 173.920 173.920 175.076 -1.156 18091
667 1 2 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.105 -2.155 18091
668 1 2 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.491 -0.491 18091
669 1 2 . 1 1 51 51 ASN H H 569 7.480 7.480 7.687 -0.207 18091
670 1 2 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.278 -0.018 18091
671 1 2 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.906 -0.796 18091
672 1 2 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.139 0.131 18091
673 1 2 . 1 1 53 53 GLU N N 571 116.870 116.870 119.300 -2.430 18091
674 1 2 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.160 -0.090 18091
675 1 2 . 1 1 53 53 GLU C C 571 178.830 178.830 179.143 -0.313 18091
676 1 2 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.598 -0.718 18091
677 1 2 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.371 0.059 18091
678 1 2 . 1 1 53 53 GLU H H 571 7.960 7.960 8.755 -0.795 18091
679 1 2 . 1 1 54 54 VAL N N 572 118.290 118.290 119.561 -1.271 18091
680 1 2 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.772 -0.112 18091
681 1 2 . 1 1 54 54 VAL C C 572 177.620 177.620 177.777 -0.157 18091
682 1 2 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.690 -0.590 18091
683 1 2 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.663 0.547 18091
684 1 2 . 1 1 54 54 VAL H H 572 7.330 7.330 7.816 -0.486 18091
685 1 2 . 1 1 55 55 PHE N N 573 121.090 121.090 121.955 -0.865 18091
686 1 2 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.228 -0.338 18091
687 1 2 . 1 1 55 55 PHE C C 573 176.760 176.760 177.055 -0.295 18091
688 1 2 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.401 0.829 18091
689 1 2 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.954 -0.334 18091
690 1 2 . 1 1 55 55 PHE H H 573 8.700 8.700 8.821 -0.121 18091
691 1 2 . 1 1 56 56 LYS N N 574 116.910 116.910 118.535 -1.625 18091
692 1 2 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.730 0.060 18091
693 1 2 . 1 1 56 56 LYS C C 574 178.980 178.980 178.949 0.031 18091
694 1 2 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.558 -0.078 18091
695 1 2 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.240 -0.040 18091
696 1 2 . 1 1 56 56 LYS H H 574 7.800 7.800 7.758 0.042 18091
697 1 2 . 1 1 57 57 LYS N N 575 119.120 119.120 119.557 -0.437 18091
698 1 2 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.986 -0.076 18091
699 1 2 . 1 1 57 57 LYS C C 575 178.520 178.520 179.081 -0.561 18091
700 1 2 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.539 0.411 18091
701 1 2 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.378 0.682 18091
702 1 2 . 1 1 57 57 LYS H H 575 7.170 7.170 7.243 -0.073 18091
703 1 2 . 1 1 58 58 ILE N N 576 119.180 119.180 118.950 0.230 18091
704 1 2 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.737 -0.417 18091
705 1 2 . 1 1 58 58 ILE C C 576 177.820 177.820 178.193 -0.373 18091
706 1 2 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.887 0.643 18091
707 1 2 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.929 -0.679 18091
708 1 2 . 1 1 58 58 ILE H H 576 8.300 8.300 8.420 -0.120 18091
709 1 2 . 1 1 59 59 GLN N N 577 118.000 118.000 118.725 -0.725 18091
710 1 2 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.794 -0.124 18091
711 1 2 . 1 1 59 59 GLN C C 577 179.250 179.250 178.326 0.924 18091
712 1 2 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.373 -0.253 18091
713 1 2 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.277 -0.437 18091
714 1 2 . 1 1 59 59 GLN H H 577 8.180 8.180 7.767 0.413 18091
715 1 2 . 1 1 60 60 THR N N 578 118.670 118.670 116.931 1.739 18091
716 1 2 . 1 1 60 60 THR HA H 578 3.760 3.760 3.937 -0.177 18091
717 1 2 . 1 1 60 60 THR C C 578 176.060 176.060 176.470 -0.410 18091
718 1 2 . 1 1 60 60 THR CA C 578 66.890 66.890 66.669 0.221 18091
719 1 2 . 1 1 60 60 THR CB C 578 68.030 68.030 68.249 -0.219 18091
720 1 2 . 1 1 60 60 THR H H 578 7.780 7.780 7.619 0.161 18091
721 1 2 . 1 1 61 61 LEU N N 579 120.680 120.680 120.528 0.152 18091
722 1 2 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.963 -0.113 18091
723 1 2 . 1 1 61 61 LEU C C 579 179.590 179.590 178.613 0.977 18091
724 1 2 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.670 -0.020 18091
725 1 2 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.311 -0.331 18091
726 1 2 . 1 1 61 61 LEU H H 579 7.620 7.620 7.294 0.326 18091
727 1 2 . 1 1 62 62 ILE N N 580 122.880 122.880 120.480 2.400 18091
728 1 2 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.725 0.305 18091
729 1 2 . 1 1 62 62 ILE C C 580 180.260 180.260 179.092 1.168 18091
730 1 2 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.940 -0.210 18091
731 1 2 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.701 0.609 18091
732 1 2 . 1 1 62 62 ILE H H 580 8.540 8.540 7.544 0.996 18091
733 1 2 . 1 1 63 63 ALA N N 581 124.510 124.510 122.912 1.598 18091
734 1 2 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.036 -0.066 18091
735 1 2 . 1 1 63 63 ALA C C 581 179.000 179.000 178.756 0.244 18091
736 1 2 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.745 0.095 18091
737 1 2 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.314 -0.814 18091
738 1 2 . 1 1 63 63 ALA H H 581 8.120 8.120 8.033 0.087 18091
739 1 2 . 1 1 64 64 ALA N N 582 116.250 116.250 118.485 -2.235 18091
740 1 2 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.241 -0.101 18091
741 1 2 . 1 1 64 64 ALA C C 582 177.040 177.040 177.652 -0.612 18091
742 1 2 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.768 0.412 18091
743 1 2 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.886 0.974 18091
744 1 2 . 1 1 64 64 ALA H H 582 7.470 7.470 7.485 -0.015 18091
745 1 2 . 1 1 65 65 GLY N N 583 104.540 104.540 106.147 -1.607 18091
746 1 2 . 1 1 65 65 GLY C C 583 174.180 174.180 175.028 -0.848 18091
747 1 2 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.904 -1.114 18091
748 1 2 . 1 1 65 65 GLY H H 583 7.600 7.600 7.644 -0.044 18091
749 1 2 . 1 1 66 66 ILE N N 584 118.630 118.630 117.553 1.077 18091
750 1 2 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.750 0.010 18091
751 1 2 . 1 1 66 66 ILE C C 584 175.660 175.660 175.454 0.206 18091
752 1 2 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.523 -0.973 18091
753 1 2 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.372 -0.762 18091
754 1 2 . 1 1 66 66 ILE H H 584 7.590 7.590 7.633 -0.043 18091
755 1 2 . 1 1 67 67 ILE N N 585 116.360 116.360 119.095 -2.735 18091
756 1 2 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.321 -0.151 18091
757 1 2 . 1 1 67 67 ILE C C 585 174.370 174.370 174.663 -0.293 18091
758 1 2 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.022 -0.542 18091
759 1 2 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.981 -1.351 18091
760 1 2 . 1 1 67 67 ILE H H 585 6.490 6.490 7.258 -0.768 18091
761 1 2 . 1 1 68 68 ARG N N 586 125.450 125.450 125.772 -0.322 18091
762 1 2 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.595 -0.215 18091
763 1 2 . 1 1 68 68 ARG C C 586 175.720 175.720 175.799 -0.079 18091
764 1 2 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.114 -1.194 18091
765 1 2 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.781 0.539 18091
766 1 2 . 1 1 68 68 ARG H H 586 8.500 8.500 8.610 -0.110 18091
767 1 2 . 1 1 69 69 THR N N 587 113.710 113.710 114.443 -0.733 18091
768 1 2 . 1 1 69 69 THR HA H 587 4.300 4.300 4.745 -0.445 18091
769 1 2 . 1 1 69 69 THR C C 587 174.760 174.760 174.423 0.337 18091
770 1 2 . 1 1 69 69 THR CA C 587 61.300 61.300 61.338 -0.038 18091
771 1 2 . 1 1 69 69 THR CB C 587 69.720 69.720 70.489 -0.769 18091
772 1 2 . 1 1 69 69 THR H H 587 8.250 8.250 8.272 -0.022 18091
773 1 2 . 1 1 70 70 GLY N N 588 110.720 110.720 109.130 1.590 18091
774 1 2 . 1 1 70 70 GLY C C 588 172.820 172.820 173.104 -0.284 18091
775 1 2 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.047 1.113 18091
776 1 2 . 1 1 70 70 GLY H H 588 8.230 8.230 8.960 -0.730 18091
777 1 3 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.593 -0.363 18091
778 1 3 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.230 0.020 18091
779 1 3 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.544 -0.584 18091
780 1 3 . 1 1 3 3 GLY N N 521 109.400 109.400 110.262 -0.862 18091
781 1 3 . 1 1 3 3 GLY C C 521 174.300 174.300 173.849 0.451 18091
782 1 3 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.923 0.257 18091
783 1 3 . 1 1 3 3 GLY H H 521 8.490 8.490 8.466 0.024 18091
784 1 3 . 1 1 4 4 THR N N 522 112.480 112.480 112.458 0.022 18091
785 1 3 . 1 1 4 4 THR HA H 522 4.300 4.300 4.502 -0.202 18091
786 1 3 . 1 1 4 4 THR C C 522 174.690 174.690 174.837 -0.147 18091
787 1 3 . 1 1 4 4 THR CA C 522 61.240 61.240 60.891 0.349 18091
788 1 3 . 1 1 4 4 THR CB C 522 69.960 69.960 70.169 -0.209 18091
789 1 3 . 1 1 4 4 THR H H 522 7.860 7.860 7.885 -0.025 18091
790 1 3 . 1 1 5 5 SER N N 523 117.450 117.450 117.110 0.340 18091
791 1 3 . 1 1 5 5 SER HA H 523 3.890 3.890 4.579 -0.689 18091
792 1 3 . 1 1 5 5 SER C C 523 173.320 173.320 173.327 -0.007 18091
793 1 3 . 1 1 5 5 SER CA C 523 58.460 58.460 58.759 -0.299 18091
794 1 3 . 1 1 5 5 SER CB C 523 63.690 63.690 63.250 0.440 18091
795 1 3 . 1 1 5 5 SER H H 523 8.300 8.300 8.572 -0.272 18091
796 1 3 . 1 1 6 6 ASN HA H 524 4.350 4.350 5.042 -0.692 18091
797 1 3 . 1 1 6 6 ASN C C 524 174.670 174.670 173.744 0.926 18091
798 1 3 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.374 -0.314 18091
799 1 3 . 1 1 6 6 ASN CB C 524 38.710 38.710 37.990 0.720 18091
800 1 3 . 1 1 7 7 GLU N N 525 120.970 120.970 117.565 3.405 18091
801 1 3 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.544 -0.204 18091
802 1 3 . 1 1 7 7 GLU C C 525 176.900 176.900 175.585 1.315 18091
803 1 3 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.618 0.422 18091
804 1 3 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.783 -0.713 18091
805 1 3 . 1 1 7 7 GLU H H 525 7.970 7.970 7.406 0.564 18091
806 1 3 . 1 1 8 8 THR N N 526 116.960 116.960 109.198 7.762 18091
807 1 3 . 1 1 8 8 THR HA H 526 4.540 4.540 4.026 0.514 18091
808 1 3 . 1 1 8 8 THR C C 526 173.410 173.410 173.917 -0.507 18091
809 1 3 . 1 1 8 8 THR CA C 526 60.080 60.080 62.763 -2.683 18091
810 1 3 . 1 1 8 8 THR CB C 526 68.500 68.500 67.562 0.938 18091
811 1 3 . 1 1 8 8 THR H H 526 8.630 8.630 8.404 0.226 18091
812 1 3 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.261 -0.071 18091
813 1 3 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.276 -0.166 18091
814 1 3 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.662 -0.082 18091
815 1 3 . 1 1 10 10 GLU N N 528 118.610 118.610 117.907 0.703 18091
816 1 3 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.020 -0.040 18091
817 1 3 . 1 1 10 10 GLU C C 528 178.550 178.550 178.606 -0.056 18091
818 1 3 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.619 -0.039 18091
819 1 3 . 1 1 10 10 GLU CB C 528 28.990 28.990 28.978 0.012 18091
820 1 3 . 1 1 10 10 GLU H H 528 8.550 8.550 7.889 0.661 18091
821 1 3 . 1 1 11 11 GLU N N 529 121.090 121.090 118.873 2.217 18091
822 1 3 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.063 -0.133 18091
823 1 3 . 1 1 11 11 GLU C C 529 179.470 179.470 178.324 1.146 18091
824 1 3 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.391 -0.441 18091
825 1 3 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.567 -0.087 18091
826 1 3 . 1 1 11 11 GLU H H 529 7.870 7.870 8.709 -0.839 18091
827 1 3 . 1 1 12 12 THR N N 530 118.050 118.050 116.975 1.075 18091
828 1 3 . 1 1 12 12 THR HA H 530 3.750 3.750 4.013 -0.263 18091
829 1 3 . 1 1 12 12 THR C C 530 175.770 175.770 175.886 -0.116 18091
830 1 3 . 1 1 12 12 THR CA C 530 66.320 66.320 67.070 -0.750 18091
831 1 3 . 1 1 12 12 THR CB C 530 68.430 68.430 68.606 -0.176 18091
832 1 3 . 1 1 12 12 THR H H 530 8.390 8.390 7.822 0.568 18091
833 1 3 . 1 1 13 13 TYR N N 531 122.280 122.280 122.525 -0.245 18091
834 1 3 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.972 -0.152 18091
835 1 3 . 1 1 13 13 TYR C C 531 176.420 176.420 177.258 -0.838 18091
836 1 3 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.225 -0.785 18091
837 1 3 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.404 -0.294 18091
838 1 3 . 1 1 13 13 TYR H H 531 8.050 8.050 7.745 0.305 18091
839 1 3 . 1 1 14 14 GLN N N 532 116.250 116.250 117.504 -1.254 18091
840 1 3 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.959 -0.269 18091
841 1 3 . 1 1 14 14 GLN C C 532 178.800 178.800 178.472 0.328 18091
842 1 3 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.924 -0.304 18091
843 1 3 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.318 -0.258 18091
844 1 3 . 1 1 14 14 GLN H H 532 8.010 8.010 8.072 -0.062 18091
845 1 3 . 1 1 15 15 ARG N N 533 118.730 118.730 120.316 -1.586 18091
846 1 3 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.000 -0.080 18091
847 1 3 . 1 1 15 15 ARG C C 533 179.030 179.030 179.137 -0.107 18091
848 1 3 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.952 0.188 18091
849 1 3 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.033 -0.233 18091
850 1 3 . 1 1 15 15 ARG H H 533 7.800 7.800 7.973 -0.173 18091
851 1 3 . 1 1 16 16 ALA N N 534 123.500 123.500 122.859 0.641 18091
852 1 3 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.054 -0.094 18091
853 1 3 . 1 1 16 16 ALA C C 534 178.860 178.860 180.083 -1.223 18091
854 1 3 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.728 -0.058 18091
855 1 3 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.162 0.568 18091
856 1 3 . 1 1 16 16 ALA H H 534 8.210 8.210 7.866 0.344 18091
857 1 3 . 1 1 17 17 MET N N 535 111.910 111.910 114.824 -2.914 18091
858 1 3 . 1 1 17 17 MET HA H 535 4.020 4.020 4.078 -0.058 18091
859 1 3 . 1 1 17 17 MET C C 535 176.890 176.890 177.406 -0.516 18091
860 1 3 . 1 1 17 17 MET CA C 535 55.200 55.200 57.246 -2.046 18091
861 1 3 . 1 1 17 17 MET CB C 535 31.110 31.110 31.804 -0.694 18091
862 1 3 . 1 1 17 17 MET H H 535 7.480 7.480 7.793 -0.313 18091
863 1 3 . 1 1 18 18 LYS N N 536 116.840 116.840 116.401 0.439 18091
864 1 3 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.213 -0.223 18091
865 1 3 . 1 1 18 18 LYS C C 536 176.690 176.690 176.598 0.092 18091
866 1 3 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.758 -0.168 18091
867 1 3 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.650 -0.310 18091
868 1 3 . 1 1 18 18 LYS H H 536 7.180 7.180 7.294 -0.114 18091
869 1 3 . 1 1 19 19 ASP N N 537 122.680 122.680 121.149 1.531 18091
870 1 3 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.869 -0.069 18091
871 1 3 . 1 1 19 19 ASP C C 537 174.720 174.720 175.263 -0.543 18091
872 1 3 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.193 -0.103 18091
873 1 3 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.427 0.543 18091
874 1 3 . 1 1 19 19 ASP H H 537 7.530 7.530 7.546 -0.016 18091
875 1 3 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.242 -0.102 18091
876 1 3 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.943 -0.193 18091
877 1 3 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.065 0.055 18091
878 1 3 . 1 1 21 21 GLU N N 539 118.590 118.590 117.644 0.946 18091
879 1 3 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.047 -0.037 18091
880 1 3 . 1 1 21 21 GLU C C 539 179.010 179.010 178.846 0.164 18091
881 1 3 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.240 -0.391 18091
882 1 3 . 1 1 21 21 GLU CB C 539 29.340 29.340 28.946 0.394 18091
883 1 3 . 1 1 21 21 GLU H H 539 8.200 8.200 8.488 -0.288 18091
884 1 3 . 1 1 22 22 VAL N N 540 120.690 120.690 120.652 0.038 18091
885 1 3 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.529 -0.299 18091
886 1 3 . 1 1 22 22 VAL C C 540 177.740 177.740 177.586 0.154 18091
887 1 3 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.892 -0.802 18091
888 1 3 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.445 -0.095 18091
889 1 3 . 1 1 22 22 VAL H H 540 7.350 7.350 7.475 -0.125 18091
890 1 3 . 1 1 23 23 ALA N N 541 121.460 121.460 122.171 -0.711 18091
891 1 3 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.904 -0.134 18091
892 1 3 . 1 1 23 23 ALA C C 541 179.660 179.660 179.166 0.494 18091
893 1 3 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.047 0.342 18091
894 1 3 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.172 -0.462 18091
895 1 3 . 1 1 23 23 ALA H H 541 8.430 8.430 7.579 0.851 18091
896 1 3 . 1 1 24 24 ALA N N 542 117.000 117.000 120.725 -3.725 18091
897 1 3 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.028 -0.088 18091
898 1 3 . 1 1 24 24 ALA C C 542 180.880 180.880 179.550 1.330 18091
899 1 3 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.599 0.101 18091
900 1 3 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.587 -0.637 18091
901 1 3 . 1 1 24 24 ALA H H 542 7.380 7.380 7.641 -0.261 18091
902 1 3 . 1 1 25 25 ILE N N 543 119.750 119.750 117.353 2.397 18091
903 1 3 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.710 -0.020 18091
904 1 3 . 1 1 25 25 ILE C C 543 177.450 177.450 177.785 -0.335 18091
905 1 3 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.448 0.512 18091
906 1 3 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.307 -0.027 18091
907 1 3 . 1 1 25 25 ILE H H 543 7.380 7.380 7.421 -0.041 18091
908 1 3 . 1 1 26 26 MET N N 544 113.830 113.830 115.081 -1.251 18091
909 1 3 . 1 1 26 26 MET HA H 544 4.140 4.140 4.150 -0.010 18091
910 1 3 . 1 1 26 26 MET C C 544 177.680 177.680 176.795 0.885 18091
911 1 3 . 1 1 26 26 MET CA C 544 55.660 55.660 57.715 -2.054 18091
912 1 3 . 1 1 26 26 MET CB C 544 30.690 30.690 32.825 -2.135 18091
913 1 3 . 1 1 26 26 MET H H 544 7.870 7.870 7.692 0.178 18091
914 1 3 . 1 1 27 27 GLN N N 545 115.210 115.210 116.815 -1.605 18091
915 1 3 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.313 -0.233 18091
916 1 3 . 1 1 27 27 GLN C C 545 175.170 175.170 175.405 -0.235 18091
917 1 3 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.108 -0.668 18091
918 1 3 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.363 -0.373 18091
919 1 3 . 1 1 27 27 GLN H H 545 7.340 7.340 7.451 -0.111 18091
920 1 3 . 1 1 28 28 ASP N N 546 123.270 123.270 118.228 5.042 18091
921 1 3 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.502 0.218 18091
922 1 3 . 1 1 28 28 ASP C C 546 175.220 175.220 175.756 -0.536 18091
923 1 3 . 1 1 28 28 ASP CA C 546 51.340 51.340 54.195 -2.855 18091
924 1 3 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.264 1.116 18091
925 1 3 . 1 1 28 28 ASP H H 546 7.320 7.320 8.428 -1.108 18091
926 1 3 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.301 -0.181 18091
927 1 3 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.131 0.789 18091
928 1 3 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.366 -0.106 18091
929 1 3 . 1 1 30 30 VAL N N 548 119.870 119.870 118.988 0.882 18091
930 1 3 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.678 -0.098 18091
931 1 3 . 1 1 30 30 VAL C C 548 179.010 179.010 177.618 1.392 18091
932 1 3 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.614 -0.614 18091
933 1 3 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.188 -0.077 18091
934 1 3 . 1 1 30 30 VAL H H 548 8.000 8.000 7.862 0.138 18091
935 1 3 . 1 1 31 31 MET N N 549 118.270 118.270 116.685 1.585 18091
936 1 3 . 1 1 31 31 MET HA H 549 4.340 4.340 4.020 0.320 18091
937 1 3 . 1 1 31 31 MET C C 549 178.830 178.830 178.145 0.685 18091
938 1 3 . 1 1 31 31 MET CA C 549 55.140 55.140 59.039 -3.899 18091
939 1 3 . 1 1 31 31 MET CB C 549 28.840 28.840 32.153 -3.312 18091
940 1 3 . 1 1 31 31 MET H H 549 7.250 7.250 7.629 -0.379 18091
941 1 3 . 1 1 32 32 GLN N N 550 118.190 118.190 120.023 -1.833 18091
942 1 3 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.955 -0.215 18091
943 1 3 . 1 1 32 32 GLN C C 550 178.840 178.840 178.317 0.523 18091
944 1 3 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.455 -0.035 18091
945 1 3 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.472 -0.812 18091
946 1 3 . 1 1 32 32 GLN H H 550 8.310 8.310 7.882 0.428 18091
947 1 3 . 1 1 33 33 SER N N 551 114.010 114.010 115.823 -1.813 18091
948 1 3 . 1 1 33 33 SER HA H 551 4.140 4.140 4.153 -0.013 18091
949 1 3 . 1 1 33 33 SER C C 551 176.840 176.840 176.763 0.077 18091
950 1 3 . 1 1 33 33 SER CA C 551 61.330 61.330 62.288 -0.958 18091
951 1 3 . 1 1 33 33 SER CB C 551 62.450 62.450 63.040 -0.590 18091
952 1 3 . 1 1 33 33 SER H H 551 7.570 7.570 7.594 -0.024 18091
953 1 3 . 1 1 34 34 ILE N N 552 123.490 123.490 122.740 0.750 18091
954 1 3 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.647 -0.367 18091
955 1 3 . 1 1 34 34 ILE C C 552 177.630 177.630 178.030 -0.400 18091
956 1 3 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.116 0.564 18091
957 1 3 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.502 0.218 18091
958 1 3 . 1 1 34 34 ILE H H 552 7.600 7.600 7.537 0.063 18091
959 1 3 . 1 1 35 35 LEU N N 553 119.520 119.520 119.527 -0.007 18091
960 1 3 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.811 -0.061 18091
961 1 3 . 1 1 35 35 LEU C C 553 179.440 179.440 179.010 0.430 18091
962 1 3 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.090 -0.140 18091
963 1 3 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.305 -0.605 18091
964 1 3 . 1 1 35 35 LEU H H 553 8.330 8.330 7.860 0.470 18091
965 1 3 . 1 1 36 36 GLN N N 554 118.590 118.590 118.617 -0.027 18091
966 1 3 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.818 0.102 18091
967 1 3 . 1 1 36 36 GLN C C 554 178.560 178.560 178.568 -0.008 18091
968 1 3 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.292 -0.632 18091
969 1 3 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.677 -0.617 18091
970 1 3 . 1 1 36 36 GLN H H 554 7.800 7.800 7.899 -0.099 18091
971 1 3 . 1 1 37 37 GLN N N 555 119.520 119.520 118.493 1.027 18091
972 1 3 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.013 -0.083 18091
973 1 3 . 1 1 37 37 GLN C C 555 178.400 178.400 178.493 -0.093 18091
974 1 3 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.581 -0.051 18091
975 1 3 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.580 0.210 18091
976 1 3 . 1 1 37 37 GLN H H 555 7.990 7.990 8.003 -0.013 18091
977 1 3 . 1 1 38 38 ALA N N 556 120.730 120.730 121.622 -0.892 18091
978 1 3 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.338 -0.228 18091
979 1 3 . 1 1 38 38 ALA C C 556 178.310 178.310 179.456 -1.146 18091
980 1 3 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.752 -1.252 18091
981 1 3 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.306 0.064 18091
982 1 3 . 1 1 38 38 ALA H H 556 8.310 8.310 8.024 0.286 18091
983 1 3 . 1 1 39 39 GLN N N 557 115.600 115.600 118.016 -2.416 18091
984 1 3 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.046 -0.086 18091
985 1 3 . 1 1 39 39 GLN C C 557 177.260 177.260 178.601 -1.341 18091
986 1 3 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.400 -0.480 18091
987 1 3 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.590 -0.110 18091
988 1 3 . 1 1 39 39 GLN H H 557 7.530 7.530 7.767 -0.237 18091
989 1 3 . 1 1 40 40 GLN N N 558 115.310 115.310 116.974 -1.664 18091
990 1 3 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.144 0.036 18091
991 1 3 . 1 1 40 40 GLN C C 558 176.030 176.030 176.567 -0.537 18091
992 1 3 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.616 -1.066 18091
993 1 3 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.818 -0.498 18091
994 1 3 . 1 1 40 40 GLN H H 558 7.350 7.350 7.648 -0.298 18091
995 1 3 . 1 1 41 41 ASN N N 559 114.850 114.850 115.404 -0.554 18091
996 1 3 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.096 -0.146 18091
997 1 3 . 1 1 41 41 ASN C C 559 172.420 172.420 173.244 -0.824 18091
998 1 3 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.342 -0.912 18091
999 1 3 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.259 -2.379 18091
1000 1 3 . 1 1 41 41 ASN H H 559 7.900 7.900 8.097 -0.197 18091
1001 1 3 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.638 -0.308 18091
1002 1 3 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.509 0.491 18091
1003 1 3 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.246 -0.566 18091
1004 1 3 . 1 1 43 43 ALA N N 561 119.920 119.920 120.703 -0.783 18091
1005 1 3 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.176 -0.046 18091
1006 1 3 . 1 1 43 43 ALA C C 561 179.510 179.510 179.000 0.510 18091
1007 1 3 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.419 -0.369 18091
1008 1 3 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.230 -0.180 18091
1009 1 3 . 1 1 43 43 ALA H H 561 7.850 7.850 8.051 -0.201 18091
1010 1 3 . 1 1 44 44 ALA N N 562 120.790 120.790 121.645 -0.855 18091
1011 1 3 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.274 -0.254 18091
1012 1 3 . 1 1 44 44 ALA C C 562 179.570 179.570 179.096 0.474 18091
1013 1 3 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.135 -1.014 18091
1014 1 3 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.490 -0.290 18091
1015 1 3 . 1 1 44 44 ALA H H 562 7.980 7.980 7.617 0.363 18091
1016 1 3 . 1 1 45 45 LEU N N 563 116.420 116.420 115.873 0.547 18091
1017 1 3 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.247 -0.267 18091
1018 1 3 . 1 1 45 45 LEU C C 563 178.220 178.220 178.881 -0.661 18091
1019 1 3 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.897 0.743 18091
1020 1 3 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.587 1.103 18091
1021 1 3 . 1 1 45 45 LEU H H 563 7.510 7.510 7.787 -0.277 18091
1022 1 3 . 1 1 46 46 GLN N N 564 115.510 115.510 120.332 -4.822 18091
1023 1 3 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.989 -0.129 18091
1024 1 3 . 1 1 46 46 GLN C C 564 178.300 178.300 178.062 0.238 18091
1025 1 3 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.147 -0.427 18091
1026 1 3 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.450 -0.430 18091
1027 1 3 . 1 1 46 46 GLN H H 564 7.510 7.510 7.940 -0.430 18091
1028 1 3 . 1 1 47 47 GLU N N 565 117.680 117.680 118.407 -0.727 18091
1029 1 3 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.981 -0.081 18091
1030 1 3 . 1 1 47 47 GLU C C 565 179.070 179.070 179.166 -0.096 18091
1031 1 3 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.075 -0.695 18091
1032 1 3 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.064 -0.074 18091
1033 1 3 . 1 1 47 47 GLU H H 565 7.440 7.440 7.863 -0.423 18091
1034 1 3 . 1 1 48 48 HIS N N 566 118.220 118.220 119.320 -1.100 18091
1035 1 3 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.368 0.012 18091
1036 1 3 . 1 1 48 48 HIS C C 566 177.280 177.280 176.876 0.404 18091
1037 1 3 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.070 -0.210 18091
1038 1 3 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.838 1.601 18091
1039 1 3 . 1 1 48 48 HIS H H 566 7.420 7.420 7.518 -0.098 18091
1040 1 3 . 1 1 49 49 MET N N 567 115.200 115.200 117.305 -2.105 18091
1041 1 3 . 1 1 49 49 MET HA H 567 3.840 3.840 4.332 -0.492 18091
1042 1 3 . 1 1 49 49 MET C C 567 175.260 175.260 177.560 -2.300 18091
1043 1 3 . 1 1 49 49 MET CA C 567 57.840 57.840 58.321 -0.481 18091
1044 1 3 . 1 1 49 49 MET CB C 567 33.080 33.080 32.829 0.251 18091
1045 1 3 . 1 1 49 49 MET H H 567 7.710 7.710 7.847 -0.137 18091
1046 1 3 . 1 1 50 50 LYS N N 568 116.040 116.040 116.637 -0.597 18091
1047 1 3 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.072 -0.112 18091
1048 1 3 . 1 1 50 50 LYS C C 568 176.220 176.220 176.804 -0.584 18091
1049 1 3 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.455 -0.065 18091
1050 1 3 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.316 -0.096 18091
1051 1 3 . 1 1 50 50 LYS H H 568 7.140 7.140 7.428 -0.288 18091
1052 1 3 . 1 1 51 51 ASN N N 569 119.600 119.600 117.901 1.699 18091
1053 1 3 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.820 0.200 18091
1054 1 3 . 1 1 51 51 ASN C C 569 173.920 173.920 175.392 -1.472 18091
1055 1 3 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.929 -1.979 18091
1056 1 3 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.832 -0.832 18091
1057 1 3 . 1 1 51 51 ASN H H 569 7.480 7.480 7.483 -0.003 18091
1058 1 3 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.368 -0.108 18091
1059 1 3 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.686 -0.576 18091
1060 1 3 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.165 0.105 18091
1061 1 3 . 1 1 53 53 GLU N N 571 116.870 116.870 118.535 -1.665 18091
1062 1 3 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.153 -0.083 18091
1063 1 3 . 1 1 53 53 GLU C C 571 178.830 178.830 178.977 -0.147 18091
1064 1 3 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.424 -0.544 18091
1065 1 3 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.604 -0.174 18091
1066 1 3 . 1 1 53 53 GLU H H 571 7.960 7.960 8.298 -0.338 18091
1067 1 3 . 1 1 54 54 VAL N N 572 118.290 118.290 119.159 -0.869 18091
1068 1 3 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.810 -0.150 18091
1069 1 3 . 1 1 54 54 VAL C C 572 177.620 177.620 177.853 -0.233 18091
1070 1 3 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.027 -0.927 18091
1071 1 3 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.459 0.751 18091
1072 1 3 . 1 1 54 54 VAL H H 572 7.330 7.330 7.759 -0.429 18091
1073 1 3 . 1 1 55 55 PHE N N 573 121.090 121.090 122.445 -1.355 18091
1074 1 3 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.037 -0.147 18091
1075 1 3 . 1 1 55 55 PHE C C 573 176.760 176.760 177.031 -0.271 18091
1076 1 3 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.251 -0.021 18091
1077 1 3 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.729 -0.109 18091
1078 1 3 . 1 1 55 55 PHE H H 573 8.700 8.700 8.596 0.104 18091
1079 1 3 . 1 1 56 56 LYS N N 574 116.910 116.910 118.493 -1.583 18091
1080 1 3 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.806 -0.016 18091
1081 1 3 . 1 1 56 56 LYS C C 574 178.980 178.980 178.976 0.004 18091
1082 1 3 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.625 -0.145 18091
1083 1 3 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.266 -0.066 18091
1084 1 3 . 1 1 56 56 LYS H H 574 7.800 7.800 7.795 0.005 18091
1085 1 3 . 1 1 57 57 LYS N N 575 119.120 119.120 119.404 -0.284 18091
1086 1 3 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.998 -0.088 18091
1087 1 3 . 1 1 57 57 LYS C C 575 178.520 178.520 179.104 -0.584 18091
1088 1 3 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.476 0.474 18091
1089 1 3 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.386 0.673 18091
1090 1 3 . 1 1 57 57 LYS H H 575 7.170 7.170 7.243 -0.073 18091
1091 1 3 . 1 1 58 58 ILE N N 576 119.180 119.180 119.113 0.067 18091
1092 1 3 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.711 -0.391 18091
1093 1 3 . 1 1 58 58 ILE C C 576 177.820 177.820 178.160 -0.340 18091
1094 1 3 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.845 0.685 18091
1095 1 3 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.853 -0.603 18091
1096 1 3 . 1 1 58 58 ILE H H 576 8.300 8.300 8.482 -0.182 18091
1097 1 3 . 1 1 59 59 GLN N N 577 118.000 118.000 118.435 -0.435 18091
1098 1 3 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.780 -0.110 18091
1099 1 3 . 1 1 59 59 GLN C C 577 179.250 179.250 178.485 0.765 18091
1100 1 3 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.281 -0.161 18091
1101 1 3 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.271 -0.431 18091
1102 1 3 . 1 1 59 59 GLN H H 577 8.180 8.180 7.707 0.473 18091
1103 1 3 . 1 1 60 60 THR N N 578 118.670 118.670 116.555 2.115 18091
1104 1 3 . 1 1 60 60 THR HA H 578 3.760 3.760 3.938 -0.178 18091
1105 1 3 . 1 1 60 60 THR C C 578 176.060 176.060 176.562 -0.502 18091
1106 1 3 . 1 1 60 60 THR CA C 578 66.890 66.890 67.051 -0.161 18091
1107 1 3 . 1 1 60 60 THR CB C 578 68.030 68.030 68.549 -0.519 18091
1108 1 3 . 1 1 60 60 THR H H 578 7.780 7.780 7.562 0.218 18091
1109 1 3 . 1 1 61 61 LEU N N 579 120.680 120.680 120.787 -0.107 18091
1110 1 3 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.972 -0.122 18091
1111 1 3 . 1 1 61 61 LEU C C 579 179.590 179.590 178.902 0.688 18091
1112 1 3 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.691 -0.041 18091
1113 1 3 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.194 -0.214 18091
1114 1 3 . 1 1 61 61 LEU H H 579 7.620 7.620 7.306 0.314 18091
1115 1 3 . 1 1 62 62 ILE N N 580 122.880 122.880 120.269 2.611 18091
1116 1 3 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.924 0.106 18091
1117 1 3 . 1 1 62 62 ILE C C 580 180.260 180.260 179.123 1.137 18091
1118 1 3 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.836 -0.106 18091
1119 1 3 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.687 0.623 18091
1120 1 3 . 1 1 62 62 ILE H H 580 8.540 8.540 7.613 0.927 18091
1121 1 3 . 1 1 63 63 ALA N N 581 124.510 124.510 123.083 1.427 18091
1122 1 3 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.033 -0.063 18091
1123 1 3 . 1 1 63 63 ALA C C 581 179.000 179.000 178.734 0.266 18091
1124 1 3 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.778 0.062 18091
1125 1 3 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.285 -0.785 18091
1126 1 3 . 1 1 63 63 ALA H H 581 8.120 8.120 8.112 0.008 18091
1127 1 3 . 1 1 64 64 ALA N N 582 116.250 116.250 118.154 -1.904 18091
1128 1 3 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.133 0.007 18091
1129 1 3 . 1 1 64 64 ALA C C 582 177.040 177.040 177.610 -0.570 18091
1130 1 3 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.717 0.463 18091
1131 1 3 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.194 0.666 18091
1132 1 3 . 1 1 64 64 ALA H H 582 7.470 7.470 7.433 0.037 18091
1133 1 3 . 1 1 65 65 GLY N N 583 104.540 104.540 106.344 -1.804 18091
1134 1 3 . 1 1 65 65 GLY C C 583 174.180 174.180 175.088 -0.908 18091
1135 1 3 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.873 -1.083 18091
1136 1 3 . 1 1 65 65 GLY H H 583 7.600 7.600 7.722 -0.122 18091
1137 1 3 . 1 1 66 66 ILE N N 584 118.630 118.630 117.907 0.723 18091
1138 1 3 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.035 -0.275 18091
1139 1 3 . 1 1 66 66 ILE C C 584 175.660 175.660 175.538 0.122 18091
1140 1 3 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.436 -0.886 18091
1141 1 3 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.701 -1.091 18091
1142 1 3 . 1 1 66 66 ILE H H 584 7.590 7.590 7.758 -0.168 18091
1143 1 3 . 1 1 67 67 ILE N N 585 116.360 116.360 119.404 -3.044 18091
1144 1 3 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.323 -0.153 18091
1145 1 3 . 1 1 67 67 ILE C C 585 174.370 174.370 174.440 -0.070 18091
1146 1 3 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.225 -0.745 18091
1147 1 3 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.962 -1.332 18091
1148 1 3 . 1 1 67 67 ILE H H 585 6.490 6.490 7.326 -0.836 18091
1149 1 3 . 1 1 68 68 ARG N N 586 125.450 125.450 124.414 1.036 18091
1150 1 3 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.742 -0.362 18091
1151 1 3 . 1 1 68 68 ARG C C 586 175.720 175.720 175.152 0.568 18091
1152 1 3 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.583 -0.663 18091
1153 1 3 . 1 1 68 68 ARG CB C 586 31.320 31.320 32.570 -1.250 18091
1154 1 3 . 1 1 68 68 ARG H H 586 8.500 8.500 8.670 -0.170 18091
1155 1 3 . 1 1 69 69 THR N N 587 113.710 113.710 114.092 -0.382 18091
1156 1 3 . 1 1 69 69 THR HA H 587 4.300 4.300 4.706 -0.406 18091
1157 1 3 . 1 1 69 69 THR C C 587 174.760 174.760 174.689 0.071 18091
1158 1 3 . 1 1 69 69 THR CA C 587 61.300 61.300 61.137 0.163 18091
1159 1 3 . 1 1 69 69 THR CB C 587 69.720 69.720 70.308 -0.588 18091
1160 1 3 . 1 1 69 69 THR H H 587 8.250 8.250 8.409 -0.159 18091
1161 1 3 . 1 1 70 70 GLY N N 588 110.720 110.720 110.263 0.457 18091
1162 1 3 . 1 1 70 70 GLY C C 588 172.820 172.820 173.269 -0.449 18091
1163 1 3 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.540 0.620 18091
1164 1 3 . 1 1 70 70 GLY H H 588 8.230 8.230 8.567 -0.337 18091
1165 1 4 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.607 -0.377 18091
1166 1 4 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.081 0.168 18091
1167 1 4 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.802 -0.842 18091
1168 1 4 . 1 1 3 3 GLY N N 521 109.400 109.400 109.000 0.400 18091
1169 1 4 . 1 1 3 3 GLY C C 521 174.300 174.300 172.809 1.491 18091
1170 1 4 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.494 0.686 18091
1171 1 4 . 1 1 3 3 GLY H H 521 8.490 8.490 9.107 -0.617 18091
1172 1 4 . 1 1 4 4 THR N N 522 112.480 112.480 111.639 0.841 18091
1173 1 4 . 1 1 4 4 THR HA H 522 4.300 4.300 4.625 -0.325 18091
1174 1 4 . 1 1 4 4 THR C C 522 174.690 174.690 173.218 1.472 18091
1175 1 4 . 1 1 4 4 THR CA C 522 61.240 61.240 61.484 -0.244 18091
1176 1 4 . 1 1 4 4 THR CB C 522 69.960 69.960 70.427 -0.467 18091
1177 1 4 . 1 1 4 4 THR H H 522 7.860 7.860 8.052 -0.192 18091
1178 1 4 . 1 1 5 5 SER N N 523 117.450 117.450 115.609 1.841 18091
1179 1 4 . 1 1 5 5 SER HA H 523 3.890 3.890 4.591 -0.701 18091
1180 1 4 . 1 1 5 5 SER C C 523 173.320 173.320 173.051 0.269 18091
1181 1 4 . 1 1 5 5 SER CA C 523 58.460 58.460 57.717 0.743 18091
1182 1 4 . 1 1 5 5 SER CB C 523 63.690 63.690 64.947 -1.256 18091
1183 1 4 . 1 1 5 5 SER H H 523 8.300 8.300 8.408 -0.108 18091
1184 1 4 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.722 -0.372 18091
1185 1 4 . 1 1 6 6 ASN C C 524 174.670 174.670 174.080 0.590 18091
1186 1 4 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.669 -0.609 18091
1187 1 4 . 1 1 6 6 ASN CB C 524 38.710 38.710 37.642 1.068 18091
1188 1 4 . 1 1 7 7 GLU N N 525 120.970 120.970 124.209 -3.239 18091
1189 1 4 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.448 -0.108 18091
1190 1 4 . 1 1 7 7 GLU C C 525 176.900 176.900 174.784 2.116 18091
1191 1 4 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.840 0.200 18091
1192 1 4 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.254 -1.184 18091
1193 1 4 . 1 1 7 7 GLU H H 525 7.970 7.970 7.929 0.041 18091
1194 1 4 . 1 1 8 8 THR N N 526 116.960 116.960 114.241 2.719 18091
1195 1 4 . 1 1 8 8 THR HA H 526 4.540 4.540 4.051 0.489 18091
1196 1 4 . 1 1 8 8 THR C C 526 173.410 173.410 174.233 -0.823 18091
1197 1 4 . 1 1 8 8 THR CA C 526 60.080 60.080 63.243 -3.163 18091
1198 1 4 . 1 1 8 8 THR CB C 526 68.500 68.500 66.490 2.010 18091
1199 1 4 . 1 1 8 8 THR H H 526 8.630 8.630 8.533 0.097 18091
1200 1 4 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.194 -0.004 18091
1201 1 4 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.363 -0.253 18091
1202 1 4 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.733 -0.153 18091
1203 1 4 . 1 1 10 10 GLU N N 528 118.610 118.610 117.454 1.156 18091
1204 1 4 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.037 -0.057 18091
1205 1 4 . 1 1 10 10 GLU C C 528 178.550 178.550 178.456 0.094 18091
1206 1 4 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.482 0.098 18091
1207 1 4 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.207 -0.217 18091
1208 1 4 . 1 1 10 10 GLU H H 528 8.550 8.550 8.885 -0.335 18091
1209 1 4 . 1 1 11 11 GLU N N 529 121.090 121.090 118.483 2.607 18091
1210 1 4 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.095 -0.165 18091
1211 1 4 . 1 1 11 11 GLU C C 529 179.470 179.470 178.573 0.897 18091
1212 1 4 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.759 -0.809 18091
1213 1 4 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.481 -0.001 18091
1214 1 4 . 1 1 11 11 GLU H H 529 7.870 7.870 8.199 -0.329 18091
1215 1 4 . 1 1 12 12 THR N N 530 118.050 118.050 116.567 1.483 18091
1216 1 4 . 1 1 12 12 THR HA H 530 3.750 3.750 4.032 -0.282 18091
1217 1 4 . 1 1 12 12 THR C C 530 175.770 175.770 176.076 -0.306 18091
1218 1 4 . 1 1 12 12 THR CA C 530 66.320 66.320 66.942 -0.622 18091
1219 1 4 . 1 1 12 12 THR CB C 530 68.430 68.430 68.422 0.008 18091
1220 1 4 . 1 1 12 12 THR H H 530 8.390 8.390 7.391 0.999 18091
1221 1 4 . 1 1 13 13 TYR N N 531 122.280 122.280 122.619 -0.339 18091
1222 1 4 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.952 -0.132 18091
1223 1 4 . 1 1 13 13 TYR C C 531 176.420 176.420 177.439 -1.019 18091
1224 1 4 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.394 -0.954 18091
1225 1 4 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.344 -0.235 18091
1226 1 4 . 1 1 13 13 TYR H H 531 8.050 8.050 7.870 0.180 18091
1227 1 4 . 1 1 14 14 GLN N N 532 116.250 116.250 117.597 -1.347 18091
1228 1 4 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.910 -0.220 18091
1229 1 4 . 1 1 14 14 GLN C C 532 178.800 178.800 178.333 0.467 18091
1230 1 4 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.033 -0.413 18091
1231 1 4 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.520 -0.460 18091
1232 1 4 . 1 1 14 14 GLN H H 532 8.010 8.010 7.936 0.074 18091
1233 1 4 . 1 1 15 15 ARG N N 533 118.730 118.730 119.808 -1.078 18091
1234 1 4 . 1 1 15 15 ARG HA H 533 3.920 3.920 3.990 -0.070 18091
1235 1 4 . 1 1 15 15 ARG C C 533 179.030 179.030 178.872 0.158 18091
1236 1 4 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.119 0.021 18091
1237 1 4 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.192 -0.392 18091
1238 1 4 . 1 1 15 15 ARG H H 533 7.800 7.800 7.875 -0.075 18091
1239 1 4 . 1 1 16 16 ALA N N 534 123.500 123.500 121.803 1.697 18091
1240 1 4 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.946 0.014 18091
1241 1 4 . 1 1 16 16 ALA C C 534 178.860 178.860 179.623 -0.763 18091
1242 1 4 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.853 -0.183 18091
1243 1 4 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.321 0.409 18091
1244 1 4 . 1 1 16 16 ALA H H 534 8.210 8.210 7.878 0.332 18091
1245 1 4 . 1 1 17 17 MET N N 535 111.910 111.910 114.731 -2.821 18091
1246 1 4 . 1 1 17 17 MET HA H 535 4.020 4.020 4.103 -0.083 18091
1247 1 4 . 1 1 17 17 MET C C 535 176.890 176.890 177.430 -0.540 18091
1248 1 4 . 1 1 17 17 MET CA C 535 55.200 55.200 56.917 -1.717 18091
1249 1 4 . 1 1 17 17 MET CB C 535 31.110 31.110 31.642 -0.532 18091
1250 1 4 . 1 1 17 17 MET H H 535 7.480 7.480 7.706 -0.226 18091
1251 1 4 . 1 1 18 18 LYS N N 536 116.840 116.840 116.673 0.167 18091
1252 1 4 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.191 -0.201 18091
1253 1 4 . 1 1 18 18 LYS C C 536 176.690 176.690 176.584 0.106 18091
1254 1 4 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.936 -0.346 18091
1255 1 4 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.590 -0.250 18091
1256 1 4 . 1 1 18 18 LYS H H 536 7.180 7.180 7.283 -0.103 18091
1257 1 4 . 1 1 19 19 ASP N N 537 122.680 122.680 121.143 1.537 18091
1258 1 4 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.878 -0.078 18091
1259 1 4 . 1 1 19 19 ASP C C 537 174.720 174.720 175.244 -0.524 18091
1260 1 4 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.998 0.092 18091
1261 1 4 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.316 0.654 18091
1262 1 4 . 1 1 19 19 ASP H H 537 7.530 7.530 7.599 -0.069 18091
1263 1 4 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.225 -0.085 18091
1264 1 4 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.914 -0.164 18091
1265 1 4 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.080 0.040 18091
1266 1 4 . 1 1 21 21 GLU N N 539 118.590 118.590 117.843 0.747 18091
1267 1 4 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.061 -0.051 18091
1268 1 4 . 1 1 21 21 GLU C C 539 179.010 179.010 178.924 0.086 18091
1269 1 4 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.083 -0.233 18091
1270 1 4 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.284 0.056 18091
1271 1 4 . 1 1 21 21 GLU H H 539 8.200 8.200 7.907 0.293 18091
1272 1 4 . 1 1 22 22 VAL N N 540 120.690 120.690 120.430 0.260 18091
1273 1 4 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.506 -0.276 18091
1274 1 4 . 1 1 22 22 VAL C C 540 177.740 177.740 177.655 0.085 18091
1275 1 4 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.336 -0.246 18091
1276 1 4 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.436 -0.085 18091
1277 1 4 . 1 1 22 22 VAL H H 540 7.350 7.350 7.598 -0.248 18091
1278 1 4 . 1 1 23 23 ALA N N 541 121.460 121.460 122.239 -0.779 18091
1279 1 4 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.931 -0.161 18091
1280 1 4 . 1 1 23 23 ALA C C 541 179.660 179.660 179.267 0.393 18091
1281 1 4 . 1 1 23 23 ALA CA C 541 55.390 55.390 54.979 0.411 18091
1282 1 4 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.256 -0.546 18091
1283 1 4 . 1 1 23 23 ALA H H 541 8.430 8.430 7.525 0.905 18091
1284 1 4 . 1 1 24 24 ALA N N 542 117.000 117.000 121.224 -4.224 18091
1285 1 4 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.108 -0.168 18091
1286 1 4 . 1 1 24 24 ALA C C 542 180.880 180.880 179.144 1.736 18091
1287 1 4 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.654 0.046 18091
1288 1 4 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.299 -0.348 18091
1289 1 4 . 1 1 24 24 ALA H H 542 7.380 7.380 7.597 -0.217 18091
1290 1 4 . 1 1 25 25 ILE N N 543 119.750 119.750 118.091 1.659 18091
1291 1 4 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.789 -0.099 18091
1292 1 4 . 1 1 25 25 ILE C C 543 177.450 177.450 178.533 -1.083 18091
1293 1 4 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.414 0.546 18091
1294 1 4 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.227 0.052 18091
1295 1 4 . 1 1 25 25 ILE H H 543 7.380 7.380 7.424 -0.044 18091
1296 1 4 . 1 1 26 26 MET N N 544 113.830 113.830 117.552 -3.722 18091
1297 1 4 . 1 1 26 26 MET HA H 544 4.140 4.140 4.124 0.016 18091
1298 1 4 . 1 1 26 26 MET C C 544 177.680 177.680 177.923 -0.243 18091
1299 1 4 . 1 1 26 26 MET CA C 544 55.660 55.660 58.629 -2.969 18091
1300 1 4 . 1 1 26 26 MET CB C 544 30.690 30.690 32.647 -1.957 18091
1301 1 4 . 1 1 26 26 MET H H 544 7.870 7.870 7.711 0.159 18091
1302 1 4 . 1 1 27 27 GLN N N 545 115.210 115.210 115.778 -0.568 18091
1303 1 4 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.314 -0.234 18091
1304 1 4 . 1 1 27 27 GLN C C 545 175.170 175.170 175.605 -0.435 18091
1305 1 4 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.105 -0.665 18091
1306 1 4 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.387 -0.397 18091
1307 1 4 . 1 1 27 27 GLN H H 545 7.340 7.340 7.449 -0.109 18091
1308 1 4 . 1 1 28 28 ASP N N 546 123.270 123.270 119.141 4.129 18091
1309 1 4 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.023 -0.303 18091
1310 1 4 . 1 1 28 28 ASP C C 546 175.220 175.220 174.915 0.305 18091
1311 1 4 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.645 0.695 18091
1312 1 4 . 1 1 28 28 ASP CB C 546 42.380 42.380 43.004 -0.624 18091
1313 1 4 . 1 1 28 28 ASP H H 546 7.320 7.320 7.892 -0.572 18091
1314 1 4 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.386 -0.266 18091
1315 1 4 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.916 1.004 18091
1316 1 4 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.712 -0.452 18091
1317 1 4 . 1 1 30 30 VAL N N 548 119.870 119.870 119.285 0.585 18091
1318 1 4 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.719 -0.139 18091
1319 1 4 . 1 1 30 30 VAL C C 548 179.010 179.010 177.961 1.049 18091
1320 1 4 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.670 -0.670 18091
1321 1 4 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.164 -0.054 18091
1322 1 4 . 1 1 30 30 VAL H H 548 8.000 8.000 7.955 0.045 18091
1323 1 4 . 1 1 31 31 MET N N 549 118.270 118.270 116.932 1.338 18091
1324 1 4 . 1 1 31 31 MET HA H 549 4.340 4.340 3.962 0.378 18091
1325 1 4 . 1 1 31 31 MET C C 549 178.830 178.830 178.204 0.626 18091
1326 1 4 . 1 1 31 31 MET CA C 549 55.140 55.140 58.873 -3.732 18091
1327 1 4 . 1 1 31 31 MET CB C 549 28.840 28.840 32.077 -3.236 18091
1328 1 4 . 1 1 31 31 MET H H 549 7.250 7.250 7.884 -0.634 18091
1329 1 4 . 1 1 32 32 GLN N N 550 118.190 118.190 119.763 -1.573 18091
1330 1 4 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.929 -0.189 18091
1331 1 4 . 1 1 32 32 GLN C C 550 178.840 178.840 178.108 0.732 18091
1332 1 4 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.526 -0.106 18091
1333 1 4 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.632 -0.972 18091
1334 1 4 . 1 1 32 32 GLN H H 550 8.310 8.310 8.359 -0.049 18091
1335 1 4 . 1 1 33 33 SER N N 551 114.010 114.010 115.720 -1.710 18091
1336 1 4 . 1 1 33 33 SER HA H 551 4.140 4.140 4.164 -0.024 18091
1337 1 4 . 1 1 33 33 SER C C 551 176.840 176.840 176.845 -0.005 18091
1338 1 4 . 1 1 33 33 SER CA C 551 61.330 61.330 61.627 -0.297 18091
1339 1 4 . 1 1 33 33 SER CB C 551 62.450 62.450 62.981 -0.531 18091
1340 1 4 . 1 1 33 33 SER H H 551 7.570 7.570 7.749 -0.179 18091
1341 1 4 . 1 1 34 34 ILE N N 552 123.490 123.490 123.550 -0.060 18091
1342 1 4 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.764 -0.484 18091
1343 1 4 . 1 1 34 34 ILE C C 552 177.630 177.630 178.258 -0.628 18091
1344 1 4 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.735 0.945 18091
1345 1 4 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.405 0.315 18091
1346 1 4 . 1 1 34 34 ILE H H 552 7.600 7.600 7.430 0.170 18091
1347 1 4 . 1 1 35 35 LEU N N 553 119.520 119.520 119.656 -0.136 18091
1348 1 4 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.817 -0.067 18091
1349 1 4 . 1 1 35 35 LEU C C 553 179.440 179.440 179.341 0.099 18091
1350 1 4 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.026 -0.076 18091
1351 1 4 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.264 -0.564 18091
1352 1 4 . 1 1 35 35 LEU H H 553 8.330 8.330 7.789 0.541 18091
1353 1 4 . 1 1 36 36 GLN N N 554 118.590 118.590 117.469 1.121 18091
1354 1 4 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.917 0.003 18091
1355 1 4 . 1 1 36 36 GLN C C 554 178.560 178.560 178.887 -0.327 18091
1356 1 4 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.934 -0.273 18091
1357 1 4 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.117 -0.057 18091
1358 1 4 . 1 1 36 36 GLN H H 554 7.800 7.800 7.805 -0.005 18091
1359 1 4 . 1 1 37 37 GLN N N 555 119.520 119.520 118.980 0.540 18091
1360 1 4 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.235 -0.305 18091
1361 1 4 . 1 1 37 37 GLN C C 555 178.400 178.400 178.576 -0.176 18091
1362 1 4 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.687 -0.157 18091
1363 1 4 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.565 0.225 18091
1364 1 4 . 1 1 37 37 GLN H H 555 7.990 7.990 8.118 -0.128 18091
1365 1 4 . 1 1 38 38 ALA N N 556 120.730 120.730 121.134 -0.404 18091
1366 1 4 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.375 -0.265 18091
1367 1 4 . 1 1 38 38 ALA C C 556 178.310 178.310 179.604 -1.294 18091
1368 1 4 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.588 -1.088 18091
1369 1 4 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.345 0.025 18091
1370 1 4 . 1 1 38 38 ALA H H 556 8.310 8.310 8.048 0.262 18091
1371 1 4 . 1 1 39 39 GLN N N 557 115.600 115.600 117.885 -2.285 18091
1372 1 4 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.070 -0.110 18091
1373 1 4 . 1 1 39 39 GLN C C 557 177.260 177.260 178.589 -1.329 18091
1374 1 4 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.212 -0.292 18091
1375 1 4 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.512 -0.032 18091
1376 1 4 . 1 1 39 39 GLN H H 557 7.530 7.530 7.758 -0.228 18091
1377 1 4 . 1 1 40 40 GLN N N 558 115.310 115.310 117.379 -2.069 18091
1378 1 4 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091
1379 1 4 . 1 1 40 40 GLN C C 558 176.030 176.030 176.506 -0.476 18091
1380 1 4 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.626 -1.076 18091
1381 1 4 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.808 -0.488 18091
1382 1 4 . 1 1 40 40 GLN H H 558 7.350 7.350 7.694 -0.344 18091
1383 1 4 . 1 1 41 41 ASN N N 559 114.850 114.850 114.962 -0.112 18091
1384 1 4 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.080 -0.130 18091
1385 1 4 . 1 1 41 41 ASN C C 559 172.420 172.420 173.227 -0.807 18091
1386 1 4 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.632 -1.202 18091
1387 1 4 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.221 -2.341 18091
1388 1 4 . 1 1 41 41 ASN H H 559 7.900 7.900 8.117 -0.217 18091
1389 1 4 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.624 -0.294 18091
1390 1 4 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.679 0.321 18091
1391 1 4 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.257 -0.577 18091
1392 1 4 . 1 1 43 43 ALA N N 561 119.920 119.920 120.295 -0.375 18091
1393 1 4 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.177 -0.047 18091
1394 1 4 . 1 1 43 43 ALA C C 561 179.510 179.510 179.009 0.501 18091
1395 1 4 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.308 -0.258 18091
1396 1 4 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.199 -0.149 18091
1397 1 4 . 1 1 43 43 ALA H H 561 7.850 7.850 7.688 0.162 18091
1398 1 4 . 1 1 44 44 ALA N N 562 120.790 120.790 121.606 -0.816 18091
1399 1 4 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.146 -0.126 18091
1400 1 4 . 1 1 44 44 ALA C C 562 179.570 179.570 179.922 -0.352 18091
1401 1 4 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.356 -1.236 18091
1402 1 4 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.360 -0.160 18091
1403 1 4 . 1 1 44 44 ALA H H 562 7.980 7.980 7.730 0.250 18091
1404 1 4 . 1 1 45 45 LEU N N 563 116.420 116.420 116.890 -0.470 18091
1405 1 4 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.370 -0.390 18091
1406 1 4 . 1 1 45 45 LEU C C 563 178.220 178.220 178.802 -0.582 18091
1407 1 4 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.664 0.975 18091
1408 1 4 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.447 1.242 18091
1409 1 4 . 1 1 45 45 LEU H H 563 7.510 7.510 7.878 -0.368 18091
1410 1 4 . 1 1 46 46 GLN N N 564 115.510 115.510 119.770 -4.260 18091
1411 1 4 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.943 -0.083 18091
1412 1 4 . 1 1 46 46 GLN C C 564 178.300 178.300 178.496 -0.196 18091
1413 1 4 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.383 -0.663 18091
1414 1 4 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.486 -0.466 18091
1415 1 4 . 1 1 46 46 GLN H H 564 7.510 7.510 7.981 -0.471 18091
1416 1 4 . 1 1 47 47 GLU N N 565 117.680 117.680 118.084 -0.404 18091
1417 1 4 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.968 -0.068 18091
1418 1 4 . 1 1 47 47 GLU C C 565 179.070 179.070 179.232 -0.162 18091
1419 1 4 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.853 -0.473 18091
1420 1 4 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.066 -0.076 18091
1421 1 4 . 1 1 47 47 GLU H H 565 7.440 7.440 7.825 -0.385 18091
1422 1 4 . 1 1 48 48 HIS N N 566 118.220 118.220 119.511 -1.291 18091
1423 1 4 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.382 -0.002 18091
1424 1 4 . 1 1 48 48 HIS C C 566 177.280 177.280 177.855 -0.575 18091
1425 1 4 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.195 -0.335 18091
1426 1 4 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.817 1.623 18091
1427 1 4 . 1 1 48 48 HIS H H 566 7.420 7.420 7.526 -0.106 18091
1428 1 4 . 1 1 49 49 MET N N 567 115.200 115.200 118.488 -3.288 18091
1429 1 4 . 1 1 49 49 MET HA H 567 3.840 3.840 4.379 -0.539 18091
1430 1 4 . 1 1 49 49 MET C C 567 175.260 175.260 177.346 -2.086 18091
1431 1 4 . 1 1 49 49 MET CA C 567 57.840 57.840 58.681 -0.841 18091
1432 1 4 . 1 1 49 49 MET CB C 567 33.080 33.080 32.790 0.290 18091
1433 1 4 . 1 1 49 49 MET H H 567 7.710 7.710 7.994 -0.284 18091
1434 1 4 . 1 1 50 50 LYS N N 568 116.040 116.040 116.043 -0.003 18091
1435 1 4 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.098 -0.138 18091
1436 1 4 . 1 1 50 50 LYS C C 568 176.220 176.220 176.788 -0.568 18091
1437 1 4 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.479 -0.089 18091
1438 1 4 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.465 -0.245 18091
1439 1 4 . 1 1 50 50 LYS H H 568 7.140 7.140 7.596 -0.456 18091
1440 1 4 . 1 1 51 51 ASN N N 569 119.600 119.600 117.889 1.711 18091
1441 1 4 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.833 0.187 18091
1442 1 4 . 1 1 51 51 ASN C C 569 173.920 173.920 175.094 -1.174 18091
1443 1 4 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.480 -1.530 18091
1444 1 4 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.670 -0.670 18091
1445 1 4 . 1 1 51 51 ASN H H 569 7.480 7.480 7.421 0.059 18091
1446 1 4 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.310 -0.050 18091
1447 1 4 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.640 -0.530 18091
1448 1 4 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.024 0.246 18091
1449 1 4 . 1 1 53 53 GLU N N 571 116.870 116.870 120.105 -3.235 18091
1450 1 4 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.176 -0.106 18091
1451 1 4 . 1 1 53 53 GLU C C 571 178.830 178.830 178.788 0.042 18091
1452 1 4 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.560 -0.680 18091
1453 1 4 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.380 0.050 18091
1454 1 4 . 1 1 53 53 GLU H H 571 7.960 7.960 8.777 -0.817 18091
1455 1 4 . 1 1 54 54 VAL N N 572 118.290 118.290 119.482 -1.192 18091
1456 1 4 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.787 -0.127 18091
1457 1 4 . 1 1 54 54 VAL C C 572 177.620 177.620 177.781 -0.161 18091
1458 1 4 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.783 -0.683 18091
1459 1 4 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.675 0.535 18091
1460 1 4 . 1 1 54 54 VAL H H 572 7.330 7.330 7.851 -0.521 18091
1461 1 4 . 1 1 55 55 PHE N N 573 121.090 121.090 121.602 -0.512 18091
1462 1 4 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.042 -0.152 18091
1463 1 4 . 1 1 55 55 PHE C C 573 176.760 176.760 176.866 -0.106 18091
1464 1 4 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.241 -0.011 18091
1465 1 4 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.904 -0.284 18091
1466 1 4 . 1 1 55 55 PHE H H 573 8.700 8.700 8.485 0.215 18091
1467 1 4 . 1 1 56 56 LYS N N 574 116.910 116.910 118.680 -1.770 18091
1468 1 4 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.817 -0.027 18091
1469 1 4 . 1 1 56 56 LYS C C 574 178.980 178.980 179.039 -0.059 18091
1470 1 4 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.612 -0.132 18091
1471 1 4 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.293 -0.093 18091
1472 1 4 . 1 1 56 56 LYS H H 574 7.800 7.800 7.814 -0.014 18091
1473 1 4 . 1 1 57 57 LYS N N 575 119.120 119.120 119.570 -0.450 18091
1474 1 4 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.004 -0.094 18091
1475 1 4 . 1 1 57 57 LYS C C 575 178.520 178.520 179.118 -0.598 18091
1476 1 4 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.396 0.554 18091
1477 1 4 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.448 0.612 18091
1478 1 4 . 1 1 57 57 LYS H H 575 7.170 7.170 7.253 -0.083 18091
1479 1 4 . 1 1 58 58 ILE N N 576 119.180 119.180 119.307 -0.127 18091
1480 1 4 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.747 -0.427 18091
1481 1 4 . 1 1 58 58 ILE C C 576 177.820 177.820 178.515 -0.695 18091
1482 1 4 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.302 0.228 18091
1483 1 4 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.098 -0.848 18091
1484 1 4 . 1 1 58 58 ILE H H 576 8.300 8.300 8.506 -0.206 18091
1485 1 4 . 1 1 59 59 GLN N N 577 118.000 118.000 118.203 -0.203 18091
1486 1 4 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.779 -0.109 18091
1487 1 4 . 1 1 59 59 GLN C C 577 179.250 179.250 178.318 0.932 18091
1488 1 4 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.377 -0.257 18091
1489 1 4 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.227 -0.387 18091
1490 1 4 . 1 1 59 59 GLN H H 577 8.180 8.180 7.788 0.392 18091
1491 1 4 . 1 1 60 60 THR N N 578 118.670 118.670 117.548 1.122 18091
1492 1 4 . 1 1 60 60 THR HA H 578 3.760 3.760 3.886 -0.126 18091
1493 1 4 . 1 1 60 60 THR C C 578 176.060 176.060 176.380 -0.320 18091
1494 1 4 . 1 1 60 60 THR CA C 578 66.890 66.890 67.574 -0.684 18091
1495 1 4 . 1 1 60 60 THR CB C 578 68.030 68.030 68.454 -0.424 18091
1496 1 4 . 1 1 60 60 THR H H 578 7.780 7.780 7.575 0.205 18091
1497 1 4 . 1 1 61 61 LEU N N 579 120.680 120.680 120.502 0.178 18091
1498 1 4 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.976 -0.126 18091
1499 1 4 . 1 1 61 61 LEU C C 579 179.590 179.590 178.449 1.141 18091
1500 1 4 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.677 -0.027 18091
1501 1 4 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.374 -0.394 18091
1502 1 4 . 1 1 61 61 LEU H H 579 7.620 7.620 7.344 0.276 18091
1503 1 4 . 1 1 62 62 ILE N N 580 122.880 122.880 120.307 2.573 18091
1504 1 4 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.690 0.340 18091
1505 1 4 . 1 1 62 62 ILE C C 580 180.260 180.260 178.925 1.335 18091
1506 1 4 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.103 -0.373 18091
1507 1 4 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.621 0.689 18091
1508 1 4 . 1 1 62 62 ILE H H 580 8.540 8.540 7.513 1.027 18091
1509 1 4 . 1 1 63 63 ALA N N 581 124.510 124.510 123.021 1.489 18091
1510 1 4 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.033 -0.063 18091
1511 1 4 . 1 1 63 63 ALA C C 581 179.000 179.000 178.438 0.562 18091
1512 1 4 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.685 0.155 18091
1513 1 4 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.205 -0.705 18091
1514 1 4 . 1 1 63 63 ALA H H 581 8.120 8.120 8.111 0.009 18091
1515 1 4 . 1 1 64 64 ALA N N 582 116.250 116.250 118.069 -1.819 18091
1516 1 4 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.236 -0.096 18091
1517 1 4 . 1 1 64 64 ALA C C 582 177.040 177.040 177.756 -0.716 18091
1518 1 4 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.088 0.092 18091
1519 1 4 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.187 0.673 18091
1520 1 4 . 1 1 64 64 ALA H H 582 7.470 7.470 7.384 0.086 18091
1521 1 4 . 1 1 65 65 GLY N N 583 104.540 104.540 106.409 -1.869 18091
1522 1 4 . 1 1 65 65 GLY C C 583 174.180 174.180 175.369 -1.189 18091
1523 1 4 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.854 -1.064 18091
1524 1 4 . 1 1 65 65 GLY H H 583 7.600 7.600 7.675 -0.075 18091
1525 1 4 . 1 1 66 66 ILE N N 584 118.630 118.630 117.805 0.825 18091
1526 1 4 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.121 -0.361 18091
1527 1 4 . 1 1 66 66 ILE C C 584 175.660 175.660 175.759 -0.099 18091
1528 1 4 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.378 -0.828 18091
1529 1 4 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.618 -1.008 18091
1530 1 4 . 1 1 66 66 ILE H H 584 7.590 7.590 7.761 -0.171 18091
1531 1 4 . 1 1 67 67 ILE N N 585 116.360 116.360 119.861 -3.501 18091
1532 1 4 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.291 -0.121 18091
1533 1 4 . 1 1 67 67 ILE C C 585 174.370 174.370 174.447 -0.077 18091
1534 1 4 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.225 -0.745 18091
1535 1 4 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.453 -0.823 18091
1536 1 4 . 1 1 67 67 ILE H H 585 6.490 6.490 7.338 -0.848 18091
1537 1 4 . 1 1 68 68 ARG N N 586 125.450 125.450 123.187 2.263 18091
1538 1 4 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.725 -0.345 18091
1539 1 4 . 1 1 68 68 ARG C C 586 175.720 175.720 175.246 0.474 18091
1540 1 4 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.533 -0.613 18091
1541 1 4 . 1 1 68 68 ARG CB C 586 31.320 31.320 32.230 -0.910 18091
1542 1 4 . 1 1 68 68 ARG H H 586 8.500 8.500 8.611 -0.111 18091
1543 1 4 . 1 1 69 69 THR N N 587 113.710 113.710 113.440 0.270 18091
1544 1 4 . 1 1 69 69 THR HA H 587 4.300 4.300 4.810 -0.510 18091
1545 1 4 . 1 1 69 69 THR C C 587 174.760 174.760 174.719 0.041 18091
1546 1 4 . 1 1 69 69 THR CA C 587 61.300 61.300 61.349 -0.049 18091
1547 1 4 . 1 1 69 69 THR CB C 587 69.720 69.720 70.621 -0.901 18091
1548 1 4 . 1 1 69 69 THR H H 587 8.250 8.250 8.225 0.025 18091
1549 1 4 . 1 1 70 70 GLY N N 588 110.720 110.720 110.004 0.716 18091
1550 1 4 . 1 1 70 70 GLY C C 588 172.820 172.820 173.639 -0.819 18091
1551 1 4 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.793 0.367 18091
1552 1 4 . 1 1 70 70 GLY H H 588 8.230 8.230 8.834 -0.604 18091
1553 1 5 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.592 -0.362 18091
1554 1 5 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.038 0.212 18091
1555 1 5 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.828 -0.868 18091
1556 1 5 . 1 1 3 3 GLY N N 521 109.400 109.400 108.672 0.728 18091
1557 1 5 . 1 1 3 3 GLY C C 521 174.300 174.300 173.192 1.108 18091
1558 1 5 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.860 0.320 18091
1559 1 5 . 1 1 3 3 GLY H H 521 8.490 8.490 8.390 0.100 18091
1560 1 5 . 1 1 4 4 THR N N 522 112.480 112.480 111.580 0.900 18091
1561 1 5 . 1 1 4 4 THR HA H 522 4.300 4.300 4.446 -0.146 18091
1562 1 5 . 1 1 4 4 THR C C 522 174.690 174.690 174.611 0.079 18091
1563 1 5 . 1 1 4 4 THR CA C 522 61.240 61.240 61.586 -0.346 18091
1564 1 5 . 1 1 4 4 THR CB C 522 69.960 69.960 70.077 -0.117 18091
1565 1 5 . 1 1 4 4 THR H H 522 7.860 7.860 8.029 -0.169 18091
1566 1 5 . 1 1 5 5 SER N N 523 117.450 117.450 119.194 -1.744 18091
1567 1 5 . 1 1 5 5 SER HA H 523 3.890 3.890 4.505 -0.615 18091
1568 1 5 . 1 1 5 5 SER C C 523 173.320 173.320 173.282 0.038 18091
1569 1 5 . 1 1 5 5 SER CA C 523 58.460 58.460 59.187 -0.727 18091
1570 1 5 . 1 1 5 5 SER CB C 523 63.690 63.690 63.704 -0.014 18091
1571 1 5 . 1 1 5 5 SER H H 523 8.300 8.300 8.865 -0.565 18091
1572 1 5 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.984 -0.634 18091
1573 1 5 . 1 1 6 6 ASN C C 524 174.670 174.670 174.285 0.385 18091
1574 1 5 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.954 0.106 18091
1575 1 5 . 1 1 6 6 ASN CB C 524 38.710 38.710 40.639 -1.929 18091
1576 1 5 . 1 1 7 7 GLU N N 525 120.970 120.970 120.035 0.935 18091
1577 1 5 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.640 -0.300 18091
1578 1 5 . 1 1 7 7 GLU C C 525 176.900 176.900 175.979 0.921 18091
1579 1 5 . 1 1 7 7 GLU CA C 525 56.040 56.040 54.931 1.109 18091
1580 1 5 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.533 -1.463 18091
1581 1 5 . 1 1 7 7 GLU H H 525 7.970 7.970 8.385 -0.415 18091
1582 1 5 . 1 1 8 8 THR N N 526 116.960 116.960 111.711 5.249 18091
1583 1 5 . 1 1 8 8 THR HA H 526 4.540 4.540 3.998 0.542 18091
1584 1 5 . 1 1 8 8 THR C C 526 173.410 173.410 174.029 -0.619 18091
1585 1 5 . 1 1 8 8 THR CA C 526 60.080 60.080 63.102 -3.022 18091
1586 1 5 . 1 1 8 8 THR CB C 526 68.500 68.500 66.733 1.767 18091
1587 1 5 . 1 1 8 8 THR H H 526 8.630 8.630 8.485 0.145 18091
1588 1 5 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.018 0.172 18091
1589 1 5 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.239 -0.129 18091
1590 1 5 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.547 0.033 18091
1591 1 5 . 1 1 10 10 GLU N N 528 118.610 118.610 117.546 1.064 18091
1592 1 5 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.005 -0.025 18091
1593 1 5 . 1 1 10 10 GLU C C 528 178.550 178.550 178.387 0.163 18091
1594 1 5 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.339 0.241 18091
1595 1 5 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.123 -0.133 18091
1596 1 5 . 1 1 10 10 GLU H H 528 8.550 8.550 8.518 0.032 18091
1597 1 5 . 1 1 11 11 GLU N N 529 121.090 121.090 118.438 2.652 18091
1598 1 5 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.060 -0.130 18091
1599 1 5 . 1 1 11 11 GLU C C 529 179.470 179.470 178.346 1.124 18091
1600 1 5 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.452 -0.502 18091
1601 1 5 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.458 0.022 18091
1602 1 5 . 1 1 11 11 GLU H H 529 7.870 7.870 8.339 -0.469 18091
1603 1 5 . 1 1 12 12 THR N N 530 118.050 118.050 116.645 1.405 18091
1604 1 5 . 1 1 12 12 THR HA H 530 3.750 3.750 3.926 -0.176 18091
1605 1 5 . 1 1 12 12 THR C C 530 175.770 175.770 176.460 -0.690 18091
1606 1 5 . 1 1 12 12 THR CA C 530 66.320 66.320 66.688 -0.368 18091
1607 1 5 . 1 1 12 12 THR CB C 530 68.430 68.430 68.494 -0.064 18091
1608 1 5 . 1 1 12 12 THR H H 530 8.390 8.390 7.116 1.274 18091
1609 1 5 . 1 1 13 13 TYR N N 531 122.280 122.280 120.028 2.252 18091
1610 1 5 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.105 -0.285 18091
1611 1 5 . 1 1 13 13 TYR C C 531 176.420 176.420 178.323 -1.903 18091
1612 1 5 . 1 1 13 13 TYR CA C 531 61.440 61.440 60.162 1.278 18091
1613 1 5 . 1 1 13 13 TYR CB C 531 38.110 38.110 36.899 1.211 18091
1614 1 5 . 1 1 13 13 TYR H H 531 8.050 8.050 7.379 0.671 18091
1615 1 5 . 1 1 14 14 GLN N N 532 116.250 116.250 118.108 -1.858 18091
1616 1 5 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.937 -0.247 18091
1617 1 5 . 1 1 14 14 GLN C C 532 178.800 178.800 178.373 0.427 18091
1618 1 5 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.933 -0.313 18091
1619 1 5 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.446 -0.386 18091
1620 1 5 . 1 1 14 14 GLN H H 532 8.010 8.010 7.778 0.232 18091
1621 1 5 . 1 1 15 15 ARG N N 533 118.730 118.730 119.771 -1.041 18091
1622 1 5 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.015 -0.095 18091
1623 1 5 . 1 1 15 15 ARG C C 533 179.030 179.030 178.950 0.080 18091
1624 1 5 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.162 -0.022 18091
1625 1 5 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.186 -0.386 18091
1626 1 5 . 1 1 15 15 ARG H H 533 7.800 7.800 7.880 -0.080 18091
1627 1 5 . 1 1 16 16 ALA N N 534 123.500 123.500 122.473 1.027 18091
1628 1 5 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.116 -0.156 18091
1629 1 5 . 1 1 16 16 ALA C C 534 178.860 178.860 180.274 -1.414 18091
1630 1 5 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.913 -0.243 18091
1631 1 5 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.354 0.376 18091
1632 1 5 . 1 1 16 16 ALA H H 534 8.210 8.210 7.968 0.242 18091
1633 1 5 . 1 1 17 17 MET N N 535 111.910 111.910 114.932 -3.022 18091
1634 1 5 . 1 1 17 17 MET HA H 535 4.020 4.020 4.263 -0.243 18091
1635 1 5 . 1 1 17 17 MET C C 535 176.890 176.890 177.449 -0.559 18091
1636 1 5 . 1 1 17 17 MET CA C 535 55.200 55.200 56.897 -1.697 18091
1637 1 5 . 1 1 17 17 MET CB C 535 31.110 31.110 31.711 -0.601 18091
1638 1 5 . 1 1 17 17 MET H H 535 7.480 7.480 7.918 -0.438 18091
1639 1 5 . 1 1 18 18 LYS N N 536 116.840 116.840 116.942 -0.102 18091
1640 1 5 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.203 -0.213 18091
1641 1 5 . 1 1 18 18 LYS C C 536 176.690 176.690 176.613 0.077 18091
1642 1 5 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.059 -0.470 18091
1643 1 5 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.581 -0.241 18091
1644 1 5 . 1 1 18 18 LYS H H 536 7.180 7.180 7.332 -0.152 18091
1645 1 5 . 1 1 19 19 ASP N N 537 122.680 122.680 120.941 1.739 18091
1646 1 5 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.886 -0.086 18091
1647 1 5 . 1 1 19 19 ASP C C 537 174.720 174.720 175.398 -0.678 18091
1648 1 5 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.009 0.081 18091
1649 1 5 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.318 0.652 18091
1650 1 5 . 1 1 19 19 ASP H H 537 7.530 7.530 7.724 -0.194 18091
1651 1 5 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.232 -0.092 18091
1652 1 5 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.889 -0.140 18091
1653 1 5 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.120 0.000 18091
1654 1 5 . 1 1 21 21 GLU N N 539 118.590 118.590 117.921 0.669 18091
1655 1 5 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.080 -0.070 18091
1656 1 5 . 1 1 21 21 GLU C C 539 179.010 179.010 178.927 0.083 18091
1657 1 5 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.064 -0.214 18091
1658 1 5 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.333 0.007 18091
1659 1 5 . 1 1 21 21 GLU H H 539 8.200 8.200 7.939 0.261 18091
1660 1 5 . 1 1 22 22 VAL N N 540 120.690 120.690 120.326 0.364 18091
1661 1 5 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.586 -0.356 18091
1662 1 5 . 1 1 22 22 VAL C C 540 177.740 177.740 177.703 0.037 18091
1663 1 5 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.416 -0.326 18091
1664 1 5 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.526 -0.176 18091
1665 1 5 . 1 1 22 22 VAL H H 540 7.350 7.350 7.827 -0.477 18091
1666 1 5 . 1 1 23 23 ALA N N 541 121.460 121.460 122.436 -0.976 18091
1667 1 5 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.984 -0.214 18091
1668 1 5 . 1 1 23 23 ALA C C 541 179.660 179.660 179.313 0.347 18091
1669 1 5 . 1 1 23 23 ALA CA C 541 55.390 55.390 54.960 0.430 18091
1670 1 5 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.314 -0.604 18091
1671 1 5 . 1 1 23 23 ALA H H 541 8.430 8.430 7.552 0.878 18091
1672 1 5 . 1 1 24 24 ALA N N 542 117.000 117.000 120.864 -3.864 18091
1673 1 5 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.071 -0.131 18091
1674 1 5 . 1 1 24 24 ALA C C 542 180.880 180.880 179.688 1.192 18091
1675 1 5 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.587 0.113 18091
1676 1 5 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.419 -0.469 18091
1677 1 5 . 1 1 24 24 ALA H H 542 7.380 7.380 7.575 -0.195 18091
1678 1 5 . 1 1 25 25 ILE N N 543 119.750 119.750 118.727 1.023 18091
1679 1 5 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.757 -0.067 18091
1680 1 5 . 1 1 25 25 ILE C C 543 177.450 177.450 178.131 -0.681 18091
1681 1 5 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.898 0.062 18091
1682 1 5 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.181 0.099 18091
1683 1 5 . 1 1 25 25 ILE H H 543 7.380 7.380 7.428 -0.048 18091
1684 1 5 . 1 1 26 26 MET N N 544 113.830 113.830 117.063 -3.233 18091
1685 1 5 . 1 1 26 26 MET HA H 544 4.140 4.140 4.092 0.048 18091
1686 1 5 . 1 1 26 26 MET C C 544 177.680 177.680 177.858 -0.178 18091
1687 1 5 . 1 1 26 26 MET CA C 544 55.660 55.660 57.977 -2.317 18091
1688 1 5 . 1 1 26 26 MET CB C 544 30.690 30.690 32.307 -1.617 18091
1689 1 5 . 1 1 26 26 MET H H 544 7.870 7.870 7.819 0.051 18091
1690 1 5 . 1 1 27 27 GLN N N 545 115.210 115.210 117.075 -1.865 18091
1691 1 5 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.111 -0.031 18091
1692 1 5 . 1 1 27 27 GLN C C 545 175.170 175.170 175.948 -0.778 18091
1693 1 5 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.988 -1.548 18091
1694 1 5 . 1 1 27 27 GLN CB C 545 28.990 28.990 28.799 0.191 18091
1695 1 5 . 1 1 27 27 GLN H H 545 7.340 7.340 7.660 -0.320 18091
1696 1 5 . 1 1 28 28 ASP N N 546 123.270 123.270 117.252 6.018 18091
1697 1 5 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.410 0.310 18091
1698 1 5 . 1 1 28 28 ASP C C 546 175.220 175.220 174.498 0.722 18091
1699 1 5 . 1 1 28 28 ASP CA C 546 51.340 51.340 57.197 -5.857 18091
1700 1 5 . 1 1 28 28 ASP CB C 546 42.380 42.380 38.671 3.709 18091
1701 1 5 . 1 1 28 28 ASP H H 546 7.320 7.320 8.244 -0.924 18091
1702 1 5 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.180 -0.060 18091
1703 1 5 . 1 1 29 29 PRO CA C 547 64.920 64.920 65.906 -0.986 18091
1704 1 5 . 1 1 29 29 PRO CB C 547 32.260 32.260 31.692 0.567 18091
1705 1 5 . 1 1 30 30 VAL N N 548 119.870 119.870 117.628 2.242 18091
1706 1 5 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.724 -0.144 18091
1707 1 5 . 1 1 30 30 VAL C C 548 179.010 179.010 178.133 0.877 18091
1708 1 5 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.586 -0.586 18091
1709 1 5 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.048 0.062 18091
1710 1 5 . 1 1 30 30 VAL H H 548 8.000 8.000 7.980 0.020 18091
1711 1 5 . 1 1 31 31 MET N N 549 118.270 118.270 118.140 0.130 18091
1712 1 5 . 1 1 31 31 MET HA H 549 4.340 4.340 3.991 0.349 18091
1713 1 5 . 1 1 31 31 MET C C 549 178.830 178.830 178.240 0.590 18091
1714 1 5 . 1 1 31 31 MET CA C 549 55.140 55.140 59.068 -3.928 18091
1715 1 5 . 1 1 31 31 MET CB C 549 28.840 28.840 32.106 -3.266 18091
1716 1 5 . 1 1 31 31 MET H H 549 7.250 7.250 7.655 -0.405 18091
1717 1 5 . 1 1 32 32 GLN N N 550 118.190 118.190 120.073 -1.883 18091
1718 1 5 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.912 -0.172 18091
1719 1 5 . 1 1 32 32 GLN C C 550 178.840 178.840 178.222 0.618 18091
1720 1 5 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.559 -0.139 18091
1721 1 5 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.661 -1.001 18091
1722 1 5 . 1 1 32 32 GLN H H 550 8.310 8.310 7.927 0.383 18091
1723 1 5 . 1 1 33 33 SER N N 551 114.010 114.010 115.950 -1.940 18091
1724 1 5 . 1 1 33 33 SER HA H 551 4.140 4.140 4.117 0.023 18091
1725 1 5 . 1 1 33 33 SER C C 551 176.840 176.840 176.746 0.094 18091
1726 1 5 . 1 1 33 33 SER CA C 551 61.330 61.330 62.270 -0.940 18091
1727 1 5 . 1 1 33 33 SER CB C 551 62.450 62.450 63.034 -0.584 18091
1728 1 5 . 1 1 33 33 SER H H 551 7.570 7.570 7.626 -0.056 18091
1729 1 5 . 1 1 34 34 ILE N N 552 123.490 123.490 122.513 0.977 18091
1730 1 5 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.669 -0.389 18091
1731 1 5 . 1 1 34 34 ILE C C 552 177.630 177.630 178.081 -0.451 18091
1732 1 5 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.071 0.609 18091
1733 1 5 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.515 0.205 18091
1734 1 5 . 1 1 34 34 ILE H H 552 7.600 7.600 7.414 0.186 18091
1735 1 5 . 1 1 35 35 LEU N N 553 119.520 119.520 119.627 -0.107 18091
1736 1 5 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.803 -0.053 18091
1737 1 5 . 1 1 35 35 LEU C C 553 179.440 179.440 178.902 0.538 18091
1738 1 5 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.327 -0.377 18091
1739 1 5 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.226 -0.526 18091
1740 1 5 . 1 1 35 35 LEU H H 553 8.330 8.330 8.053 0.277 18091
1741 1 5 . 1 1 36 36 GLN N N 554 118.590 118.590 118.796 -0.206 18091
1742 1 5 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.067 -0.147 18091
1743 1 5 . 1 1 36 36 GLN C C 554 178.560 178.560 178.756 -0.196 18091
1744 1 5 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.930 -0.270 18091
1745 1 5 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.687 -0.627 18091
1746 1 5 . 1 1 36 36 GLN H H 554 7.800 7.800 7.893 -0.093 18091
1747 1 5 . 1 1 37 37 GLN N N 555 119.520 119.520 118.679 0.841 18091
1748 1 5 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.038 -0.108 18091
1749 1 5 . 1 1 37 37 GLN C C 555 178.400 178.400 178.674 -0.274 18091
1750 1 5 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.747 -0.217 18091
1751 1 5 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.754 0.036 18091
1752 1 5 . 1 1 37 37 GLN H H 555 7.990 7.990 7.928 0.062 18091
1753 1 5 . 1 1 38 38 ALA N N 556 120.730 120.730 120.694 0.036 18091
1754 1 5 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.289 -0.179 18091
1755 1 5 . 1 1 38 38 ALA C C 556 178.310 178.310 179.732 -1.422 18091
1756 1 5 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.601 -1.101 18091
1757 1 5 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.364 0.006 18091
1758 1 5 . 1 1 38 38 ALA H H 556 8.310 8.310 8.151 0.159 18091
1759 1 5 . 1 1 39 39 GLN N N 557 115.600 115.600 118.505 -2.905 18091
1760 1 5 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.043 -0.083 18091
1761 1 5 . 1 1 39 39 GLN C C 557 177.260 177.260 178.468 -1.208 18091
1762 1 5 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.290 -0.370 18091
1763 1 5 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.720 -0.240 18091
1764 1 5 . 1 1 39 39 GLN H H 557 7.530 7.530 7.752 -0.222 18091
1765 1 5 . 1 1 40 40 GLN N N 558 115.310 115.310 116.355 -1.045 18091
1766 1 5 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.210 -0.030 18091
1767 1 5 . 1 1 40 40 GLN C C 558 176.030 176.030 176.134 -0.104 18091
1768 1 5 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.421 -0.871 18091
1769 1 5 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.906 -0.586 18091
1770 1 5 . 1 1 40 40 GLN H H 558 7.350 7.350 7.639 -0.289 18091
1771 1 5 . 1 1 41 41 ASN N N 559 114.850 114.850 116.086 -1.236 18091
1772 1 5 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.040 -0.090 18091
1773 1 5 . 1 1 41 41 ASN C C 559 172.420 172.420 173.559 -1.139 18091
1774 1 5 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.389 -0.959 18091
1775 1 5 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.642 -1.762 18091
1776 1 5 . 1 1 41 41 ASN H H 559 7.900 7.900 7.906 -0.006 18091
1777 1 5 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.384 -0.054 18091
1778 1 5 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.918 0.082 18091
1779 1 5 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.055 -0.375 18091
1780 1 5 . 1 1 43 43 ALA N N 561 119.920 119.920 121.103 -1.183 18091
1781 1 5 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.109 0.021 18091
1782 1 5 . 1 1 43 43 ALA C C 561 179.510 179.510 179.175 0.335 18091
1783 1 5 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.574 -0.524 18091
1784 1 5 . 1 1 43 43 ALA CB C 561 18.050 18.050 17.920 0.130 18091
1785 1 5 . 1 1 43 43 ALA H H 561 7.850 7.850 7.775 0.075 18091
1786 1 5 . 1 1 44 44 ALA N N 562 120.790 120.790 120.986 -0.196 18091
1787 1 5 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.232 -0.212 18091
1788 1 5 . 1 1 44 44 ALA C C 562 179.570 179.570 179.069 0.501 18091
1789 1 5 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.718 -0.598 18091
1790 1 5 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.550 -0.350 18091
1791 1 5 . 1 1 44 44 ALA H H 562 7.980 7.980 8.023 -0.043 18091
1792 1 5 . 1 1 45 45 LEU N N 563 116.420 116.420 117.395 -0.975 18091
1793 1 5 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.405 -0.425 18091
1794 1 5 . 1 1 45 45 LEU C C 563 178.220 178.220 178.760 -0.540 18091
1795 1 5 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.429 0.211 18091
1796 1 5 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.246 0.444 18091
1797 1 5 . 1 1 45 45 LEU H H 563 7.510 7.510 7.386 0.124 18091
1798 1 5 . 1 1 46 46 GLN N N 564 115.510 115.510 119.266 -3.756 18091
1799 1 5 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.957 -0.097 18091
1800 1 5 . 1 1 46 46 GLN C C 564 178.300 178.300 178.362 -0.062 18091
1801 1 5 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.449 -0.729 18091
1802 1 5 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.315 -0.295 18091
1803 1 5 . 1 1 46 46 GLN H H 564 7.510 7.510 7.638 -0.128 18091
1804 1 5 . 1 1 47 47 GLU N N 565 117.680 117.680 118.661 -0.981 18091
1805 1 5 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.938 -0.038 18091
1806 1 5 . 1 1 47 47 GLU C C 565 179.070 179.070 179.076 -0.006 18091
1807 1 5 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.962 -0.582 18091
1808 1 5 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.954 0.036 18091
1809 1 5 . 1 1 47 47 GLU H H 565 7.440 7.440 7.913 -0.473 18091
1810 1 5 . 1 1 48 48 HIS N N 566 118.220 118.220 119.216 -0.996 18091
1811 1 5 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.298 0.082 18091
1812 1 5 . 1 1 48 48 HIS C C 566 177.280 177.280 176.739 0.541 18091
1813 1 5 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.775 0.085 18091
1814 1 5 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.730 1.710 18091
1815 1 5 . 1 1 48 48 HIS H H 566 7.420 7.420 7.589 -0.169 18091
1816 1 5 . 1 1 49 49 MET N N 567 115.200 115.200 117.416 -2.216 18091
1817 1 5 . 1 1 49 49 MET HA H 567 3.840 3.840 4.290 -0.450 18091
1818 1 5 . 1 1 49 49 MET C C 567 175.260 175.260 177.985 -2.725 18091
1819 1 5 . 1 1 49 49 MET CA C 567 57.840 57.840 58.540 -0.700 18091
1820 1 5 . 1 1 49 49 MET CB C 567 33.080 33.080 32.790 0.290 18091
1821 1 5 . 1 1 49 49 MET H H 567 7.710 7.710 7.879 -0.169 18091
1822 1 5 . 1 1 50 50 LYS N N 568 116.040 116.040 116.752 -0.712 18091
1823 1 5 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.017 -0.057 18091
1824 1 5 . 1 1 50 50 LYS C C 568 176.220 176.220 177.339 -1.119 18091
1825 1 5 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.623 -0.233 18091
1826 1 5 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.581 -0.361 18091
1827 1 5 . 1 1 50 50 LYS H H 568 7.140 7.140 7.591 -0.451 18091
1828 1 5 . 1 1 51 51 ASN N N 569 119.600 119.600 119.409 0.191 18091
1829 1 5 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.737 0.283 18091
1830 1 5 . 1 1 51 51 ASN C C 569 173.920 173.920 175.041 -1.121 18091
1831 1 5 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.905 -1.955 18091
1832 1 5 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.405 -0.405 18091
1833 1 5 . 1 1 51 51 ASN H H 569 7.480 7.480 7.877 -0.397 18091
1834 1 5 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.283 -0.023 18091
1835 1 5 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.976 -0.866 18091
1836 1 5 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.136 0.134 18091
1837 1 5 . 1 1 53 53 GLU N N 571 116.870 116.870 119.327 -2.457 18091
1838 1 5 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.161 -0.091 18091
1839 1 5 . 1 1 53 53 GLU C C 571 178.830 178.830 179.160 -0.330 18091
1840 1 5 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.642 -0.762 18091
1841 1 5 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.382 0.048 18091
1842 1 5 . 1 1 53 53 GLU H H 571 7.960 7.960 8.758 -0.798 18091
1843 1 5 . 1 1 54 54 VAL N N 572 118.290 118.290 119.479 -1.189 18091
1844 1 5 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.789 -0.129 18091
1845 1 5 . 1 1 54 54 VAL C C 572 177.620 177.620 177.845 -0.225 18091
1846 1 5 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.626 -0.526 18091
1847 1 5 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.657 0.553 18091
1848 1 5 . 1 1 54 54 VAL H H 572 7.330 7.330 7.758 -0.428 18091
1849 1 5 . 1 1 55 55 PHE N N 573 121.090 121.090 121.893 -0.803 18091
1850 1 5 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.187 -0.297 18091
1851 1 5 . 1 1 55 55 PHE C C 573 176.760 176.760 176.916 -0.156 18091
1852 1 5 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.588 0.642 18091
1853 1 5 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.935 -0.315 18091
1854 1 5 . 1 1 55 55 PHE H H 573 8.700 8.700 8.962 -0.262 18091
1855 1 5 . 1 1 56 56 LYS N N 574 116.910 116.910 118.764 -1.854 18091
1856 1 5 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.706 0.084 18091
1857 1 5 . 1 1 56 56 LYS C C 574 178.980 178.980 178.984 -0.004 18091
1858 1 5 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.602 -0.122 18091
1859 1 5 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.226 -0.026 18091
1860 1 5 . 1 1 56 56 LYS H H 574 7.800 7.800 7.858 -0.058 18091
1861 1 5 . 1 1 57 57 LYS N N 575 119.120 119.120 119.603 -0.483 18091
1862 1 5 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.007 -0.097 18091
1863 1 5 . 1 1 57 57 LYS C C 575 178.520 178.520 179.096 -0.576 18091
1864 1 5 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.498 0.452 18091
1865 1 5 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.404 0.656 18091
1866 1 5 . 1 1 57 57 LYS H H 575 7.170 7.170 7.274 -0.104 18091
1867 1 5 . 1 1 58 58 ILE N N 576 119.180 119.180 119.466 -0.286 18091
1868 1 5 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.651 -0.331 18091
1869 1 5 . 1 1 58 58 ILE C C 576 177.820 177.820 178.265 -0.445 18091
1870 1 5 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.387 0.143 18091
1871 1 5 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.027 -0.777 18091
1872 1 5 . 1 1 58 58 ILE H H 576 8.300 8.300 8.494 -0.194 18091
1873 1 5 . 1 1 59 59 GLN N N 577 118.000 118.000 118.413 -0.413 18091
1874 1 5 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.861 -0.191 18091
1875 1 5 . 1 1 59 59 GLN C C 577 179.250 179.250 178.572 0.678 18091
1876 1 5 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.071 0.049 18091
1877 1 5 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.318 -0.478 18091
1878 1 5 . 1 1 59 59 GLN H H 577 8.180 8.180 7.892 0.288 18091
1879 1 5 . 1 1 60 60 THR N N 578 118.670 118.670 117.279 1.391 18091
1880 1 5 . 1 1 60 60 THR HA H 578 3.760 3.760 3.957 -0.197 18091
1881 1 5 . 1 1 60 60 THR C C 578 176.060 176.060 176.519 -0.459 18091
1882 1 5 . 1 1 60 60 THR CA C 578 66.890 66.890 66.895 -0.005 18091
1883 1 5 . 1 1 60 60 THR CB C 578 68.030 68.030 68.352 -0.322 18091
1884 1 5 . 1 1 60 60 THR H H 578 7.780 7.780 7.811 -0.031 18091
1885 1 5 . 1 1 61 61 LEU N N 579 120.680 120.680 120.696 -0.016 18091
1886 1 5 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.005 -0.155 18091
1887 1 5 . 1 1 61 61 LEU C C 579 179.590 179.590 178.691 0.899 18091
1888 1 5 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.886 -0.236 18091
1889 1 5 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.428 -0.449 18091
1890 1 5 . 1 1 61 61 LEU H H 579 7.620 7.620 7.435 0.185 18091
1891 1 5 . 1 1 62 62 ILE N N 580 122.880 122.880 119.949 2.931 18091
1892 1 5 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.755 0.275 18091
1893 1 5 . 1 1 62 62 ILE C C 580 180.260 180.260 178.959 1.301 18091
1894 1 5 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.010 -0.280 18091
1895 1 5 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.763 0.547 18091
1896 1 5 . 1 1 62 62 ILE H H 580 8.540 8.540 7.531 1.009 18091
1897 1 5 . 1 1 63 63 ALA N N 581 124.510 124.510 122.784 1.726 18091
1898 1 5 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.059 -0.089 18091
1899 1 5 . 1 1 63 63 ALA C C 581 179.000 179.000 178.800 0.200 18091
1900 1 5 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091
1901 1 5 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.359 -0.859 18091
1902 1 5 . 1 1 63 63 ALA H H 581 8.120 8.120 8.230 -0.110 18091
1903 1 5 . 1 1 64 64 ALA N N 582 116.250 116.250 118.798 -2.548 18091
1904 1 5 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.312 -0.172 18091
1905 1 5 . 1 1 64 64 ALA C C 582 177.040 177.040 177.788 -0.748 18091
1906 1 5 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.668 0.512 18091
1907 1 5 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.866 0.994 18091
1908 1 5 . 1 1 64 64 ALA H H 582 7.470 7.470 7.513 -0.043 18091
1909 1 5 . 1 1 65 65 GLY N N 583 104.540 104.540 106.776 -2.236 18091
1910 1 5 . 1 1 65 65 GLY C C 583 174.180 174.180 174.955 -0.775 18091
1911 1 5 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.907 -1.117 18091
1912 1 5 . 1 1 65 65 GLY H H 583 7.600 7.600 7.716 -0.116 18091
1913 1 5 . 1 1 66 66 ILE N N 584 118.630 118.630 117.862 0.768 18091
1914 1 5 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.180 -0.420 18091
1915 1 5 . 1 1 66 66 ILE C C 584 175.660 175.660 175.598 0.062 18091
1916 1 5 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.382 -0.832 18091
1917 1 5 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.934 -1.324 18091
1918 1 5 . 1 1 66 66 ILE H H 584 7.590 7.590 7.849 -0.259 18091
1919 1 5 . 1 1 67 67 ILE N N 585 116.360 116.360 119.408 -3.048 18091
1920 1 5 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.348 -0.178 18091
1921 1 5 . 1 1 67 67 ILE C C 585 174.370 174.370 174.833 -0.463 18091
1922 1 5 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.183 -0.703 18091
1923 1 5 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.469 -0.840 18091
1924 1 5 . 1 1 67 67 ILE H H 585 6.490 6.490 7.390 -0.900 18091
1925 1 5 . 1 1 68 68 ARG N N 586 125.450 125.450 125.715 -0.265 18091
1926 1 5 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.623 -0.243 18091
1927 1 5 . 1 1 68 68 ARG C C 586 175.720 175.720 176.024 -0.304 18091
1928 1 5 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.720 -0.800 18091
1929 1 5 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.047 0.273 18091
1930 1 5 . 1 1 68 68 ARG H H 586 8.500 8.500 8.577 -0.077 18091
1931 1 5 . 1 1 69 69 THR N N 587 113.710 113.710 116.590 -2.880 18091
1932 1 5 . 1 1 69 69 THR HA H 587 4.300 4.300 4.497 -0.197 18091
1933 1 5 . 1 1 69 69 THR C C 587 174.760 174.760 175.659 -0.899 18091
1934 1 5 . 1 1 69 69 THR CA C 587 61.300 61.300 60.867 0.433 18091
1935 1 5 . 1 1 69 69 THR CB C 587 69.720 69.720 69.939 -0.219 18091
1936 1 5 . 1 1 69 69 THR H H 587 8.250 8.250 8.687 -0.437 18091
1937 1 5 . 1 1 70 70 GLY N N 588 110.720 110.720 111.174 -0.454 18091
1938 1 5 . 1 1 70 70 GLY C C 588 172.820 172.820 173.834 -1.014 18091
1939 1 5 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.832 0.328 18091
1940 1 5 . 1 1 70 70 GLY H H 588 8.230 8.230 8.683 -0.453 18091
1941 1 6 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.792 -0.562 18091
1942 1 6 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.855 0.395 18091
1943 1 6 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.566 -0.606 18091
1944 1 6 . 1 1 3 3 GLY N N 521 109.400 109.400 109.297 0.103 18091
1945 1 6 . 1 1 3 3 GLY C C 521 174.300 174.300 174.336 -0.036 18091
1946 1 6 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.471 0.709 18091
1947 1 6 . 1 1 3 3 GLY H H 521 8.490 8.490 8.985 -0.495 18091
1948 1 6 . 1 1 4 4 THR N N 522 112.480 112.480 111.464 1.016 18091
1949 1 6 . 1 1 4 4 THR HA H 522 4.300 4.300 4.431 -0.131 18091
1950 1 6 . 1 1 4 4 THR C C 522 174.690 174.690 174.394 0.296 18091
1951 1 6 . 1 1 4 4 THR CA C 522 61.240 61.240 61.440 -0.200 18091
1952 1 6 . 1 1 4 4 THR CB C 522 69.960 69.960 70.013 -0.053 18091
1953 1 6 . 1 1 4 4 THR H H 522 7.860 7.860 7.938 -0.078 18091
1954 1 6 . 1 1 5 5 SER N N 523 117.450 117.450 116.106 1.344 18091
1955 1 6 . 1 1 5 5 SER HA H 523 3.890 3.890 4.617 -0.727 18091
1956 1 6 . 1 1 5 5 SER C C 523 173.320 173.320 174.637 -1.317 18091
1957 1 6 . 1 1 5 5 SER CA C 523 58.460 58.460 57.619 0.841 18091
1958 1 6 . 1 1 5 5 SER CB C 523 63.690 63.690 64.144 -0.454 18091
1959 1 6 . 1 1 5 5 SER H H 523 8.300 8.300 8.362 -0.062 18091
1960 1 6 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.842 -0.492 18091
1961 1 6 . 1 1 6 6 ASN C C 524 174.670 174.670 174.292 0.378 18091
1962 1 6 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.134 -0.074 18091
1963 1 6 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.568 0.142 18091
1964 1 6 . 1 1 7 7 GLU N N 525 120.970 120.970 120.027 0.943 18091
1965 1 6 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.561 -0.221 18091
1966 1 6 . 1 1 7 7 GLU C C 525 176.900 176.900 175.187 1.713 18091
1967 1 6 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.451 -0.411 18091
1968 1 6 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.185 -1.115 18091
1969 1 6 . 1 1 7 7 GLU H H 525 7.970 7.970 7.886 0.084 18091
1970 1 6 . 1 1 8 8 THR N N 526 116.960 116.960 114.712 2.248 18091
1971 1 6 . 1 1 8 8 THR HA H 526 4.540 4.540 4.785 -0.245 18091
1972 1 6 . 1 1 8 8 THR C C 526 173.410 173.410 173.475 -0.065 18091
1973 1 6 . 1 1 8 8 THR CA C 526 60.080 60.080 59.053 1.027 18091
1974 1 6 . 1 1 8 8 THR CB C 526 68.500 68.500 69.021 -0.521 18091
1975 1 6 . 1 1 8 8 THR H H 526 8.630 8.630 8.112 0.518 18091
1976 1 6 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.324 -0.134 18091
1977 1 6 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.468 0.642 18091
1978 1 6 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.066 -0.486 18091
1979 1 6 . 1 1 10 10 GLU N N 528 118.610 118.610 117.455 1.155 18091
1980 1 6 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.926 0.054 18091
1981 1 6 . 1 1 10 10 GLU C C 528 178.550 178.550 178.544 0.006 18091
1982 1 6 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.541 0.039 18091
1983 1 6 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.247 -0.257 18091
1984 1 6 . 1 1 10 10 GLU H H 528 8.550 8.550 8.877 -0.327 18091
1985 1 6 . 1 1 11 11 GLU N N 529 121.090 121.090 119.007 2.083 18091
1986 1 6 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.099 -0.169 18091
1987 1 6 . 1 1 11 11 GLU C C 529 179.470 179.470 178.905 0.565 18091
1988 1 6 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.364 -0.414 18091
1989 1 6 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.574 -0.094 18091
1990 1 6 . 1 1 11 11 GLU H H 529 7.870 7.870 7.720 0.150 18091
1991 1 6 . 1 1 12 12 THR N N 530 118.050 118.050 116.805 1.245 18091
1992 1 6 . 1 1 12 12 THR HA H 530 3.750 3.750 4.050 -0.300 18091
1993 1 6 . 1 1 12 12 THR C C 530 175.770 175.770 176.669 -0.899 18091
1994 1 6 . 1 1 12 12 THR CA C 530 66.320 66.320 67.511 -1.191 18091
1995 1 6 . 1 1 12 12 THR CB C 530 68.430 68.430 68.823 -0.394 18091
1996 1 6 . 1 1 12 12 THR H H 530 8.390 8.390 7.467 0.923 18091
1997 1 6 . 1 1 13 13 TYR N N 531 122.280 122.280 120.950 1.330 18091
1998 1 6 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.091 -0.271 18091
1999 1 6 . 1 1 13 13 TYR C C 531 176.420 176.420 178.228 -1.808 18091
2000 1 6 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.818 -0.378 18091
2001 1 6 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.505 0.605 18091
2002 1 6 . 1 1 13 13 TYR H H 531 8.050 8.050 8.064 -0.014 18091
2003 1 6 . 1 1 14 14 GLN N N 532 116.250 116.250 118.115 -1.865 18091
2004 1 6 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.920 -0.230 18091
2005 1 6 . 1 1 14 14 GLN C C 532 178.800 178.800 178.367 0.433 18091
2006 1 6 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.026 -0.407 18091
2007 1 6 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.469 -0.409 18091
2008 1 6 . 1 1 14 14 GLN H H 532 8.010 8.010 7.927 0.083 18091
2009 1 6 . 1 1 15 15 ARG N N 533 118.730 118.730 119.807 -1.077 18091
2010 1 6 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.011 -0.091 18091
2011 1 6 . 1 1 15 15 ARG C C 533 179.030 179.030 178.906 0.124 18091
2012 1 6 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.146 -0.006 18091
2013 1 6 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.221 -0.421 18091
2014 1 6 . 1 1 15 15 ARG H H 533 7.800 7.800 7.906 -0.106 18091
2015 1 6 . 1 1 16 16 ALA N N 534 123.500 123.500 121.688 1.812 18091
2016 1 6 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.985 -0.025 18091
2017 1 6 . 1 1 16 16 ALA C C 534 178.860 178.860 179.767 -0.907 18091
2018 1 6 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.882 -0.212 18091
2019 1 6 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.394 0.336 18091
2020 1 6 . 1 1 16 16 ALA H H 534 8.210 8.210 7.896 0.314 18091
2021 1 6 . 1 1 17 17 MET N N 535 111.910 111.910 115.219 -3.309 18091
2022 1 6 . 1 1 17 17 MET HA H 535 4.020 4.020 4.179 -0.159 18091
2023 1 6 . 1 1 17 17 MET C C 535 176.890 176.890 177.499 -0.609 18091
2024 1 6 . 1 1 17 17 MET CA C 535 55.200 55.200 57.340 -2.140 18091
2025 1 6 . 1 1 17 17 MET CB C 535 31.110 31.110 31.797 -0.686 18091
2026 1 6 . 1 1 17 17 MET H H 535 7.480 7.480 7.957 -0.477 18091
2027 1 6 . 1 1 18 18 LYS N N 536 116.840 116.840 116.714 0.126 18091
2028 1 6 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.169 -0.179 18091
2029 1 6 . 1 1 18 18 LYS C C 536 176.690 176.690 176.631 0.059 18091
2030 1 6 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.075 -0.485 18091
2031 1 6 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.520 -0.180 18091
2032 1 6 . 1 1 18 18 LYS H H 536 7.180 7.180 7.271 -0.091 18091
2033 1 6 . 1 1 19 19 ASP N N 537 122.680 122.680 120.899 1.781 18091
2034 1 6 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.853 -0.053 18091
2035 1 6 . 1 1 19 19 ASP C C 537 174.720 174.720 175.420 -0.700 18091
2036 1 6 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.998 0.092 18091
2037 1 6 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.265 0.705 18091
2038 1 6 . 1 1 19 19 ASP H H 537 7.530 7.530 7.598 -0.068 18091
2039 1 6 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.246 -0.106 18091
2040 1 6 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.698 0.052 18091
2041 1 6 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.123 -0.003 18091
2042 1 6 . 1 1 21 21 GLU N N 539 118.590 118.590 117.905 0.685 18091
2043 1 6 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.036 -0.026 18091
2044 1 6 . 1 1 21 21 GLU C C 539 179.010 179.010 178.934 0.076 18091
2045 1 6 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.097 -0.247 18091
2046 1 6 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.175 0.165 18091
2047 1 6 . 1 1 21 21 GLU H H 539 8.200 8.200 7.842 0.358 18091
2048 1 6 . 1 1 22 22 VAL N N 540 120.690 120.690 120.487 0.203 18091
2049 1 6 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.550 -0.320 18091
2050 1 6 . 1 1 22 22 VAL C C 540 177.740 177.740 177.596 0.144 18091
2051 1 6 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.904 -0.814 18091
2052 1 6 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.458 -0.108 18091
2053 1 6 . 1 1 22 22 VAL H H 540 7.350 7.350 7.693 -0.343 18091
2054 1 6 . 1 1 23 23 ALA N N 541 121.460 121.460 121.751 -0.291 18091
2055 1 6 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.917 -0.147 18091
2056 1 6 . 1 1 23 23 ALA C C 541 179.660 179.660 179.094 0.566 18091
2057 1 6 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.175 0.215 18091
2058 1 6 . 1 1 23 23 ALA CB C 541 17.710 17.710 17.970 -0.260 18091
2059 1 6 . 1 1 23 23 ALA H H 541 8.430 8.430 7.432 0.998 18091
2060 1 6 . 1 1 24 24 ALA N N 542 117.000 117.000 120.847 -3.847 18091
2061 1 6 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.141 -0.201 18091
2062 1 6 . 1 1 24 24 ALA C C 542 180.880 180.880 178.950 1.930 18091
2063 1 6 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.391 0.309 18091
2064 1 6 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.761 -0.811 18091
2065 1 6 . 1 1 24 24 ALA H H 542 7.380 7.380 7.505 -0.125 18091
2066 1 6 . 1 1 25 25 ILE N N 543 119.750 119.750 117.947 1.803 18091
2067 1 6 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.782 -0.092 18091
2068 1 6 . 1 1 25 25 ILE C C 543 177.450 177.450 177.214 0.236 18091
2069 1 6 . 1 1 25 25 ILE CA C 543 64.960 64.960 63.823 1.137 18091
2070 1 6 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.139 0.141 18091
2071 1 6 . 1 1 25 25 ILE H H 543 7.380 7.380 7.392 -0.012 18091
2072 1 6 . 1 1 26 26 MET N N 544 113.830 113.830 115.420 -1.590 18091
2073 1 6 . 1 1 26 26 MET HA H 544 4.140 4.140 4.099 0.041 18091
2074 1 6 . 1 1 26 26 MET C C 544 177.680 177.680 177.007 0.673 18091
2075 1 6 . 1 1 26 26 MET CA C 544 55.660 55.660 58.080 -2.420 18091
2076 1 6 . 1 1 26 26 MET CB C 544 30.690 30.690 32.961 -2.271 18091
2077 1 6 . 1 1 26 26 MET H H 544 7.870 7.870 7.661 0.209 18091
2078 1 6 . 1 1 27 27 GLN N N 545 115.210 115.210 116.401 -1.191 18091
2079 1 6 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.297 -0.217 18091
2080 1 6 . 1 1 27 27 GLN C C 545 175.170 175.170 174.984 0.186 18091
2081 1 6 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.976 -0.536 18091
2082 1 6 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.617 -0.627 18091
2083 1 6 . 1 1 27 27 GLN H H 545 7.340 7.340 7.420 -0.080 18091
2084 1 6 . 1 1 28 28 ASP N N 546 123.270 123.270 117.919 5.351 18091
2085 1 6 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.521 0.199 18091
2086 1 6 . 1 1 28 28 ASP C C 546 175.220 175.220 175.537 -0.317 18091
2087 1 6 . 1 1 28 28 ASP CA C 546 51.340 51.340 54.050 -2.710 18091
2088 1 6 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.202 1.178 18091
2089 1 6 . 1 1 28 28 ASP H H 546 7.320 7.320 8.445 -1.125 18091
2090 1 6 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.299 -0.179 18091
2091 1 6 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.104 0.816 18091
2092 1 6 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.395 -0.135 18091
2093 1 6 . 1 1 30 30 VAL N N 548 119.870 119.870 119.077 0.793 18091
2094 1 6 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.679 -0.099 18091
2095 1 6 . 1 1 30 30 VAL C C 548 179.010 179.010 177.603 1.407 18091
2096 1 6 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.674 -0.674 18091
2097 1 6 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.188 -0.078 18091
2098 1 6 . 1 1 30 30 VAL H H 548 8.000 8.000 7.832 0.168 18091
2099 1 6 . 1 1 31 31 MET N N 549 118.270 118.270 116.943 1.327 18091
2100 1 6 . 1 1 31 31 MET HA H 549 4.340 4.340 3.981 0.359 18091
2101 1 6 . 1 1 31 31 MET C C 549 178.830 178.830 178.258 0.572 18091
2102 1 6 . 1 1 31 31 MET CA C 549 55.140 55.140 59.266 -4.126 18091
2103 1 6 . 1 1 31 31 MET CB C 549 28.840 28.840 32.144 -3.304 18091
2104 1 6 . 1 1 31 31 MET H H 549 7.250 7.250 7.784 -0.534 18091
2105 1 6 . 1 1 32 32 GLN N N 550 118.190 118.190 119.787 -1.597 18091
2106 1 6 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.949 -0.209 18091
2107 1 6 . 1 1 32 32 GLN C C 550 178.840 178.840 178.394 0.446 18091
2108 1 6 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.300 0.120 18091
2109 1 6 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.357 -0.697 18091
2110 1 6 . 1 1 32 32 GLN H H 550 8.310 8.310 8.047 0.263 18091
2111 1 6 . 1 1 33 33 SER N N 551 114.010 114.010 115.704 -1.694 18091
2112 1 6 . 1 1 33 33 SER HA H 551 4.140 4.140 4.330 -0.190 18091
2113 1 6 . 1 1 33 33 SER C C 551 176.840 176.840 176.842 -0.002 18091
2114 1 6 . 1 1 33 33 SER CA C 551 61.330 61.330 61.687 -0.357 18091
2115 1 6 . 1 1 33 33 SER CB C 551 62.450 62.450 63.174 -0.724 18091
2116 1 6 . 1 1 33 33 SER H H 551 7.570 7.570 7.592 -0.022 18091
2117 1 6 . 1 1 34 34 ILE N N 552 123.490 123.490 122.768 0.722 18091
2118 1 6 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.575 -0.295 18091
2119 1 6 . 1 1 34 34 ILE C C 552 177.630 177.630 178.134 -0.504 18091
2120 1 6 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.057 0.623 18091
2121 1 6 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.509 0.211 18091
2122 1 6 . 1 1 34 34 ILE H H 552 7.600 7.600 7.656 -0.056 18091
2123 1 6 . 1 1 35 35 LEU N N 553 119.520 119.520 119.504 0.016 18091
2124 1 6 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.789 -0.039 18091
2125 1 6 . 1 1 35 35 LEU C C 553 179.440 179.440 179.238 0.202 18091
2126 1 6 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.076 -0.126 18091
2127 1 6 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.248 -0.548 18091
2128 1 6 . 1 1 35 35 LEU H H 553 8.330 8.330 7.737 0.593 18091
2129 1 6 . 1 1 36 36 GLN N N 554 118.590 118.590 117.739 0.851 18091
2130 1 6 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.880 0.041 18091
2131 1 6 . 1 1 36 36 GLN C C 554 178.560 178.560 178.799 -0.239 18091
2132 1 6 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.173 -0.513 18091
2133 1 6 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.439 -0.379 18091
2134 1 6 . 1 1 36 36 GLN H H 554 7.800 7.800 7.806 -0.006 18091
2135 1 6 . 1 1 37 37 GLN N N 555 119.520 119.520 119.100 0.420 18091
2136 1 6 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.212 -0.282 18091
2137 1 6 . 1 1 37 37 GLN C C 555 178.400 178.400 178.619 -0.219 18091
2138 1 6 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.712 -0.182 18091
2139 1 6 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.710 0.080 18091
2140 1 6 . 1 1 37 37 GLN H H 555 7.990 7.990 8.044 -0.054 18091
2141 1 6 . 1 1 38 38 ALA N N 556 120.730 120.730 120.999 -0.269 18091
2142 1 6 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.382 -0.272 18091
2143 1 6 . 1 1 38 38 ALA C C 556 178.310 178.310 179.586 -1.276 18091
2144 1 6 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.570 -1.070 18091
2145 1 6 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.355 0.015 18091
2146 1 6 . 1 1 38 38 ALA H H 556 8.310 8.310 8.210 0.100 18091
2147 1 6 . 1 1 39 39 GLN N N 557 115.600 115.600 117.860 -2.260 18091
2148 1 6 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.072 -0.112 18091
2149 1 6 . 1 1 39 39 GLN C C 557 177.260 177.260 178.567 -1.307 18091
2150 1 6 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.184 -0.264 18091
2151 1 6 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.485 -0.005 18091
2152 1 6 . 1 1 39 39 GLN H H 557 7.530 7.530 7.759 -0.229 18091
2153 1 6 . 1 1 40 40 GLN N N 558 115.310 115.310 117.359 -2.049 18091
2154 1 6 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.143 0.037 18091
2155 1 6 . 1 1 40 40 GLN C C 558 176.030 176.030 176.476 -0.446 18091
2156 1 6 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.606 -1.056 18091
2157 1 6 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.794 -0.474 18091
2158 1 6 . 1 1 40 40 GLN H H 558 7.350 7.350 7.626 -0.276 18091
2159 1 6 . 1 1 41 41 ASN N N 559 114.850 114.850 115.050 -0.200 18091
2160 1 6 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.084 -0.134 18091
2161 1 6 . 1 1 41 41 ASN C C 559 172.420 172.420 173.269 -0.849 18091
2162 1 6 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.592 -1.162 18091
2163 1 6 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.114 -2.234 18091
2164 1 6 . 1 1 41 41 ASN H H 559 7.900 7.900 8.056 -0.156 18091
2165 1 6 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.585 -0.255 18091
2166 1 6 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.784 0.215 18091
2167 1 6 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.276 -0.596 18091
2168 1 6 . 1 1 43 43 ALA N N 561 119.920 119.920 120.622 -0.702 18091
2169 1 6 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.159 -0.029 18091
2170 1 6 . 1 1 43 43 ALA C C 561 179.510 179.510 178.613 0.897 18091
2171 1 6 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.088 -0.038 18091
2172 1 6 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.376 -0.326 18091
2173 1 6 . 1 1 43 43 ALA H H 561 7.850 7.850 7.647 0.203 18091
2174 1 6 . 1 1 44 44 ALA N N 562 120.790 120.790 121.488 -0.698 18091
2175 1 6 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.143 -0.123 18091
2176 1 6 . 1 1 44 44 ALA C C 562 179.570 179.570 179.943 -0.373 18091
2177 1 6 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.282 -1.162 18091
2178 1 6 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.419 -0.219 18091
2179 1 6 . 1 1 44 44 ALA H H 562 7.980 7.980 7.808 0.172 18091
2180 1 6 . 1 1 45 45 LEU N N 563 116.420 116.420 117.321 -0.901 18091
2181 1 6 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.332 -0.352 18091
2182 1 6 . 1 1 45 45 LEU C C 563 178.220 178.220 178.597 -0.377 18091
2183 1 6 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.733 0.907 18091
2184 1 6 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.443 1.247 18091
2185 1 6 . 1 1 45 45 LEU H H 563 7.510 7.510 7.808 -0.298 18091
2186 1 6 . 1 1 46 46 GLN N N 564 115.510 115.510 120.654 -5.144 18091
2187 1 6 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.939 -0.079 18091
2188 1 6 . 1 1 46 46 GLN C C 564 178.300 178.300 178.067 0.233 18091
2189 1 6 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.347 -0.627 18091
2190 1 6 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.731 -0.711 18091
2191 1 6 . 1 1 46 46 GLN H H 564 7.510 7.510 8.045 -0.535 18091
2192 1 6 . 1 1 47 47 GLU N N 565 117.680 117.680 117.639 0.041 18091
2193 1 6 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.956 -0.056 18091
2194 1 6 . 1 1 47 47 GLU C C 565 179.070 179.070 179.196 -0.126 18091
2195 1 6 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.949 -0.569 18091
2196 1 6 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.035 -0.045 18091
2197 1 6 . 1 1 47 47 GLU H H 565 7.440 7.440 7.819 -0.379 18091
2198 1 6 . 1 1 48 48 HIS N N 566 118.220 118.220 119.680 -1.460 18091
2199 1 6 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.356 0.024 18091
2200 1 6 . 1 1 48 48 HIS C C 566 177.280 177.280 178.069 -0.789 18091
2201 1 6 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.284 -0.424 18091
2202 1 6 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.861 1.579 18091
2203 1 6 . 1 1 48 48 HIS H H 566 7.420 7.420 7.540 -0.120 18091
2204 1 6 . 1 1 49 49 MET N N 567 115.200 115.200 119.102 -3.902 18091
2205 1 6 . 1 1 49 49 MET HA H 567 3.840 3.840 4.298 -0.458 18091
2206 1 6 . 1 1 49 49 MET C C 567 175.260 175.260 177.505 -2.245 18091
2207 1 6 . 1 1 49 49 MET CA C 567 57.840 57.840 58.816 -0.976 18091
2208 1 6 . 1 1 49 49 MET CB C 567 33.080 33.080 32.648 0.432 18091
2209 1 6 . 1 1 49 49 MET H H 567 7.710 7.710 8.005 -0.295 18091
2210 1 6 . 1 1 50 50 LYS N N 568 116.040 116.040 116.036 0.004 18091
2211 1 6 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.051 -0.091 18091
2212 1 6 . 1 1 50 50 LYS C C 568 176.220 176.220 176.970 -0.750 18091
2213 1 6 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.561 -0.171 18091
2214 1 6 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.354 -0.134 18091
2215 1 6 . 1 1 50 50 LYS H H 568 7.140 7.140 7.599 -0.459 18091
2216 1 6 . 1 1 51 51 ASN N N 569 119.600 119.600 118.350 1.250 18091
2217 1 6 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.800 0.220 18091
2218 1 6 . 1 1 51 51 ASN C C 569 173.920 173.920 175.041 -1.121 18091
2219 1 6 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.439 -1.489 18091
2220 1 6 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.540 -0.540 18091
2221 1 6 . 1 1 51 51 ASN H H 569 7.480 7.480 7.519 -0.039 18091
2222 1 6 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.280 -0.020 18091
2223 1 6 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.769 -0.659 18091
2224 1 6 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.103 0.167 18091
2225 1 6 . 1 1 53 53 GLU N N 571 116.870 116.870 119.355 -2.485 18091
2226 1 6 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.160 -0.090 18091
2227 1 6 . 1 1 53 53 GLU C C 571 178.830 178.830 179.093 -0.263 18091
2228 1 6 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.642 -0.762 18091
2229 1 6 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.359 0.071 18091
2230 1 6 . 1 1 53 53 GLU H H 571 7.960 7.960 8.750 -0.790 18091
2231 1 6 . 1 1 54 54 VAL N N 572 118.290 118.290 119.606 -1.316 18091
2232 1 6 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.777 -0.117 18091
2233 1 6 . 1 1 54 54 VAL C C 572 177.620 177.620 177.781 -0.161 18091
2234 1 6 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.775 -0.675 18091
2235 1 6 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.682 0.528 18091
2236 1 6 . 1 1 54 54 VAL H H 572 7.330 7.330 7.848 -0.518 18091
2237 1 6 . 1 1 55 55 PHE N N 573 121.090 121.090 121.764 -0.674 18091
2238 1 6 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.130 -0.240 18091
2239 1 6 . 1 1 55 55 PHE C C 573 176.760 176.760 176.992 -0.232 18091
2240 1 6 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.927 0.303 18091
2241 1 6 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.939 -0.319 18091
2242 1 6 . 1 1 55 55 PHE H H 573 8.700 8.700 8.716 -0.016 18091
2243 1 6 . 1 1 56 56 LYS N N 574 116.910 116.910 118.327 -1.417 18091
2244 1 6 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.732 0.058 18091
2245 1 6 . 1 1 56 56 LYS C C 574 178.980 178.980 179.030 -0.050 18091
2246 1 6 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.773 -0.293 18091
2247 1 6 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.201 -0.001 18091
2248 1 6 . 1 1 56 56 LYS H H 574 7.800 7.800 7.905 -0.105 18091
2249 1 6 . 1 1 57 57 LYS N N 575 119.120 119.120 119.643 -0.523 18091
2250 1 6 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.990 -0.080 18091
2251 1 6 . 1 1 57 57 LYS C C 575 178.520 178.520 179.042 -0.522 18091
2252 1 6 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.508 0.442 18091
2253 1 6 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.385 0.675 18091
2254 1 6 . 1 1 57 57 LYS H H 575 7.170 7.170 7.276 -0.106 18091
2255 1 6 . 1 1 58 58 ILE N N 576 119.180 119.180 119.070 0.110 18091
2256 1 6 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.715 -0.395 18091
2257 1 6 . 1 1 58 58 ILE C C 576 177.820 177.820 178.189 -0.369 18091
2258 1 6 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.902 0.628 18091
2259 1 6 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.879 -0.629 18091
2260 1 6 . 1 1 58 58 ILE H H 576 8.300 8.300 8.410 -0.110 18091
2261 1 6 . 1 1 59 59 GLN N N 577 118.000 118.000 118.679 -0.679 18091
2262 1 6 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.767 -0.097 18091
2263 1 6 . 1 1 59 59 GLN C C 577 179.250 179.250 178.356 0.894 18091
2264 1 6 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.362 -0.242 18091
2265 1 6 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.273 -0.433 18091
2266 1 6 . 1 1 59 59 GLN H H 577 8.180 8.180 7.792 0.388 18091
2267 1 6 . 1 1 60 60 THR N N 578 118.670 118.670 116.843 1.827 18091
2268 1 6 . 1 1 60 60 THR HA H 578 3.760 3.760 3.939 -0.179 18091
2269 1 6 . 1 1 60 60 THR C C 578 176.060 176.060 176.480 -0.420 18091
2270 1 6 . 1 1 60 60 THR CA C 578 66.890 66.890 66.680 0.210 18091
2271 1 6 . 1 1 60 60 THR CB C 578 68.030 68.030 68.264 -0.234 18091
2272 1 6 . 1 1 60 60 THR H H 578 7.780 7.780 7.617 0.163 18091
2273 1 6 . 1 1 61 61 LEU N N 579 120.680 120.680 120.536 0.144 18091
2274 1 6 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.963 -0.113 18091
2275 1 6 . 1 1 61 61 LEU C C 579 179.590 179.590 178.620 0.970 18091
2276 1 6 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.664 -0.014 18091
2277 1 6 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.323 -0.343 18091
2278 1 6 . 1 1 61 61 LEU H H 579 7.620 7.620 7.295 0.325 18091
2279 1 6 . 1 1 62 62 ILE N N 580 122.880 122.880 120.583 2.297 18091
2280 1 6 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.864 0.166 18091
2281 1 6 . 1 1 62 62 ILE C C 580 180.260 180.260 179.070 1.190 18091
2282 1 6 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.956 -0.226 18091
2283 1 6 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.709 0.601 18091
2284 1 6 . 1 1 62 62 ILE H H 580 8.540 8.540 7.567 0.973 18091
2285 1 6 . 1 1 63 63 ALA N N 581 124.510 124.510 122.974 1.536 18091
2286 1 6 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.013 -0.043 18091
2287 1 6 . 1 1 63 63 ALA C C 581 179.000 179.000 178.385 0.615 18091
2288 1 6 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.704 0.136 18091
2289 1 6 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.162 -0.662 18091
2290 1 6 . 1 1 63 63 ALA H H 581 8.120 8.120 8.032 0.088 18091
2291 1 6 . 1 1 64 64 ALA N N 582 116.250 116.250 117.780 -1.530 18091
2292 1 6 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.230 -0.090 18091
2293 1 6 . 1 1 64 64 ALA C C 582 177.040 177.040 177.692 -0.652 18091
2294 1 6 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.015 0.165 18091
2295 1 6 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.125 0.736 18091
2296 1 6 . 1 1 64 64 ALA H H 582 7.470 7.470 7.381 0.089 18091
2297 1 6 . 1 1 65 65 GLY N N 583 104.540 104.540 106.160 -1.620 18091
2298 1 6 . 1 1 65 65 GLY C C 583 174.180 174.180 175.713 -1.533 18091
2299 1 6 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.963 -1.173 18091
2300 1 6 . 1 1 65 65 GLY H H 583 7.600 7.600 7.778 -0.178 18091
2301 1 6 . 1 1 66 66 ILE N N 584 118.630 118.630 118.955 -0.325 18091
2302 1 6 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.738 0.022 18091
2303 1 6 . 1 1 66 66 ILE C C 584 175.660 175.660 175.497 0.163 18091
2304 1 6 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.749 -1.199 18091
2305 1 6 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.340 -0.730 18091
2306 1 6 . 1 1 66 66 ILE H H 584 7.590 7.590 7.710 -0.120 18091
2307 1 6 . 1 1 67 67 ILE N N 585 116.360 116.360 118.856 -2.496 18091
2308 1 6 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.268 -0.098 18091
2309 1 6 . 1 1 67 67 ILE C C 585 174.370 174.370 174.663 -0.293 18091
2310 1 6 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.062 -0.582 18091
2311 1 6 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.764 -1.133 18091
2312 1 6 . 1 1 67 67 ILE H H 585 6.490 6.490 7.253 -0.763 18091
2313 1 6 . 1 1 68 68 ARG N N 586 125.450 125.450 126.121 -0.671 18091
2314 1 6 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.690 -0.310 18091
2315 1 6 . 1 1 68 68 ARG C C 586 175.720 175.720 175.842 -0.122 18091
2316 1 6 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.461 -0.541 18091
2317 1 6 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.171 1.149 18091
2318 1 6 . 1 1 68 68 ARG H H 586 8.500 8.500 8.569 -0.069 18091
2319 1 6 . 1 1 69 69 THR N N 587 113.710 113.710 115.191 -1.481 18091
2320 1 6 . 1 1 69 69 THR HA H 587 4.300 4.300 4.630 -0.330 18091
2321 1 6 . 1 1 69 69 THR C C 587 174.760 174.760 174.579 0.181 18091
2322 1 6 . 1 1 69 69 THR CA C 587 61.300 61.300 61.310 -0.010 18091
2323 1 6 . 1 1 69 69 THR CB C 587 69.720 69.720 70.877 -1.157 18091
2324 1 6 . 1 1 69 69 THR H H 587 8.250 8.250 8.348 -0.098 18091
2325 1 6 . 1 1 70 70 GLY N N 588 110.720 110.720 110.512 0.208 18091
2326 1 6 . 1 1 70 70 GLY C C 588 172.820 172.820 174.362 -1.542 18091
2327 1 6 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.458 0.702 18091
2328 1 6 . 1 1 70 70 GLY H H 588 8.230 8.230 8.477 -0.247 18091
2329 1 7 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.490 -0.260 18091
2330 1 7 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.175 0.075 18091
2331 1 7 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.530 -0.570 18091
2332 1 7 . 1 1 3 3 GLY N N 521 109.400 109.400 109.343 0.057 18091
2333 1 7 . 1 1 3 3 GLY C C 521 174.300 174.300 173.821 0.479 18091
2334 1 7 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.388 0.792 18091
2335 1 7 . 1 1 3 3 GLY H H 521 8.490 8.490 8.059 0.431 18091
2336 1 7 . 1 1 4 4 THR N N 522 112.480 112.480 112.613 -0.133 18091
2337 1 7 . 1 1 4 4 THR HA H 522 4.300 4.300 4.668 -0.368 18091
2338 1 7 . 1 1 4 4 THR C C 522 174.690 174.690 173.907 0.783 18091
2339 1 7 . 1 1 4 4 THR CA C 522 61.240 61.240 61.638 -0.398 18091
2340 1 7 . 1 1 4 4 THR CB C 522 69.960 69.960 69.547 0.413 18091
2341 1 7 . 1 1 4 4 THR H H 522 7.860 7.860 8.056 -0.196 18091
2342 1 7 . 1 1 5 5 SER N N 523 117.450 117.450 117.638 -0.188 18091
2343 1 7 . 1 1 5 5 SER HA H 523 3.890 3.890 4.577 -0.687 18091
2344 1 7 . 1 1 5 5 SER C C 523 173.320 173.320 173.032 0.288 18091
2345 1 7 . 1 1 5 5 SER CA C 523 58.460 58.460 57.350 1.110 18091
2346 1 7 . 1 1 5 5 SER CB C 523 63.690 63.690 65.169 -1.480 18091
2347 1 7 . 1 1 5 5 SER H H 523 8.300 8.300 8.328 -0.028 18091
2348 1 7 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.873 -0.523 18091
2349 1 7 . 1 1 6 6 ASN C C 524 174.670 174.670 174.027 0.643 18091
2350 1 7 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.964 0.096 18091
2351 1 7 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.143 -0.433 18091
2352 1 7 . 1 1 7 7 GLU N N 525 120.970 120.970 120.273 0.697 18091
2353 1 7 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.377 -0.037 18091
2354 1 7 . 1 1 7 7 GLU C C 525 176.900 176.900 174.810 2.090 18091
2355 1 7 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.152 -0.112 18091
2356 1 7 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.934 -0.864 18091
2357 1 7 . 1 1 7 7 GLU H H 525 7.970 7.970 8.127 -0.157 18091
2358 1 7 . 1 1 8 8 THR N N 526 116.960 116.960 111.626 5.334 18091
2359 1 7 . 1 1 8 8 THR HA H 526 4.540 4.540 4.127 0.413 18091
2360 1 7 . 1 1 8 8 THR C C 526 173.410 173.410 173.694 -0.284 18091
2361 1 7 . 1 1 8 8 THR CA C 526 60.080 60.080 62.044 -1.964 18091
2362 1 7 . 1 1 8 8 THR CB C 526 68.500 68.500 67.618 0.882 18091
2363 1 7 . 1 1 8 8 THR H H 526 8.630 8.630 8.495 0.135 18091
2364 1 7 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.070 0.120 18091
2365 1 7 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.098 1.012 18091
2366 1 7 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.963 -0.383 18091
2367 1 7 . 1 1 10 10 GLU N N 528 118.610 118.610 118.769 -0.159 18091
2368 1 7 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.254 -0.274 18091
2369 1 7 . 1 1 10 10 GLU C C 528 178.550 178.550 178.699 -0.149 18091
2370 1 7 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.670 -0.090 18091
2371 1 7 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.475 -0.485 18091
2372 1 7 . 1 1 10 10 GLU H H 528 8.550 8.550 8.738 -0.188 18091
2373 1 7 . 1 1 11 11 GLU N N 529 121.090 121.090 117.581 3.509 18091
2374 1 7 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.073 -0.143 18091
2375 1 7 . 1 1 11 11 GLU C C 529 179.470 179.470 178.604 0.866 18091
2376 1 7 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.578 -0.628 18091
2377 1 7 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.342 0.138 18091
2378 1 7 . 1 1 11 11 GLU H H 529 7.870 7.870 8.562 -0.692 18091
2379 1 7 . 1 1 12 12 THR N N 530 118.050 118.050 116.950 1.100 18091
2380 1 7 . 1 1 12 12 THR HA H 530 3.750 3.750 3.886 -0.136 18091
2381 1 7 . 1 1 12 12 THR C C 530 175.770 175.770 176.540 -0.770 18091
2382 1 7 . 1 1 12 12 THR CA C 530 66.320 66.320 66.856 -0.536 18091
2383 1 7 . 1 1 12 12 THR CB C 530 68.430 68.430 68.601 -0.171 18091
2384 1 7 . 1 1 12 12 THR H H 530 8.390 8.390 7.412 0.978 18091
2385 1 7 . 1 1 13 13 TYR N N 531 122.280 122.280 119.912 2.368 18091
2386 1 7 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.088 -0.268 18091
2387 1 7 . 1 1 13 13 TYR C C 531 176.420 176.420 178.414 -1.994 18091
2388 1 7 . 1 1 13 13 TYR CA C 531 61.440 61.440 60.648 0.792 18091
2389 1 7 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.026 1.084 18091
2390 1 7 . 1 1 13 13 TYR H H 531 8.050 8.050 7.287 0.762 18091
2391 1 7 . 1 1 14 14 GLN N N 532 116.250 116.250 117.784 -1.534 18091
2392 1 7 . 1 1 14 14 GLN HA H 532 3.690 3.690 4.002 -0.312 18091
2393 1 7 . 1 1 14 14 GLN C C 532 178.800 178.800 178.765 0.035 18091
2394 1 7 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.865 -0.245 18091
2395 1 7 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.148 -0.088 18091
2396 1 7 . 1 1 14 14 GLN H H 532 8.010 8.010 7.927 0.083 18091
2397 1 7 . 1 1 15 15 ARG N N 533 118.730 118.730 119.339 -0.609 18091
2398 1 7 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.036 -0.116 18091
2399 1 7 . 1 1 15 15 ARG C C 533 179.030 179.030 179.004 0.026 18091
2400 1 7 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.045 0.094 18091
2401 1 7 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.049 -0.249 18091
2402 1 7 . 1 1 15 15 ARG H H 533 7.800 7.800 8.000 -0.200 18091
2403 1 7 . 1 1 16 16 ALA N N 534 123.500 123.500 122.417 1.083 18091
2404 1 7 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.023 -0.063 18091
2405 1 7 . 1 1 16 16 ALA C C 534 178.860 178.860 179.750 -0.890 18091
2406 1 7 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.968 -0.298 18091
2407 1 7 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.426 0.304 18091
2408 1 7 . 1 1 16 16 ALA H H 534 8.210 8.210 7.888 0.322 18091
2409 1 7 . 1 1 17 17 MET N N 535 111.910 111.910 115.068 -3.158 18091
2410 1 7 . 1 1 17 17 MET HA H 535 4.020 4.020 4.214 -0.194 18091
2411 1 7 . 1 1 17 17 MET C C 535 176.890 176.890 177.433 -0.543 18091
2412 1 7 . 1 1 17 17 MET CA C 535 55.200 55.200 57.193 -1.993 18091
2413 1 7 . 1 1 17 17 MET CB C 535 31.110 31.110 31.776 -0.666 18091
2414 1 7 . 1 1 17 17 MET H H 535 7.480 7.480 8.005 -0.525 18091
2415 1 7 . 1 1 18 18 LYS N N 536 116.840 116.840 116.958 -0.118 18091
2416 1 7 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.160 -0.170 18091
2417 1 7 . 1 1 18 18 LYS C C 536 176.690 176.690 176.681 0.009 18091
2418 1 7 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.164 -0.574 18091
2419 1 7 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.517 -0.177 18091
2420 1 7 . 1 1 18 18 LYS H H 536 7.180 7.180 7.278 -0.098 18091
2421 1 7 . 1 1 19 19 ASP N N 537 122.680 122.680 121.028 1.652 18091
2422 1 7 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.914 -0.114 18091
2423 1 7 . 1 1 19 19 ASP C C 537 174.720 174.720 175.254 -0.534 18091
2424 1 7 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.953 0.137 18091
2425 1 7 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.343 0.627 18091
2426 1 7 . 1 1 19 19 ASP H H 537 7.530 7.530 7.635 -0.105 18091
2427 1 7 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.254 -0.114 18091
2428 1 7 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.841 -0.091 18091
2429 1 7 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.102 0.018 18091
2430 1 7 . 1 1 21 21 GLU N N 539 118.590 118.590 117.940 0.650 18091
2431 1 7 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.076 -0.066 18091
2432 1 7 . 1 1 21 21 GLU C C 539 179.010 179.010 178.938 0.072 18091
2433 1 7 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.099 -0.249 18091
2434 1 7 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.329 0.011 18091
2435 1 7 . 1 1 21 21 GLU H H 539 8.200 8.200 7.891 0.309 18091
2436 1 7 . 1 1 22 22 VAL N N 540 120.690 120.690 120.390 0.300 18091
2437 1 7 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.563 -0.333 18091
2438 1 7 . 1 1 22 22 VAL C C 540 177.740 177.740 177.702 0.038 18091
2439 1 7 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.447 -0.357 18091
2440 1 7 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.538 -0.188 18091
2441 1 7 . 1 1 22 22 VAL H H 540 7.350 7.350 7.620 -0.270 18091
2442 1 7 . 1 1 23 23 ALA N N 541 121.460 121.460 122.217 -0.757 18091
2443 1 7 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.968 -0.198 18091
2444 1 7 . 1 1 23 23 ALA C C 541 179.660 179.660 179.257 0.403 18091
2445 1 7 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.013 0.377 18091
2446 1 7 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.274 -0.564 18091
2447 1 7 . 1 1 23 23 ALA H H 541 8.430 8.430 7.520 0.910 18091
2448 1 7 . 1 1 24 24 ALA N N 542 117.000 117.000 121.340 -4.340 18091
2449 1 7 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.110 -0.170 18091
2450 1 7 . 1 1 24 24 ALA C C 542 180.880 180.880 179.160 1.720 18091
2451 1 7 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.680 0.020 18091
2452 1 7 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.305 -0.355 18091
2453 1 7 . 1 1 24 24 ALA H H 542 7.380 7.380 7.596 -0.216 18091
2454 1 7 . 1 1 25 25 ILE N N 543 119.750 119.750 118.027 1.723 18091
2455 1 7 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.791 -0.101 18091
2456 1 7 . 1 1 25 25 ILE C C 543 177.450 177.450 178.564 -1.114 18091
2457 1 7 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.392 0.568 18091
2458 1 7 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.209 0.071 18091
2459 1 7 . 1 1 25 25 ILE H H 543 7.380 7.380 7.446 -0.066 18091
2460 1 7 . 1 1 26 26 MET N N 544 113.830 113.830 117.681 -3.851 18091
2461 1 7 . 1 1 26 26 MET HA H 544 4.140 4.140 4.089 0.051 18091
2462 1 7 . 1 1 26 26 MET C C 544 177.680 177.680 177.881 -0.201 18091
2463 1 7 . 1 1 26 26 MET CA C 544 55.660 55.660 58.666 -3.006 18091
2464 1 7 . 1 1 26 26 MET CB C 544 30.690 30.690 32.604 -1.914 18091
2465 1 7 . 1 1 26 26 MET H H 544 7.870 7.870 7.709 0.161 18091
2466 1 7 . 1 1 27 27 GLN N N 545 115.210 115.210 115.610 -0.400 18091
2467 1 7 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.302 -0.222 18091
2468 1 7 . 1 1 27 27 GLN C C 545 175.170 175.170 175.558 -0.388 18091
2469 1 7 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.039 -0.599 18091
2470 1 7 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.403 -0.413 18091
2471 1 7 . 1 1 27 27 GLN H H 545 7.340 7.340 7.438 -0.098 18091
2472 1 7 . 1 1 28 28 ASP N N 546 123.270 123.270 119.196 4.074 18091
2473 1 7 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.013 -0.293 18091
2474 1 7 . 1 1 28 28 ASP C C 546 175.220 175.220 174.954 0.266 18091
2475 1 7 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.613 0.727 18091
2476 1 7 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.932 -0.552 18091
2477 1 7 . 1 1 28 28 ASP H H 546 7.320 7.320 7.816 -0.496 18091
2478 1 7 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.587 -0.467 18091
2479 1 7 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.903 1.017 18091
2480 1 7 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.820 -0.560 18091
2481 1 7 . 1 1 30 30 VAL N N 548 119.870 119.870 119.706 0.164 18091
2482 1 7 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.596 -0.016 18091
2483 1 7 . 1 1 30 30 VAL C C 548 179.010 179.010 177.719 1.291 18091
2484 1 7 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.647 -0.647 18091
2485 1 7 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.540 -0.429 18091
2486 1 7 . 1 1 30 30 VAL H H 548 8.000 8.000 7.738 0.262 18091
2487 1 7 . 1 1 31 31 MET N N 549 118.270 118.270 117.151 1.119 18091
2488 1 7 . 1 1 31 31 MET HA H 549 4.340 4.340 3.976 0.364 18091
2489 1 7 . 1 1 31 31 MET C C 549 178.830 178.830 178.314 0.516 18091
2490 1 7 . 1 1 31 31 MET CA C 549 55.140 55.140 58.782 -3.642 18091
2491 1 7 . 1 1 31 31 MET CB C 549 28.840 28.840 32.242 -3.402 18091
2492 1 7 . 1 1 31 31 MET H H 549 7.250 7.250 7.892 -0.642 18091
2493 1 7 . 1 1 32 32 GLN N N 550 118.190 118.190 119.124 -0.934 18091
2494 1 7 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.930 -0.190 18091
2495 1 7 . 1 1 32 32 GLN C C 550 178.840 178.840 178.588 0.252 18091
2496 1 7 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.042 0.378 18091
2497 1 7 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.349 -0.689 18091
2498 1 7 . 1 1 32 32 GLN H H 550 8.310 8.310 8.447 -0.137 18091
2499 1 7 . 1 1 33 33 SER N N 551 114.010 114.010 116.214 -2.204 18091
2500 1 7 . 1 1 33 33 SER HA H 551 4.140 4.140 4.153 -0.013 18091
2501 1 7 . 1 1 33 33 SER C C 551 176.840 176.840 176.707 0.133 18091
2502 1 7 . 1 1 33 33 SER CA C 551 61.330 61.330 62.216 -0.886 18091
2503 1 7 . 1 1 33 33 SER CB C 551 62.450 62.450 63.006 -0.556 18091
2504 1 7 . 1 1 33 33 SER H H 551 7.570 7.570 7.743 -0.173 18091
2505 1 7 . 1 1 34 34 ILE N N 552 123.490 123.490 122.184 1.306 18091
2506 1 7 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.492 -0.212 18091
2507 1 7 . 1 1 34 34 ILE C C 552 177.630 177.630 177.607 0.023 18091
2508 1 7 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.975 0.705 18091
2509 1 7 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.351 0.369 18091
2510 1 7 . 1 1 34 34 ILE H H 552 7.600 7.600 7.541 0.059 18091
2511 1 7 . 1 1 35 35 LEU N N 553 119.520 119.520 119.522 -0.002 18091
2512 1 7 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.807 -0.057 18091
2513 1 7 . 1 1 35 35 LEU C C 553 179.440 179.440 179.140 0.300 18091
2514 1 7 . 1 1 35 35 LEU CA C 553 57.950 57.950 57.918 0.032 18091
2515 1 7 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.239 -0.538 18091
2516 1 7 . 1 1 35 35 LEU H H 553 8.330 8.330 7.742 0.588 18091
2517 1 7 . 1 1 36 36 GLN N N 554 118.590 118.590 118.691 -0.101 18091
2518 1 7 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.096 -0.176 18091
2519 1 7 . 1 1 36 36 GLN C C 554 178.560 178.560 178.659 -0.099 18091
2520 1 7 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.613 0.047 18091
2521 1 7 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.276 -0.216 18091
2522 1 7 . 1 1 36 36 GLN H H 554 7.800 7.800 7.809 -0.009 18091
2523 1 7 . 1 1 37 37 GLN N N 555 119.520 119.520 119.305 0.215 18091
2524 1 7 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.198 -0.268 18091
2525 1 7 . 1 1 37 37 GLN C C 555 178.400 178.400 178.619 -0.219 18091
2526 1 7 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.692 -0.162 18091
2527 1 7 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.795 -0.005 18091
2528 1 7 . 1 1 37 37 GLN H H 555 7.990 7.990 8.051 -0.061 18091
2529 1 7 . 1 1 38 38 ALA N N 556 120.730 120.730 121.310 -0.580 18091
2530 1 7 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.358 -0.248 18091
2531 1 7 . 1 1 38 38 ALA C C 556 178.310 178.310 179.712 -1.402 18091
2532 1 7 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.783 -1.283 18091
2533 1 7 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.352 0.017 18091
2534 1 7 . 1 1 38 38 ALA H H 556 8.310 8.310 8.145 0.165 18091
2535 1 7 . 1 1 39 39 GLN N N 557 115.600 115.600 117.468 -1.868 18091
2536 1 7 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.005 -0.045 18091
2537 1 7 . 1 1 39 39 GLN C C 557 177.260 177.260 178.656 -1.396 18091
2538 1 7 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.285 -0.365 18091
2539 1 7 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.619 -0.140 18091
2540 1 7 . 1 1 39 39 GLN H H 557 7.530 7.530 7.734 -0.204 18091
2541 1 7 . 1 1 40 40 GLN N N 558 115.310 115.310 117.039 -1.729 18091
2542 1 7 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.139 0.041 18091
2543 1 7 . 1 1 40 40 GLN C C 558 176.030 176.030 176.413 -0.383 18091
2544 1 7 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.685 -1.135 18091
2545 1 7 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.863 -0.543 18091
2546 1 7 . 1 1 40 40 GLN H H 558 7.350 7.350 7.580 -0.230 18091
2547 1 7 . 1 1 41 41 ASN N N 559 114.850 114.850 114.814 0.036 18091
2548 1 7 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.061 -0.111 18091
2549 1 7 . 1 1 41 41 ASN C C 559 172.420 172.420 173.250 -0.830 18091
2550 1 7 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.585 -1.155 18091
2551 1 7 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.161 -2.281 18091
2552 1 7 . 1 1 41 41 ASN H H 559 7.900 7.900 8.047 -0.147 18091
2553 1 7 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.587 -0.257 18091
2554 1 7 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.880 0.120 18091
2555 1 7 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.253 -0.573 18091
2556 1 7 . 1 1 43 43 ALA N N 561 119.920 119.920 120.211 -0.291 18091
2557 1 7 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.364 -0.234 18091
2558 1 7 . 1 1 43 43 ALA C C 561 179.510 179.510 178.739 0.771 18091
2559 1 7 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.038 0.012 18091
2560 1 7 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.283 -0.233 18091
2561 1 7 . 1 1 43 43 ALA H H 561 7.850 7.850 7.605 0.245 18091
2562 1 7 . 1 1 44 44 ALA N N 562 120.790 120.790 121.774 -0.984 18091
2563 1 7 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.175 -0.155 18091
2564 1 7 . 1 1 44 44 ALA C C 562 179.570 179.570 179.809 -0.239 18091
2565 1 7 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.967 -0.847 18091
2566 1 7 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.607 -0.407 18091
2567 1 7 . 1 1 44 44 ALA H H 562 7.980 7.980 7.745 0.235 18091
2568 1 7 . 1 1 45 45 LEU N N 563 116.420 116.420 116.843 -0.423 18091
2569 1 7 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.395 -0.415 18091
2570 1 7 . 1 1 45 45 LEU C C 563 178.220 178.220 178.829 -0.609 18091
2571 1 7 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.686 0.954 18091
2572 1 7 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.441 1.249 18091
2573 1 7 . 1 1 45 45 LEU H H 563 7.510 7.510 7.844 -0.334 18091
2574 1 7 . 1 1 46 46 GLN N N 564 115.510 115.510 119.832 -4.322 18091
2575 1 7 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.948 -0.088 18091
2576 1 7 . 1 1 46 46 GLN C C 564 178.300 178.300 178.476 -0.176 18091
2577 1 7 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.421 -0.701 18091
2578 1 7 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.497 -0.477 18091
2579 1 7 . 1 1 46 46 GLN H H 564 7.510 7.510 7.965 -0.455 18091
2580 1 7 . 1 1 47 47 GLU N N 565 117.680 117.680 118.181 -0.501 18091
2581 1 7 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.962 -0.062 18091
2582 1 7 . 1 1 47 47 GLU C C 565 179.070 179.070 179.235 -0.165 18091
2583 1 7 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.881 -0.501 18091
2584 1 7 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.044 -0.054 18091
2585 1 7 . 1 1 47 47 GLU H H 565 7.440 7.440 7.856 -0.416 18091
2586 1 7 . 1 1 48 48 HIS N N 566 118.220 118.220 119.603 -1.383 18091
2587 1 7 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.365 0.015 18091
2588 1 7 . 1 1 48 48 HIS C C 566 177.280 177.280 177.911 -0.631 18091
2589 1 7 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.208 -0.348 18091
2590 1 7 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.830 1.610 18091
2591 1 7 . 1 1 48 48 HIS H H 566 7.420 7.420 7.511 -0.091 18091
2592 1 7 . 1 1 49 49 MET N N 567 115.200 115.200 118.687 -3.487 18091
2593 1 7 . 1 1 49 49 MET HA H 567 3.840 3.840 4.325 -0.485 18091
2594 1 7 . 1 1 49 49 MET C C 567 175.260 175.260 177.505 -2.245 18091
2595 1 7 . 1 1 49 49 MET CA C 567 57.840 57.840 58.833 -0.993 18091
2596 1 7 . 1 1 49 49 MET CB C 567 33.080 33.080 32.783 0.297 18091
2597 1 7 . 1 1 49 49 MET H H 567 7.710 7.710 8.006 -0.296 18091
2598 1 7 . 1 1 50 50 LYS N N 568 116.040 116.040 115.942 0.098 18091
2599 1 7 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.071 -0.111 18091
2600 1 7 . 1 1 50 50 LYS C C 568 176.220 176.220 176.901 -0.681 18091
2601 1 7 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.428 -0.038 18091
2602 1 7 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.352 -0.133 18091
2603 1 7 . 1 1 50 50 LYS H H 568 7.140 7.140 7.592 -0.452 18091
2604 1 7 . 1 1 51 51 ASN N N 569 119.600 119.600 118.522 1.078 18091
2605 1 7 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.824 0.196 18091
2606 1 7 . 1 1 51 51 ASN C C 569 173.920 173.920 175.296 -1.376 18091
2607 1 7 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.605 -1.655 18091
2608 1 7 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.923 -0.923 18091
2609 1 7 . 1 1 51 51 ASN H H 569 7.480 7.480 7.453 0.027 18091
2610 1 7 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.318 -0.058 18091
2611 1 7 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.863 -0.753 18091
2612 1 7 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.030 0.240 18091
2613 1 7 . 1 1 53 53 GLU N N 571 116.870 116.870 118.427 -1.557 18091
2614 1 7 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.158 -0.088 18091
2615 1 7 . 1 1 53 53 GLU C C 571 178.830 178.830 178.729 0.101 18091
2616 1 7 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.551 -0.671 18091
2617 1 7 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.474 -0.044 18091
2618 1 7 . 1 1 53 53 GLU H H 571 7.960 7.960 8.577 -0.617 18091
2619 1 7 . 1 1 54 54 VAL N N 572 118.290 118.290 119.081 -0.791 18091
2620 1 7 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.834 -0.174 18091
2621 1 7 . 1 1 54 54 VAL C C 572 177.620 177.620 177.805 -0.185 18091
2622 1 7 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.167 -0.067 18091
2623 1 7 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.487 0.723 18091
2624 1 7 . 1 1 54 54 VAL H H 572 7.330 7.330 7.801 -0.471 18091
2625 1 7 . 1 1 55 55 PHE N N 573 121.090 121.090 121.971 -0.881 18091
2626 1 7 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.079 -0.189 18091
2627 1 7 . 1 1 55 55 PHE C C 573 176.760 176.760 177.023 -0.263 18091
2628 1 7 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.049 0.181 18091
2629 1 7 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.995 -0.374 18091
2630 1 7 . 1 1 55 55 PHE H H 573 8.700 8.700 8.754 -0.054 18091
2631 1 7 . 1 1 56 56 LYS N N 574 116.910 116.910 119.670 -2.760 18091
2632 1 7 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.757 0.033 18091
2633 1 7 . 1 1 56 56 LYS C C 574 178.980 178.980 178.963 0.017 18091
2634 1 7 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.618 -0.138 18091
2635 1 7 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.462 -0.262 18091
2636 1 7 . 1 1 56 56 LYS H H 574 7.800 7.800 7.855 -0.055 18091
2637 1 7 . 1 1 57 57 LYS N N 575 119.120 119.120 119.364 -0.244 18091
2638 1 7 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.998 -0.088 18091
2639 1 7 . 1 1 57 57 LYS C C 575 178.520 178.520 179.082 -0.562 18091
2640 1 7 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.556 0.395 18091
2641 1 7 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.410 0.650 18091
2642 1 7 . 1 1 57 57 LYS H H 575 7.170 7.170 7.337 -0.167 18091
2643 1 7 . 1 1 58 58 ILE N N 576 119.180 119.180 119.284 -0.104 18091
2644 1 7 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.763 -0.443 18091
2645 1 7 . 1 1 58 58 ILE C C 576 177.820 177.820 178.516 -0.696 18091
2646 1 7 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.175 0.355 18091
2647 1 7 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.053 -0.803 18091
2648 1 7 . 1 1 58 58 ILE H H 576 8.300 8.300 8.541 -0.241 18091
2649 1 7 . 1 1 59 59 GLN N N 577 118.000 118.000 118.230 -0.230 18091
2650 1 7 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.794 -0.124 18091
2651 1 7 . 1 1 59 59 GLN C C 577 179.250 179.250 178.406 0.844 18091
2652 1 7 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.294 -0.174 18091
2653 1 7 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.240 -0.400 18091
2654 1 7 . 1 1 59 59 GLN H H 577 8.180 8.180 7.714 0.466 18091
2655 1 7 . 1 1 60 60 THR N N 578 118.670 118.670 117.013 1.657 18091
2656 1 7 . 1 1 60 60 THR HA H 578 3.760 3.760 3.980 -0.220 18091
2657 1 7 . 1 1 60 60 THR C C 578 176.060 176.060 176.504 -0.444 18091
2658 1 7 . 1 1 60 60 THR CA C 578 66.890 66.890 66.760 0.130 18091
2659 1 7 . 1 1 60 60 THR CB C 578 68.030 68.030 68.326 -0.296 18091
2660 1 7 . 1 1 60 60 THR H H 578 7.780 7.780 7.657 0.123 18091
2661 1 7 . 1 1 61 61 LEU N N 579 120.680 120.680 120.589 0.091 18091
2662 1 7 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.079 -0.229 18091
2663 1 7 . 1 1 61 61 LEU C C 579 179.590 179.590 178.644 0.946 18091
2664 1 7 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.617 0.034 18091
2665 1 7 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.457 -0.477 18091
2666 1 7 . 1 1 61 61 LEU H H 579 7.620 7.620 7.372 0.248 18091
2667 1 7 . 1 1 62 62 ILE N N 580 122.880 122.880 120.829 2.051 18091
2668 1 7 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.756 0.274 18091
2669 1 7 . 1 1 62 62 ILE C C 580 180.260 180.260 179.138 1.122 18091
2670 1 7 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.013 -0.283 18091
2671 1 7 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.725 0.585 18091
2672 1 7 . 1 1 62 62 ILE H H 580 8.540 8.540 7.639 0.901 18091
2673 1 7 . 1 1 63 63 ALA N N 581 124.510 124.510 123.238 1.272 18091
2674 1 7 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.055 -0.085 18091
2675 1 7 . 1 1 63 63 ALA C C 581 179.000 179.000 178.505 0.495 18091
2676 1 7 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.612 0.228 18091
2677 1 7 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.231 -0.731 18091
2678 1 7 . 1 1 63 63 ALA H H 581 8.120 8.120 8.058 0.062 18091
2679 1 7 . 1 1 64 64 ALA N N 582 116.250 116.250 118.441 -2.191 18091
2680 1 7 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.257 -0.117 18091
2681 1 7 . 1 1 64 64 ALA C C 582 177.040 177.040 177.824 -0.784 18091
2682 1 7 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.148 0.032 18091
2683 1 7 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.280 0.580 18091
2684 1 7 . 1 1 64 64 ALA H H 582 7.470 7.470 7.425 0.045 18091
2685 1 7 . 1 1 65 65 GLY N N 583 104.540 104.540 106.502 -1.962 18091
2686 1 7 . 1 1 65 65 GLY C C 583 174.180 174.180 175.123 -0.943 18091
2687 1 7 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.868 -1.078 18091
2688 1 7 . 1 1 65 65 GLY H H 583 7.600 7.600 7.699 -0.099 18091
2689 1 7 . 1 1 66 66 ILE N N 584 118.630 118.630 117.688 0.942 18091
2690 1 7 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.166 -0.406 18091
2691 1 7 . 1 1 66 66 ILE C C 584 175.660 175.660 175.648 0.012 18091
2692 1 7 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.453 -0.903 18091
2693 1 7 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.802 -1.192 18091
2694 1 7 . 1 1 66 66 ILE H H 584 7.590 7.590 7.776 -0.186 18091
2695 1 7 . 1 1 67 67 ILE N N 585 116.360 116.360 119.357 -2.997 18091
2696 1 7 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.338 -0.168 18091
2697 1 7 . 1 1 67 67 ILE C C 585 174.370 174.370 174.716 -0.346 18091
2698 1 7 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.097 -0.617 18091
2699 1 7 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.786 -1.156 18091
2700 1 7 . 1 1 67 67 ILE H H 585 6.490 6.490 7.372 -0.882 18091
2701 1 7 . 1 1 68 68 ARG N N 586 125.450 125.450 125.751 -0.301 18091
2702 1 7 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.600 -0.220 18091
2703 1 7 . 1 1 68 68 ARG C C 586 175.720 175.720 175.718 0.002 18091
2704 1 7 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.083 -1.163 18091
2705 1 7 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.933 0.387 18091
2706 1 7 . 1 1 68 68 ARG H H 586 8.500 8.500 8.599 -0.099 18091
2707 1 7 . 1 1 69 69 THR N N 587 113.710 113.710 114.031 -0.321 18091
2708 1 7 . 1 1 69 69 THR HA H 587 4.300 4.300 4.611 -0.311 18091
2709 1 7 . 1 1 69 69 THR C C 587 174.760 174.760 174.825 -0.065 18091
2710 1 7 . 1 1 69 69 THR CA C 587 61.300 61.300 61.015 0.285 18091
2711 1 7 . 1 1 69 69 THR CB C 587 69.720 69.720 70.455 -0.735 18091
2712 1 7 . 1 1 69 69 THR H H 587 8.250 8.250 8.341 -0.091 18091
2713 1 7 . 1 1 70 70 GLY N N 588 110.720 110.720 111.255 -0.535 18091
2714 1 7 . 1 1 70 70 GLY C C 588 172.820 172.820 173.640 -0.820 18091
2715 1 7 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.446 -0.286 18091
2716 1 7 . 1 1 70 70 GLY H H 588 8.230 8.230 8.533 -0.303 18091
2717 1 8 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.407 -0.177 18091
2718 1 8 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.430 -0.180 18091
2719 1 8 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.031 -0.071 18091
2720 1 8 . 1 1 3 3 GLY N N 521 109.400 109.400 109.848 -0.448 18091
2721 1 8 . 1 1 3 3 GLY C C 521 174.300 174.300 173.580 0.720 18091
2722 1 8 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.251 0.929 18091
2723 1 8 . 1 1 3 3 GLY H H 521 8.490 8.490 8.238 0.252 18091
2724 1 8 . 1 1 4 4 THR N N 522 112.480 112.480 111.480 1.000 18091
2725 1 8 . 1 1 4 4 THR HA H 522 4.300 4.300 4.463 -0.163 18091
2726 1 8 . 1 1 4 4 THR C C 522 174.690 174.690 174.028 0.662 18091
2727 1 8 . 1 1 4 4 THR CA C 522 61.240 61.240 61.851 -0.611 18091
2728 1 8 . 1 1 4 4 THR CB C 522 69.960 69.960 70.118 -0.158 18091
2729 1 8 . 1 1 4 4 THR H H 522 7.860 7.860 8.090 -0.230 18091
2730 1 8 . 1 1 5 5 SER N N 523 117.450 117.450 116.452 0.998 18091
2731 1 8 . 1 1 5 5 SER HA H 523 3.890 3.890 4.554 -0.664 18091
2732 1 8 . 1 1 5 5 SER C C 523 173.320 173.320 173.169 0.151 18091
2733 1 8 . 1 1 5 5 SER CA C 523 58.460 58.460 57.772 0.688 18091
2734 1 8 . 1 1 5 5 SER CB C 523 63.690 63.690 64.239 -0.549 18091
2735 1 8 . 1 1 5 5 SER H H 523 8.300 8.300 8.280 0.020 18091
2736 1 8 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.891 -0.541 18091
2737 1 8 . 1 1 6 6 ASN C C 524 174.670 174.670 174.023 0.647 18091
2738 1 8 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.959 0.101 18091
2739 1 8 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.313 -0.603 18091
2740 1 8 . 1 1 7 7 GLU N N 525 120.970 120.970 124.245 -3.275 18091
2741 1 8 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.555 -0.215 18091
2742 1 8 . 1 1 7 7 GLU C C 525 176.900 176.900 175.378 1.522 18091
2743 1 8 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.710 0.330 18091
2744 1 8 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.633 -1.563 18091
2745 1 8 . 1 1 7 7 GLU H H 525 7.970 7.970 8.404 -0.434 18091
2746 1 8 . 1 1 8 8 THR N N 526 116.960 116.960 113.601 3.359 18091
2747 1 8 . 1 1 8 8 THR HA H 526 4.540 4.540 4.207 0.333 18091
2748 1 8 . 1 1 8 8 THR C C 526 173.410 173.410 173.344 0.066 18091
2749 1 8 . 1 1 8 8 THR CA C 526 60.080 60.080 62.294 -2.213 18091
2750 1 8 . 1 1 8 8 THR CB C 526 68.500 68.500 67.698 0.802 18091
2751 1 8 . 1 1 8 8 THR H H 526 8.630 8.630 8.574 0.056 18091
2752 1 8 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.009 0.181 18091
2753 1 8 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.060 0.050 18091
2754 1 8 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.755 -0.175 18091
2755 1 8 . 1 1 10 10 GLU N N 528 118.610 118.610 116.807 1.803 18091
2756 1 8 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.221 -0.241 18091
2757 1 8 . 1 1 10 10 GLU C C 528 178.550 178.550 178.800 -0.250 18091
2758 1 8 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.672 -0.092 18091
2759 1 8 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.062 -0.072 18091
2760 1 8 . 1 1 10 10 GLU H H 528 8.550 8.550 8.913 -0.363 18091
2761 1 8 . 1 1 11 11 GLU N N 529 121.090 121.090 119.417 1.673 18091
2762 1 8 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.061 -0.131 18091
2763 1 8 . 1 1 11 11 GLU C C 529 179.470 179.470 178.706 0.764 18091
2764 1 8 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.368 -0.418 18091
2765 1 8 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.522 -0.042 18091
2766 1 8 . 1 1 11 11 GLU H H 529 7.870 7.870 8.234 -0.364 18091
2767 1 8 . 1 1 12 12 THR N N 530 118.050 118.050 116.946 1.104 18091
2768 1 8 . 1 1 12 12 THR HA H 530 3.750 3.750 3.958 -0.208 18091
2769 1 8 . 1 1 12 12 THR C C 530 175.770 175.770 176.575 -0.805 18091
2770 1 8 . 1 1 12 12 THR CA C 530 66.320 66.320 66.799 -0.479 18091
2771 1 8 . 1 1 12 12 THR CB C 530 68.430 68.430 68.175 0.255 18091
2772 1 8 . 1 1 12 12 THR H H 530 8.390 8.390 7.332 1.058 18091
2773 1 8 . 1 1 13 13 TYR N N 531 122.280 122.280 120.287 1.993 18091
2774 1 8 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.118 -0.298 18091
2775 1 8 . 1 1 13 13 TYR C C 531 176.420 176.420 178.301 -1.881 18091
2776 1 8 . 1 1 13 13 TYR CA C 531 61.440 61.440 60.903 0.537 18091
2777 1 8 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.015 1.095 18091
2778 1 8 . 1 1 13 13 TYR H H 531 8.050 8.050 7.457 0.593 18091
2779 1 8 . 1 1 14 14 GLN N N 532 116.250 116.250 118.223 -1.973 18091
2780 1 8 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.924 -0.234 18091
2781 1 8 . 1 1 14 14 GLN C C 532 178.800 178.800 178.369 0.431 18091
2782 1 8 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.968 -0.348 18091
2783 1 8 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.455 -0.395 18091
2784 1 8 . 1 1 14 14 GLN H H 532 8.010 8.010 7.877 0.133 18091
2785 1 8 . 1 1 15 15 ARG N N 533 118.730 118.730 119.724 -0.994 18091
2786 1 8 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.012 -0.092 18091
2787 1 8 . 1 1 15 15 ARG C C 533 179.030 179.030 178.934 0.096 18091
2788 1 8 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.132 0.008 18091
2789 1 8 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.218 -0.419 18091
2790 1 8 . 1 1 15 15 ARG H H 533 7.800 7.800 7.877 -0.077 18091
2791 1 8 . 1 1 16 16 ALA N N 534 123.500 123.500 121.608 1.892 18091
2792 1 8 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.065 -0.105 18091
2793 1 8 . 1 1 16 16 ALA C C 534 178.860 178.860 179.601 -0.741 18091
2794 1 8 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.800 -0.131 18091
2795 1 8 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.497 0.233 18091
2796 1 8 . 1 1 16 16 ALA H H 534 8.210 8.210 7.916 0.294 18091
2797 1 8 . 1 1 17 17 MET N N 535 111.910 111.910 116.319 -4.409 18091
2798 1 8 . 1 1 17 17 MET HA H 535 4.020 4.020 4.183 -0.163 18091
2799 1 8 . 1 1 17 17 MET C C 535 176.890 176.890 177.339 -0.449 18091
2800 1 8 . 1 1 17 17 MET CA C 535 55.200 55.200 57.587 -2.387 18091
2801 1 8 . 1 1 17 17 MET CB C 535 31.110 31.110 32.364 -1.254 18091
2802 1 8 . 1 1 17 17 MET H H 535 7.480 7.480 8.004 -0.524 18091
2803 1 8 . 1 1 18 18 LYS N N 536 116.840 116.840 117.503 -0.663 18091
2804 1 8 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.126 -0.136 18091
2805 1 8 . 1 1 18 18 LYS C C 536 176.690 176.690 176.462 0.228 18091
2806 1 8 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.219 -0.629 18091
2807 1 8 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.465 -0.125 18091
2808 1 8 . 1 1 18 18 LYS H H 536 7.180 7.180 7.282 -0.102 18091
2809 1 8 . 1 1 19 19 ASP N N 537 122.680 122.680 120.976 1.704 18091
2810 1 8 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.913 -0.113 18091
2811 1 8 . 1 1 19 19 ASP C C 537 174.720 174.720 175.803 -1.083 18091
2812 1 8 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.126 -0.036 18091
2813 1 8 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.731 0.239 18091
2814 1 8 . 1 1 19 19 ASP H H 537 7.530 7.530 7.673 -0.143 18091
2815 1 8 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.246 -0.106 18091
2816 1 8 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.771 -0.021 18091
2817 1 8 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.152 -0.032 18091
2818 1 8 . 1 1 21 21 GLU N N 539 118.590 118.590 117.738 0.852 18091
2819 1 8 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.062 -0.052 18091
2820 1 8 . 1 1 21 21 GLU C C 539 179.010 179.010 178.905 0.105 18091
2821 1 8 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.138 -0.288 18091
2822 1 8 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.245 0.095 18091
2823 1 8 . 1 1 21 21 GLU H H 539 8.200 8.200 7.829 0.371 18091
2824 1 8 . 1 1 22 22 VAL N N 540 120.690 120.690 120.021 0.669 18091
2825 1 8 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.672 -0.442 18091
2826 1 8 . 1 1 22 22 VAL C C 540 177.740 177.740 177.860 -0.120 18091
2827 1 8 . 1 1 22 22 VAL CA C 540 66.090 66.090 65.385 0.705 18091
2828 1 8 . 1 1 22 22 VAL CB C 540 31.350 31.350 30.835 0.515 18091
2829 1 8 . 1 1 22 22 VAL H H 540 7.350 7.350 7.679 -0.329 18091
2830 1 8 . 1 1 23 23 ALA N N 541 121.460 121.460 122.118 -0.658 18091
2831 1 8 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.923 -0.153 18091
2832 1 8 . 1 1 23 23 ALA C C 541 179.660 179.660 179.370 0.290 18091
2833 1 8 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.320 0.070 18091
2834 1 8 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.063 -0.353 18091
2835 1 8 . 1 1 23 23 ALA H H 541 8.430 8.430 7.545 0.885 18091
2836 1 8 . 1 1 24 24 ALA N N 542 117.000 117.000 120.856 -3.856 18091
2837 1 8 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.061 -0.121 18091
2838 1 8 . 1 1 24 24 ALA C C 542 180.880 180.880 179.417 1.463 18091
2839 1 8 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.810 -0.110 18091
2840 1 8 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.291 -0.341 18091
2841 1 8 . 1 1 24 24 ALA H H 542 7.380 7.380 7.479 -0.099 18091
2842 1 8 . 1 1 25 25 ILE N N 543 119.750 119.750 118.172 1.578 18091
2843 1 8 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.736 -0.046 18091
2844 1 8 . 1 1 25 25 ILE C C 543 177.450 177.450 178.372 -0.922 18091
2845 1 8 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.684 0.276 18091
2846 1 8 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.181 0.099 18091
2847 1 8 . 1 1 25 25 ILE H H 543 7.380 7.380 7.394 -0.014 18091
2848 1 8 . 1 1 26 26 MET N N 544 113.830 113.830 117.120 -3.290 18091
2849 1 8 . 1 1 26 26 MET HA H 544 4.140 4.140 4.100 0.040 18091
2850 1 8 . 1 1 26 26 MET C C 544 177.680 177.680 177.848 -0.168 18091
2851 1 8 . 1 1 26 26 MET CA C 544 55.660 55.660 58.028 -2.368 18091
2852 1 8 . 1 1 26 26 MET CB C 544 30.690 30.690 32.307 -1.617 18091
2853 1 8 . 1 1 26 26 MET H H 544 7.870 7.870 7.909 -0.039 18091
2854 1 8 . 1 1 27 27 GLN N N 545 115.210 115.210 117.049 -1.839 18091
2855 1 8 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.118 -0.038 18091
2856 1 8 . 1 1 27 27 GLN C C 545 175.170 175.170 175.936 -0.766 18091
2857 1 8 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.939 -1.499 18091
2858 1 8 . 1 1 27 27 GLN CB C 545 28.990 28.990 28.802 0.188 18091
2859 1 8 . 1 1 27 27 GLN H H 545 7.340 7.340 7.661 -0.321 18091
2860 1 8 . 1 1 28 28 ASP N N 546 123.270 123.270 117.290 5.980 18091
2861 1 8 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.413 0.307 18091
2862 1 8 . 1 1 28 28 ASP C C 546 175.220 175.220 174.513 0.707 18091
2863 1 8 . 1 1 28 28 ASP CA C 546 51.340 51.340 57.202 -5.862 18091
2864 1 8 . 1 1 28 28 ASP CB C 546 42.380 42.380 38.678 3.702 18091
2865 1 8 . 1 1 28 28 ASP H H 546 7.320 7.320 8.248 -0.927 18091
2866 1 8 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.201 -0.081 18091
2867 1 8 . 1 1 29 29 PRO CA C 547 64.920 64.920 66.017 -1.097 18091
2868 1 8 . 1 1 29 29 PRO CB C 547 32.260 32.260 31.746 0.514 18091
2869 1 8 . 1 1 30 30 VAL N N 548 119.870 119.870 118.323 1.547 18091
2870 1 8 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.655 -0.075 18091
2871 1 8 . 1 1 30 30 VAL C C 548 179.010 179.010 178.253 0.757 18091
2872 1 8 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.252 -0.252 18091
2873 1 8 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.644 -0.534 18091
2874 1 8 . 1 1 30 30 VAL H H 548 8.000 8.000 7.818 0.182 18091
2875 1 8 . 1 1 31 31 MET N N 549 118.270 118.270 117.818 0.452 18091
2876 1 8 . 1 1 31 31 MET HA H 549 4.340 4.340 3.985 0.355 18091
2877 1 8 . 1 1 31 31 MET C C 549 178.830 178.830 178.185 0.645 18091
2878 1 8 . 1 1 31 31 MET CA C 549 55.140 55.140 58.901 -3.761 18091
2879 1 8 . 1 1 31 31 MET CB C 549 28.840 28.840 32.179 -3.339 18091
2880 1 8 . 1 1 31 31 MET H H 549 7.250 7.250 7.642 -0.392 18091
2881 1 8 . 1 1 32 32 GLN N N 550 118.190 118.190 119.730 -1.540 18091
2882 1 8 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.922 -0.182 18091
2883 1 8 . 1 1 32 32 GLN C C 550 178.840 178.840 178.116 0.724 18091
2884 1 8 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.450 -0.030 18091
2885 1 8 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.561 -0.900 18091
2886 1 8 . 1 1 32 32 GLN H H 550 8.310 8.310 7.843 0.467 18091
2887 1 8 . 1 1 33 33 SER N N 551 114.010 114.010 115.180 -1.170 18091
2888 1 8 . 1 1 33 33 SER HA H 551 4.140 4.140 4.177 -0.037 18091
2889 1 8 . 1 1 33 33 SER C C 551 176.840 176.840 176.680 0.160 18091
2890 1 8 . 1 1 33 33 SER CA C 551 61.330 61.330 61.684 -0.354 18091
2891 1 8 . 1 1 33 33 SER CB C 551 62.450 62.450 63.024 -0.574 18091
2892 1 8 . 1 1 33 33 SER H H 551 7.570 7.570 7.601 -0.031 18091
2893 1 8 . 1 1 34 34 ILE N N 552 123.490 123.490 121.915 1.575 18091
2894 1 8 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.640 -0.360 18091
2895 1 8 . 1 1 34 34 ILE C C 552 177.630 177.630 178.035 -0.405 18091
2896 1 8 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.417 0.263 18091
2897 1 8 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.666 0.054 18091
2898 1 8 . 1 1 34 34 ILE H H 552 7.600 7.600 7.444 0.156 18091
2899 1 8 . 1 1 35 35 LEU N N 553 119.520 119.520 119.491 0.029 18091
2900 1 8 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.801 -0.051 18091
2901 1 8 . 1 1 35 35 LEU C C 553 179.440 179.440 179.145 0.295 18091
2902 1 8 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.358 -0.408 18091
2903 1 8 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.237 -0.537 18091
2904 1 8 . 1 1 35 35 LEU H H 553 8.330 8.330 7.962 0.368 18091
2905 1 8 . 1 1 36 36 GLN N N 554 118.590 118.590 117.414 1.176 18091
2906 1 8 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.895 0.025 18091
2907 1 8 . 1 1 36 36 GLN C C 554 178.560 178.560 178.766 -0.206 18091
2908 1 8 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.004 -0.344 18091
2909 1 8 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.535 -0.475 18091
2910 1 8 . 1 1 36 36 GLN H H 554 7.800 7.800 7.909 -0.109 18091
2911 1 8 . 1 1 37 37 GLN N N 555 119.520 119.520 119.955 -0.435 18091
2912 1 8 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.027 -0.097 18091
2913 1 8 . 1 1 37 37 GLN C C 555 178.400 178.400 178.353 0.047 18091
2914 1 8 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.676 -0.146 18091
2915 1 8 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.853 -0.063 18091
2916 1 8 . 1 1 37 37 GLN H H 555 7.990 7.990 7.969 0.021 18091
2917 1 8 . 1 1 38 38 ALA N N 556 120.730 120.730 120.490 0.240 18091
2918 1 8 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.299 -0.189 18091
2919 1 8 . 1 1 38 38 ALA C C 556 178.310 178.310 179.635 -1.325 18091
2920 1 8 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.589 -1.089 18091
2921 1 8 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.251 0.119 18091
2922 1 8 . 1 1 38 38 ALA H H 556 8.310 8.310 8.165 0.145 18091
2923 1 8 . 1 1 39 39 GLN N N 557 115.600 115.600 118.956 -3.356 18091
2924 1 8 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.054 -0.094 18091
2925 1 8 . 1 1 39 39 GLN C C 557 177.260 177.260 178.266 -1.006 18091
2926 1 8 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.319 -0.399 18091
2927 1 8 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.721 -0.241 18091
2928 1 8 . 1 1 39 39 GLN H H 557 7.530 7.530 7.749 -0.219 18091
2929 1 8 . 1 1 40 40 GLN N N 558 115.310 115.310 116.266 -0.956 18091
2930 1 8 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.198 -0.018 18091
2931 1 8 . 1 1 40 40 GLN C C 558 176.030 176.030 176.190 -0.160 18091
2932 1 8 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.339 -0.789 18091
2933 1 8 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.944 -0.624 18091
2934 1 8 . 1 1 40 40 GLN H H 558 7.350 7.350 7.657 -0.307 18091
2935 1 8 . 1 1 41 41 ASN N N 559 114.850 114.850 115.647 -0.797 18091
2936 1 8 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.078 -0.128 18091
2937 1 8 . 1 1 41 41 ASN C C 559 172.420 172.420 173.299 -0.879 18091
2938 1 8 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.159 -0.729 18091
2939 1 8 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.261 -1.381 18091
2940 1 8 . 1 1 41 41 ASN H H 559 7.900 7.900 7.881 0.019 18091
2941 1 8 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.397 -0.067 18091
2942 1 8 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.917 0.083 18091
2943 1 8 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.106 -0.426 18091
2944 1 8 . 1 1 43 43 ALA N N 561 119.920 119.920 121.553 -1.633 18091
2945 1 8 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.237 -0.107 18091
2946 1 8 . 1 1 43 43 ALA C C 561 179.510 179.510 178.841 0.669 18091
2947 1 8 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.445 -0.395 18091
2948 1 8 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.014 0.036 18091
2949 1 8 . 1 1 43 43 ALA H H 561 7.850 7.850 7.701 0.149 18091
2950 1 8 . 1 1 44 44 ALA N N 562 120.790 120.790 121.083 -0.293 18091
2951 1 8 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.288 -0.268 18091
2952 1 8 . 1 1 44 44 ALA C C 562 179.570 179.570 179.155 0.415 18091
2953 1 8 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.705 -0.585 18091
2954 1 8 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.543 -0.343 18091
2955 1 8 . 1 1 44 44 ALA H H 562 7.980 7.980 7.997 -0.017 18091
2956 1 8 . 1 1 45 45 LEU N N 563 116.420 116.420 117.383 -0.963 18091
2957 1 8 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.402 -0.422 18091
2958 1 8 . 1 1 45 45 LEU C C 563 178.220 178.220 178.756 -0.536 18091
2959 1 8 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.420 0.220 18091
2960 1 8 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.236 0.454 18091
2961 1 8 . 1 1 45 45 LEU H H 563 7.510 7.510 7.388 0.122 18091
2962 1 8 . 1 1 46 46 GLN N N 564 115.510 115.510 119.274 -3.764 18091
2963 1 8 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.956 -0.096 18091
2964 1 8 . 1 1 46 46 GLN C C 564 178.300 178.300 178.360 -0.060 18091
2965 1 8 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.479 -0.759 18091
2966 1 8 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.316 -0.296 18091
2967 1 8 . 1 1 46 46 GLN H H 564 7.510 7.510 7.621 -0.111 18091
2968 1 8 . 1 1 47 47 GLU N N 565 117.680 117.680 118.672 -0.992 18091
2969 1 8 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.939 -0.039 18091
2970 1 8 . 1 1 47 47 GLU C C 565 179.070 179.070 179.081 -0.011 18091
2971 1 8 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.965 -0.585 18091
2972 1 8 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.960 0.030 18091
2973 1 8 . 1 1 47 47 GLU H H 565 7.440 7.440 7.902 -0.462 18091
2974 1 8 . 1 1 48 48 HIS N N 566 118.220 118.220 119.289 -1.069 18091
2975 1 8 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.292 0.088 18091
2976 1 8 . 1 1 48 48 HIS C C 566 177.280 177.280 176.794 0.486 18091
2977 1 8 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.695 0.165 18091
2978 1 8 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.760 1.680 18091
2979 1 8 . 1 1 48 48 HIS H H 566 7.420 7.420 7.601 -0.181 18091
2980 1 8 . 1 1 49 49 MET N N 567 115.200 115.200 117.410 -2.210 18091
2981 1 8 . 1 1 49 49 MET HA H 567 3.840 3.840 4.299 -0.459 18091
2982 1 8 . 1 1 49 49 MET C C 567 175.260 175.260 177.959 -2.699 18091
2983 1 8 . 1 1 49 49 MET CA C 567 57.840 57.840 58.510 -0.670 18091
2984 1 8 . 1 1 49 49 MET CB C 567 33.080 33.080 32.770 0.310 18091
2985 1 8 . 1 1 49 49 MET H H 567 7.710 7.710 7.869 -0.159 18091
2986 1 8 . 1 1 50 50 LYS N N 568 116.040 116.040 116.672 -0.632 18091
2987 1 8 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.027 -0.067 18091
2988 1 8 . 1 1 50 50 LYS C C 568 176.220 176.220 177.314 -1.094 18091
2989 1 8 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.633 -0.243 18091
2990 1 8 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.584 -0.364 18091
2991 1 8 . 1 1 50 50 LYS H H 568 7.140 7.140 7.598 -0.458 18091
2992 1 8 . 1 1 51 51 ASN N N 569 119.600 119.600 119.353 0.247 18091
2993 1 8 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.736 0.284 18091
2994 1 8 . 1 1 51 51 ASN C C 569 173.920 173.920 175.055 -1.135 18091
2995 1 8 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.011 -2.061 18091
2996 1 8 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.554 -0.554 18091
2997 1 8 . 1 1 51 51 ASN H H 569 7.480 7.480 7.867 -0.387 18091
2998 1 8 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.298 -0.038 18091
2999 1 8 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.869 -0.759 18091
3000 1 8 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.039 0.231 18091
3001 1 8 . 1 1 53 53 GLU N N 571 116.870 116.870 119.988 -3.118 18091
3002 1 8 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.181 -0.111 18091
3003 1 8 . 1 1 53 53 GLU C C 571 178.830 178.830 178.840 -0.010 18091
3004 1 8 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.561 -0.681 18091
3005 1 8 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.404 0.026 18091
3006 1 8 . 1 1 53 53 GLU H H 571 7.960 7.960 8.793 -0.833 18091
3007 1 8 . 1 1 54 54 VAL N N 572 118.290 118.290 119.456 -1.166 18091
3008 1 8 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.777 -0.117 18091
3009 1 8 . 1 1 54 54 VAL C C 572 177.620 177.620 177.837 -0.217 18091
3010 1 8 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.655 -0.555 18091
3011 1 8 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.639 0.571 18091
3012 1 8 . 1 1 54 54 VAL H H 572 7.330 7.330 7.780 -0.450 18091
3013 1 8 . 1 1 55 55 PHE N N 573 121.090 121.090 121.884 -0.794 18091
3014 1 8 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.168 -0.279 18091
3015 1 8 . 1 1 55 55 PHE C C 573 176.760 176.760 176.892 -0.132 18091
3016 1 8 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.689 0.541 18091
3017 1 8 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.927 -0.307 18091
3018 1 8 . 1 1 55 55 PHE H H 573 8.700 8.700 8.921 -0.221 18091
3019 1 8 . 1 1 56 56 LYS N N 574 116.910 116.910 118.652 -1.742 18091
3020 1 8 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.697 0.093 18091
3021 1 8 . 1 1 56 56 LYS C C 574 178.980 178.980 179.014 -0.034 18091
3022 1 8 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.607 -0.127 18091
3023 1 8 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.217 -0.017 18091
3024 1 8 . 1 1 56 56 LYS H H 574 7.800 7.800 7.840 -0.040 18091
3025 1 8 . 1 1 57 57 LYS N N 575 119.120 119.120 119.525 -0.405 18091
3026 1 8 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.010 -0.100 18091
3027 1 8 . 1 1 57 57 LYS C C 575 178.520 178.520 179.080 -0.560 18091
3028 1 8 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.510 0.440 18091
3029 1 8 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.404 0.656 18091
3030 1 8 . 1 1 57 57 LYS H H 575 7.170 7.170 7.267 -0.097 18091
3031 1 8 . 1 1 58 58 ILE N N 576 119.180 119.180 119.599 -0.419 18091
3032 1 8 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.639 -0.319 18091
3033 1 8 . 1 1 58 58 ILE C C 576 177.820 177.820 178.248 -0.428 18091
3034 1 8 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.481 0.049 18091
3035 1 8 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.043 -0.793 18091
3036 1 8 . 1 1 58 58 ILE H H 576 8.300 8.300 8.494 -0.194 18091
3037 1 8 . 1 1 59 59 GLN N N 577 118.000 118.000 118.557 -0.557 18091
3038 1 8 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.762 -0.092 18091
3039 1 8 . 1 1 59 59 GLN C C 577 179.250 179.250 178.515 0.735 18091
3040 1 8 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.362 -0.242 18091
3041 1 8 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.322 -0.482 18091
3042 1 8 . 1 1 59 59 GLN H H 577 8.180 8.180 7.904 0.276 18091
3043 1 8 . 1 1 60 60 THR N N 578 118.670 118.670 117.293 1.377 18091
3044 1 8 . 1 1 60 60 THR HA H 578 3.760 3.760 3.962 -0.202 18091
3045 1 8 . 1 1 60 60 THR C C 578 176.060 176.060 176.527 -0.467 18091
3046 1 8 . 1 1 60 60 THR CA C 578 66.890 66.890 66.837 0.053 18091
3047 1 8 . 1 1 60 60 THR CB C 578 68.030 68.030 68.333 -0.303 18091
3048 1 8 . 1 1 60 60 THR H H 578 7.780 7.780 7.755 0.025 18091
3049 1 8 . 1 1 61 61 LEU N N 579 120.680 120.680 120.604 0.076 18091
3050 1 8 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.034 -0.184 18091
3051 1 8 . 1 1 61 61 LEU C C 579 179.590 179.590 178.652 0.938 18091
3052 1 8 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.778 -0.128 18091
3053 1 8 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.402 -0.422 18091
3054 1 8 . 1 1 61 61 LEU H H 579 7.620 7.620 7.453 0.167 18091
3055 1 8 . 1 1 62 62 ILE N N 580 122.880 122.880 120.311 2.569 18091
3056 1 8 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.755 0.275 18091
3057 1 8 . 1 1 62 62 ILE C C 580 180.260 180.260 179.011 1.249 18091
3058 1 8 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.015 -0.285 18091
3059 1 8 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.754 0.556 18091
3060 1 8 . 1 1 62 62 ILE H H 580 8.540 8.540 7.572 0.968 18091
3061 1 8 . 1 1 63 63 ALA N N 581 124.510 124.510 122.823 1.687 18091
3062 1 8 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.056 -0.086 18091
3063 1 8 . 1 1 63 63 ALA C C 581 179.000 179.000 178.795 0.205 18091
3064 1 8 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.741 0.099 18091
3065 1 8 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.359 -0.859 18091
3066 1 8 . 1 1 63 63 ALA H H 581 8.120 8.120 8.168 -0.048 18091
3067 1 8 . 1 1 64 64 ALA N N 582 116.250 116.250 118.673 -2.423 18091
3068 1 8 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.290 -0.150 18091
3069 1 8 . 1 1 64 64 ALA C C 582 177.040 177.040 177.720 -0.680 18091
3070 1 8 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.703 0.477 18091
3071 1 8 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.902 0.958 18091
3072 1 8 . 1 1 64 64 ALA H H 582 7.470 7.470 7.554 -0.084 18091
3073 1 8 . 1 1 65 65 GLY N N 583 104.540 104.540 106.687 -2.147 18091
3074 1 8 . 1 1 65 65 GLY C C 583 174.180 174.180 174.964 -0.784 18091
3075 1 8 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.874 -1.084 18091
3076 1 8 . 1 1 65 65 GLY H H 583 7.600 7.600 7.649 -0.049 18091
3077 1 8 . 1 1 66 66 ILE N N 584 118.630 118.630 117.667 0.963 18091
3078 1 8 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.113 -0.353 18091
3079 1 8 . 1 1 66 66 ILE C C 584 175.660 175.660 175.649 0.011 18091
3080 1 8 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.453 -0.903 18091
3081 1 8 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.858 -1.248 18091
3082 1 8 . 1 1 66 66 ILE H H 584 7.590 7.590 7.697 -0.107 18091
3083 1 8 . 1 1 67 67 ILE N N 585 116.360 116.360 119.298 -2.938 18091
3084 1 8 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.337 -0.167 18091
3085 1 8 . 1 1 67 67 ILE C C 585 174.370 174.370 174.750 -0.380 18091
3086 1 8 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.127 -0.647 18091
3087 1 8 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.761 -1.131 18091
3088 1 8 . 1 1 67 67 ILE H H 585 6.490 6.490 7.356 -0.866 18091
3089 1 8 . 1 1 68 68 ARG N N 586 125.450 125.450 125.978 -0.528 18091
3090 1 8 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.578 -0.198 18091
3091 1 8 . 1 1 68 68 ARG C C 586 175.720 175.720 175.780 -0.060 18091
3092 1 8 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.093 -1.173 18091
3093 1 8 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.446 0.874 18091
3094 1 8 . 1 1 68 68 ARG H H 586 8.500 8.500 8.602 -0.102 18091
3095 1 8 . 1 1 69 69 THR N N 587 113.710 113.710 114.087 -0.377 18091
3096 1 8 . 1 1 69 69 THR HA H 587 4.300 4.300 4.790 -0.490 18091
3097 1 8 . 1 1 69 69 THR C C 587 174.760 174.760 174.314 0.446 18091
3098 1 8 . 1 1 69 69 THR CA C 587 61.300 61.300 61.284 0.016 18091
3099 1 8 . 1 1 69 69 THR CB C 587 69.720 69.720 70.633 -0.913 18091
3100 1 8 . 1 1 69 69 THR H H 587 8.250 8.250 8.411 -0.161 18091
3101 1 8 . 1 1 70 70 GLY N N 588 110.720 110.720 109.305 1.415 18091
3102 1 8 . 1 1 70 70 GLY C C 588 172.820 172.820 173.183 -0.363 18091
3103 1 8 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.322 0.838 18091
3104 1 8 . 1 1 70 70 GLY H H 588 8.230 8.230 8.842 -0.612 18091
3105 1 9 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.649 -0.419 18091
3106 1 9 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.693 0.557 18091
3107 1 9 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.407 -0.447 18091
3108 1 9 . 1 1 3 3 GLY N N 521 109.400 109.400 107.336 2.064 18091
3109 1 9 . 1 1 3 3 GLY C C 521 174.300 174.300 175.340 -1.040 18091
3110 1 9 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.935 0.244 18091
3111 1 9 . 1 1 3 3 GLY H H 521 8.490 8.490 8.197 0.293 18091
3112 1 9 . 1 1 4 4 THR N N 522 112.480 112.480 111.939 0.541 18091
3113 1 9 . 1 1 4 4 THR HA H 522 4.300 4.300 4.244 0.056 18091
3114 1 9 . 1 1 4 4 THR C C 522 174.690 174.690 175.903 -1.213 18091
3115 1 9 . 1 1 4 4 THR CA C 522 61.240 61.240 63.550 -2.310 18091
3116 1 9 . 1 1 4 4 THR CB C 522 69.960 69.960 69.103 0.857 18091
3117 1 9 . 1 1 4 4 THR H H 522 7.860 7.860 8.018 -0.158 18091
3118 1 9 . 1 1 5 5 SER N N 523 117.450 117.450 117.113 0.337 18091
3119 1 9 . 1 1 5 5 SER HA H 523 3.890 3.890 4.245 -0.355 18091
3120 1 9 . 1 1 5 5 SER C C 523 173.320 173.320 173.993 -0.673 18091
3121 1 9 . 1 1 5 5 SER CA C 523 58.460 58.460 59.835 -1.375 18091
3122 1 9 . 1 1 5 5 SER CB C 523 63.690 63.690 63.315 0.375 18091
3123 1 9 . 1 1 5 5 SER H H 523 8.300 8.300 7.944 0.356 18091
3124 1 9 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.849 -0.499 18091
3125 1 9 . 1 1 6 6 ASN C C 524 174.670 174.670 173.644 1.026 18091
3126 1 9 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.999 0.061 18091
3127 1 9 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.910 -0.200 18091
3128 1 9 . 1 1 7 7 GLU N N 525 120.970 120.970 122.631 -1.661 18091
3129 1 9 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.435 -0.095 18091
3130 1 9 . 1 1 7 7 GLU C C 525 176.900 176.900 174.846 2.054 18091
3131 1 9 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.944 0.096 18091
3132 1 9 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.269 -1.199 18091
3133 1 9 . 1 1 7 7 GLU H H 525 7.970 7.970 8.363 -0.393 18091
3134 1 9 . 1 1 8 8 THR N N 526 116.960 116.960 113.586 3.374 18091
3135 1 9 . 1 1 8 8 THR HA H 526 4.540 4.540 4.053 0.487 18091
3136 1 9 . 1 1 8 8 THR C C 526 173.410 173.410 173.953 -0.543 18091
3137 1 9 . 1 1 8 8 THR CA C 526 60.080 60.080 63.613 -3.533 18091
3138 1 9 . 1 1 8 8 THR CB C 526 68.500 68.500 66.664 1.836 18091
3139 1 9 . 1 1 8 8 THR H H 526 8.630 8.630 8.205 0.425 18091
3140 1 9 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.186 0.004 18091
3141 1 9 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.227 -0.117 18091
3142 1 9 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.801 -0.221 18091
3143 1 9 . 1 1 10 10 GLU N N 528 118.610 118.610 117.496 1.114 18091
3144 1 9 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.943 0.037 18091
3145 1 9 . 1 1 10 10 GLU C C 528 178.550 178.550 178.473 0.077 18091
3146 1 9 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.421 0.159 18091
3147 1 9 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.161 -0.171 18091
3148 1 9 . 1 1 10 10 GLU H H 528 8.550 8.550 8.860 -0.310 18091
3149 1 9 . 1 1 11 11 GLU N N 529 121.090 121.090 118.558 2.532 18091
3150 1 9 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.099 -0.169 18091
3151 1 9 . 1 1 11 11 GLU C C 529 179.470 179.470 178.525 0.945 18091
3152 1 9 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.768 -0.818 18091
3153 1 9 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.489 -0.009 18091
3154 1 9 . 1 1 11 11 GLU H H 529 7.870 7.870 8.359 -0.489 18091
3155 1 9 . 1 1 12 12 THR N N 530 118.050 118.050 117.045 1.005 18091
3156 1 9 . 1 1 12 12 THR HA H 530 3.750 3.750 4.042 -0.292 18091
3157 1 9 . 1 1 12 12 THR C C 530 175.770 175.770 176.764 -0.994 18091
3158 1 9 . 1 1 12 12 THR CA C 530 66.320 66.320 66.835 -0.515 18091
3159 1 9 . 1 1 12 12 THR CB C 530 68.430 68.430 68.333 0.097 18091
3160 1 9 . 1 1 12 12 THR H H 530 8.390 8.390 7.455 0.935 18091
3161 1 9 . 1 1 13 13 TYR N N 531 122.280 122.280 120.852 1.428 18091
3162 1 9 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.059 -0.239 18091
3163 1 9 . 1 1 13 13 TYR C C 531 176.420 176.420 178.230 -1.810 18091
3164 1 9 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.159 -0.719 18091
3165 1 9 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.593 0.517 18091
3166 1 9 . 1 1 13 13 TYR H H 531 8.050 8.050 8.082 -0.032 18091
3167 1 9 . 1 1 14 14 GLN N N 532 116.250 116.250 118.101 -1.851 18091
3168 1 9 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.913 -0.223 18091
3169 1 9 . 1 1 14 14 GLN C C 532 178.800 178.800 178.333 0.467 18091
3170 1 9 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.010 -0.390 18091
3171 1 9 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.474 -0.414 18091
3172 1 9 . 1 1 14 14 GLN H H 532 8.010 8.010 7.911 0.099 18091
3173 1 9 . 1 1 15 15 ARG N N 533 118.730 118.730 119.713 -0.983 18091
3174 1 9 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.008 -0.088 18091
3175 1 9 . 1 1 15 15 ARG C C 533 179.030 179.030 178.975 0.055 18091
3176 1 9 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.129 0.011 18091
3177 1 9 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.211 -0.411 18091
3178 1 9 . 1 1 15 15 ARG H H 533 7.800 7.800 7.820 -0.020 18091
3179 1 9 . 1 1 16 16 ALA N N 534 123.500 123.500 121.931 1.569 18091
3180 1 9 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.076 -0.116 18091
3181 1 9 . 1 1 16 16 ALA C C 534 178.860 178.860 179.898 -1.038 18091
3182 1 9 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.726 -0.056 18091
3183 1 9 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.172 0.558 18091
3184 1 9 . 1 1 16 16 ALA H H 534 8.210 8.210 7.981 0.229 18091
3185 1 9 . 1 1 17 17 MET N N 535 111.910 111.910 116.308 -4.398 18091
3186 1 9 . 1 1 17 17 MET HA H 535 4.020 4.020 4.202 -0.182 18091
3187 1 9 . 1 1 17 17 MET C C 535 176.890 176.890 177.292 -0.402 18091
3188 1 9 . 1 1 17 17 MET CA C 535 55.200 55.200 57.612 -2.412 18091
3189 1 9 . 1 1 17 17 MET CB C 535 31.110 31.110 32.588 -1.478 18091
3190 1 9 . 1 1 17 17 MET H H 535 7.480 7.480 7.933 -0.453 18091
3191 1 9 . 1 1 18 18 LYS N N 536 116.840 116.840 117.325 -0.485 18091
3192 1 9 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.199 -0.209 18091
3193 1 9 . 1 1 18 18 LYS C C 536 176.690 176.690 176.405 0.285 18091
3194 1 9 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.879 -0.289 18091
3195 1 9 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.578 -0.238 18091
3196 1 9 . 1 1 18 18 LYS H H 536 7.180 7.180 7.325 -0.145 18091
3197 1 9 . 1 1 19 19 ASP N N 537 122.680 122.680 121.325 1.355 18091
3198 1 9 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.891 -0.091 18091
3199 1 9 . 1 1 19 19 ASP C C 537 174.720 174.720 175.302 -0.582 18091
3200 1 9 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.238 -0.148 18091
3201 1 9 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.363 0.607 18091
3202 1 9 . 1 1 19 19 ASP H H 537 7.530 7.530 7.640 -0.110 18091
3203 1 9 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.226 -0.086 18091
3204 1 9 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.055 -0.305 18091
3205 1 9 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.039 0.081 18091
3206 1 9 . 1 1 21 21 GLU N N 539 118.590 118.590 117.819 0.771 18091
3207 1 9 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.071 -0.061 18091
3208 1 9 . 1 1 21 21 GLU C C 539 179.010 179.010 178.940 0.070 18091
3209 1 9 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.310 -0.461 18091
3210 1 9 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.051 0.289 18091
3211 1 9 . 1 1 21 21 GLU H H 539 8.200 8.200 8.537 -0.337 18091
3212 1 9 . 1 1 22 22 VAL N N 540 120.690 120.690 120.715 -0.025 18091
3213 1 9 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.499 -0.269 18091
3214 1 9 . 1 1 22 22 VAL C C 540 177.740 177.740 177.752 -0.012 18091
3215 1 9 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.338 -0.248 18091
3216 1 9 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.473 -0.123 18091
3217 1 9 . 1 1 22 22 VAL H H 540 7.350 7.350 7.581 -0.231 18091
3218 1 9 . 1 1 23 23 ALA N N 541 121.460 121.460 122.041 -0.581 18091
3219 1 9 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.909 -0.139 18091
3220 1 9 . 1 1 23 23 ALA C C 541 179.660 179.660 179.136 0.524 18091
3221 1 9 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.194 0.196 18091
3222 1 9 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.084 -0.374 18091
3223 1 9 . 1 1 23 23 ALA H H 541 8.430 8.430 7.660 0.770 18091
3224 1 9 . 1 1 24 24 ALA N N 542 117.000 117.000 120.665 -3.665 18091
3225 1 9 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.031 -0.091 18091
3226 1 9 . 1 1 24 24 ALA C C 542 180.880 180.880 179.542 1.338 18091
3227 1 9 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.602 0.098 18091
3228 1 9 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.584 -0.634 18091
3229 1 9 . 1 1 24 24 ALA H H 542 7.380 7.380 7.661 -0.281 18091
3230 1 9 . 1 1 25 25 ILE N N 543 119.750 119.750 118.124 1.626 18091
3231 1 9 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.716 -0.026 18091
3232 1 9 . 1 1 25 25 ILE C C 543 177.450 177.450 178.442 -0.992 18091
3233 1 9 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.974 -0.014 18091
3234 1 9 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.228 0.052 18091
3235 1 9 . 1 1 25 25 ILE H H 543 7.380 7.380 7.602 -0.222 18091
3236 1 9 . 1 1 26 26 MET N N 544 113.830 113.830 116.852 -3.022 18091
3237 1 9 . 1 1 26 26 MET HA H 544 4.140 4.140 4.100 0.040 18091
3238 1 9 . 1 1 26 26 MET C C 544 177.680 177.680 177.769 -0.089 18091
3239 1 9 . 1 1 26 26 MET CA C 544 55.660 55.660 58.428 -2.768 18091
3240 1 9 . 1 1 26 26 MET CB C 544 30.690 30.690 32.364 -1.674 18091
3241 1 9 . 1 1 26 26 MET H H 544 7.870 7.870 8.045 -0.175 18091
3242 1 9 . 1 1 27 27 GLN N N 545 115.210 115.210 116.080 -0.870 18091
3243 1 9 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.283 -0.203 18091
3244 1 9 . 1 1 27 27 GLN C C 545 175.170 175.170 175.845 -0.675 18091
3245 1 9 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.101 -0.661 18091
3246 1 9 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.124 -0.134 18091
3247 1 9 . 1 1 27 27 GLN H H 545 7.340 7.340 7.428 -0.088 18091
3248 1 9 . 1 1 28 28 ASP N N 546 123.270 123.270 119.958 3.312 18091
3249 1 9 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.025 -0.305 18091
3250 1 9 . 1 1 28 28 ASP C C 546 175.220 175.220 175.239 -0.019 18091
3251 1 9 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.741 0.599 18091
3252 1 9 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.507 -0.127 18091
3253 1 9 . 1 1 28 28 ASP H H 546 7.320 7.320 8.030 -0.710 18091
3254 1 9 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.366 -0.246 18091
3255 1 9 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.961 0.959 18091
3256 1 9 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.575 -0.315 18091
3257 1 9 . 1 1 30 30 VAL N N 548 119.870 119.870 119.178 0.692 18091
3258 1 9 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.611 -0.031 18091
3259 1 9 . 1 1 30 30 VAL C C 548 179.010 179.010 177.681 1.329 18091
3260 1 9 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.277 -0.277 18091
3261 1 9 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.622 -0.511 18091
3262 1 9 . 1 1 30 30 VAL H H 548 8.000 8.000 7.789 0.211 18091
3263 1 9 . 1 1 31 31 MET N N 549 118.270 118.270 116.320 1.950 18091
3264 1 9 . 1 1 31 31 MET HA H 549 4.340 4.340 3.997 0.343 18091
3265 1 9 . 1 1 31 31 MET C C 549 178.830 178.830 178.058 0.772 18091
3266 1 9 . 1 1 31 31 MET CA C 549 55.140 55.140 58.928 -3.788 18091
3267 1 9 . 1 1 31 31 MET CB C 549 28.840 28.840 32.180 -3.340 18091
3268 1 9 . 1 1 31 31 MET H H 549 7.250 7.250 7.489 -0.239 18091
3269 1 9 . 1 1 32 32 GLN N N 550 118.190 118.190 120.075 -1.885 18091
3270 1 9 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.963 -0.223 18091
3271 1 9 . 1 1 32 32 GLN C C 550 178.840 178.840 178.374 0.466 18091
3272 1 9 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.306 0.114 18091
3273 1 9 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.416 -0.756 18091
3274 1 9 . 1 1 32 32 GLN H H 550 8.310 8.310 7.843 0.467 18091
3275 1 9 . 1 1 33 33 SER N N 551 114.010 114.010 115.980 -1.970 18091
3276 1 9 . 1 1 33 33 SER HA H 551 4.140 4.140 4.156 -0.016 18091
3277 1 9 . 1 1 33 33 SER C C 551 176.840 176.840 176.851 -0.011 18091
3278 1 9 . 1 1 33 33 SER CA C 551 61.330 61.330 62.340 -1.010 18091
3279 1 9 . 1 1 33 33 SER CB C 551 62.450 62.450 63.002 -0.552 18091
3280 1 9 . 1 1 33 33 SER H H 551 7.570 7.570 7.595 -0.025 18091
3281 1 9 . 1 1 34 34 ILE N N 552 123.490 123.490 122.206 1.284 18091
3282 1 9 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.510 -0.230 18091
3283 1 9 . 1 1 34 34 ILE C C 552 177.630 177.630 177.704 -0.074 18091
3284 1 9 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.943 0.737 18091
3285 1 9 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.378 0.342 18091
3286 1 9 . 1 1 34 34 ILE H H 552 7.600 7.600 7.494 0.106 18091
3287 1 9 . 1 1 35 35 LEU N N 553 119.520 119.520 119.607 -0.087 18091
3288 1 9 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.803 -0.053 18091
3289 1 9 . 1 1 35 35 LEU C C 553 179.440 179.440 179.205 0.235 18091
3290 1 9 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.079 -0.129 18091
3291 1 9 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.304 -0.605 18091
3292 1 9 . 1 1 35 35 LEU H H 553 8.330 8.330 7.827 0.503 18091
3293 1 9 . 1 1 36 36 GLN N N 554 118.590 118.590 117.257 1.333 18091
3294 1 9 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.853 0.067 18091
3295 1 9 . 1 1 36 36 GLN C C 554 178.560 178.560 178.658 -0.098 18091
3296 1 9 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.116 -0.456 18091
3297 1 9 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.429 -0.369 18091
3298 1 9 . 1 1 36 36 GLN H H 554 7.800 7.800 7.907 -0.107 18091
3299 1 9 . 1 1 37 37 GLN N N 555 119.520 119.520 119.685 -0.165 18091
3300 1 9 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.082 -0.152 18091
3301 1 9 . 1 1 37 37 GLN C C 555 178.400 178.400 178.139 0.261 18091
3302 1 9 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.491 0.039 18091
3303 1 9 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.425 0.365 18091
3304 1 9 . 1 1 37 37 GLN H H 555 7.990 7.990 7.985 0.005 18091
3305 1 9 . 1 1 38 38 ALA N N 556 120.730 120.730 121.482 -0.752 18091
3306 1 9 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.399 -0.289 18091
3307 1 9 . 1 1 38 38 ALA C C 556 178.310 178.310 179.638 -1.328 18091
3308 1 9 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.742 -1.242 18091
3309 1 9 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.318 0.052 18091
3310 1 9 . 1 1 38 38 ALA H H 556 8.310 8.310 7.917 0.393 18091
3311 1 9 . 1 1 39 39 GLN N N 557 115.600 115.600 118.048 -2.448 18091
3312 1 9 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.047 -0.087 18091
3313 1 9 . 1 1 39 39 GLN C C 557 177.260 177.260 178.606 -1.346 18091
3314 1 9 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.412 -0.492 18091
3315 1 9 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.587 -0.107 18091
3316 1 9 . 1 1 39 39 GLN H H 557 7.530 7.530 7.774 -0.244 18091
3317 1 9 . 1 1 40 40 GLN N N 558 115.310 115.310 116.990 -1.680 18091
3318 1 9 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.147 0.033 18091
3319 1 9 . 1 1 40 40 GLN C C 558 176.030 176.030 176.551 -0.521 18091
3320 1 9 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.640 -1.090 18091
3321 1 9 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.809 -0.489 18091
3322 1 9 . 1 1 40 40 GLN H H 558 7.350 7.350 7.639 -0.289 18091
3323 1 9 . 1 1 41 41 ASN N N 559 114.850 114.850 115.338 -0.488 18091
3324 1 9 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.118 -0.168 18091
3325 1 9 . 1 1 41 41 ASN C C 559 172.420 172.420 173.298 -0.878 18091
3326 1 9 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.339 -0.909 18091
3327 1 9 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.174 -2.294 18091
3328 1 9 . 1 1 41 41 ASN H H 559 7.900 7.900 8.079 -0.179 18091
3329 1 9 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.648 -0.318 18091
3330 1 9 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.584 0.416 18091
3331 1 9 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.220 -0.540 18091
3332 1 9 . 1 1 43 43 ALA N N 561 119.920 119.920 120.506 -0.586 18091
3333 1 9 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.180 -0.050 18091
3334 1 9 . 1 1 43 43 ALA C C 561 179.510 179.510 178.997 0.513 18091
3335 1 9 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.321 -0.271 18091
3336 1 9 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.206 -0.156 18091
3337 1 9 . 1 1 43 43 ALA H H 561 7.850 7.850 7.851 -0.001 18091
3338 1 9 . 1 1 44 44 ALA N N 562 120.790 120.790 121.777 -0.987 18091
3339 1 9 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.108 -0.088 18091
3340 1 9 . 1 1 44 44 ALA C C 562 179.570 179.570 179.999 -0.429 18091
3341 1 9 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.367 -1.247 18091
3342 1 9 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.331 -0.131 18091
3343 1 9 . 1 1 44 44 ALA H H 562 7.980 7.980 7.761 0.219 18091
3344 1 9 . 1 1 45 45 LEU N N 563 116.420 116.420 116.629 -0.209 18091
3345 1 9 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.395 -0.415 18091
3346 1 9 . 1 1 45 45 LEU C C 563 178.220 178.220 178.763 -0.543 18091
3347 1 9 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.673 0.967 18091
3348 1 9 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.463 1.227 18091
3349 1 9 . 1 1 45 45 LEU H H 563 7.510 7.510 7.845 -0.335 18091
3350 1 9 . 1 1 46 46 GLN N N 564 115.510 115.510 119.734 -4.224 18091
3351 1 9 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.953 -0.093 18091
3352 1 9 . 1 1 46 46 GLN C C 564 178.300 178.300 178.518 -0.218 18091
3353 1 9 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.361 -0.641 18091
3354 1 9 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.515 -0.495 18091
3355 1 9 . 1 1 46 46 GLN H H 564 7.510 7.510 7.908 -0.398 18091
3356 1 9 . 1 1 47 47 GLU N N 565 117.680 117.680 118.320 -0.640 18091
3357 1 9 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.970 -0.070 18091
3358 1 9 . 1 1 47 47 GLU C C 565 179.070 179.070 179.181 -0.111 18091
3359 1 9 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.886 -0.506 18091
3360 1 9 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.040 -0.050 18091
3361 1 9 . 1 1 47 47 GLU H H 565 7.440 7.440 7.898 -0.458 18091
3362 1 9 . 1 1 48 48 HIS N N 566 118.220 118.220 119.791 -1.571 18091
3363 1 9 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.312 0.068 18091
3364 1 9 . 1 1 48 48 HIS C C 566 177.280 177.280 177.038 0.242 18091
3365 1 9 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.239 -0.378 18091
3366 1 9 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.807 1.633 18091
3367 1 9 . 1 1 48 48 HIS H H 566 7.420 7.420 7.520 -0.100 18091
3368 1 9 . 1 1 49 49 MET N N 567 115.200 115.200 117.059 -1.859 18091
3369 1 9 . 1 1 49 49 MET HA H 567 3.840 3.840 4.329 -0.489 18091
3370 1 9 . 1 1 49 49 MET C C 567 175.260 175.260 177.409 -2.149 18091
3371 1 9 . 1 1 49 49 MET CA C 567 57.840 57.840 58.410 -0.570 18091
3372 1 9 . 1 1 49 49 MET CB C 567 33.080 33.080 32.852 0.228 18091
3373 1 9 . 1 1 49 49 MET H H 567 7.710 7.710 7.802 -0.092 18091
3374 1 9 . 1 1 50 50 LYS N N 568 116.040 116.040 116.161 -0.121 18091
3375 1 9 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.043 -0.083 18091
3376 1 9 . 1 1 50 50 LYS C C 568 176.220 176.220 177.299 -1.079 18091
3377 1 9 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.538 -0.148 18091
3378 1 9 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.374 -0.154 18091
3379 1 9 . 1 1 50 50 LYS H H 568 7.140 7.140 7.464 -0.324 18091
3380 1 9 . 1 1 51 51 ASN N N 569 119.600 119.600 118.588 1.012 18091
3381 1 9 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.817 0.203 18091
3382 1 9 . 1 1 51 51 ASN C C 569 173.920 173.920 175.159 -1.239 18091
3383 1 9 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.186 -2.236 18091
3384 1 9 . 1 1 51 51 ASN CB C 569 39.000 39.000 40.149 -1.149 18091
3385 1 9 . 1 1 51 51 ASN H H 569 7.480 7.480 7.485 -0.005 18091
3386 1 9 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.382 -0.122 18091
3387 1 9 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.686 -0.576 18091
3388 1 9 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.208 0.062 18091
3389 1 9 . 1 1 53 53 GLU N N 571 116.870 116.870 118.583 -1.713 18091
3390 1 9 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.152 -0.082 18091
3391 1 9 . 1 1 53 53 GLU C C 571 178.830 178.830 179.025 -0.195 18091
3392 1 9 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.338 -0.458 18091
3393 1 9 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.585 -0.155 18091
3394 1 9 . 1 1 53 53 GLU H H 571 7.960 7.960 8.371 -0.411 18091
3395 1 9 . 1 1 54 54 VAL N N 572 118.290 118.290 119.245 -0.955 18091
3396 1 9 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.799 -0.139 18091
3397 1 9 . 1 1 54 54 VAL C C 572 177.620 177.620 177.847 -0.227 18091
3398 1 9 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.093 -0.993 18091
3399 1 9 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.472 0.738 18091
3400 1 9 . 1 1 54 54 VAL H H 572 7.330 7.330 7.742 -0.412 18091
3401 1 9 . 1 1 55 55 PHE N N 573 121.090 121.090 122.110 -1.020 18091
3402 1 9 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.013 -0.123 18091
3403 1 9 . 1 1 55 55 PHE C C 573 176.760 176.760 176.959 -0.199 18091
3404 1 9 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.062 0.168 18091
3405 1 9 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.774 -0.154 18091
3406 1 9 . 1 1 55 55 PHE H H 573 8.700 8.700 8.501 0.199 18091
3407 1 9 . 1 1 56 56 LYS N N 574 116.910 116.910 119.696 -2.786 18091
3408 1 9 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.778 0.012 18091
3409 1 9 . 1 1 56 56 LYS C C 574 178.980 178.980 178.675 0.305 18091
3410 1 9 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.950 -0.470 18091
3411 1 9 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.379 -0.179 18091
3412 1 9 . 1 1 56 56 LYS H H 574 7.800 7.800 7.809 -0.009 18091
3413 1 9 . 1 1 57 57 LYS N N 575 119.120 119.120 118.962 0.158 18091
3414 1 9 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.988 -0.078 18091
3415 1 9 . 1 1 57 57 LYS C C 575 178.520 178.520 179.092 -0.572 18091
3416 1 9 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.473 0.477 18091
3417 1 9 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.252 0.808 18091
3418 1 9 . 1 1 57 57 LYS H H 575 7.170 7.170 7.292 -0.122 18091
3419 1 9 . 1 1 58 58 ILE N N 576 119.180 119.180 119.143 0.037 18091
3420 1 9 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.691 -0.371 18091
3421 1 9 . 1 1 58 58 ILE C C 576 177.820 177.820 178.184 -0.364 18091
3422 1 9 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.831 0.699 18091
3423 1 9 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.799 -0.549 18091
3424 1 9 . 1 1 58 58 ILE H H 576 8.300 8.300 8.467 -0.167 18091
3425 1 9 . 1 1 59 59 GLN N N 577 118.000 118.000 118.628 -0.628 18091
3426 1 9 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.733 -0.063 18091
3427 1 9 . 1 1 59 59 GLN C C 577 179.250 179.250 178.492 0.758 18091
3428 1 9 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.289 -0.169 18091
3429 1 9 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.254 -0.414 18091
3430 1 9 . 1 1 59 59 GLN H H 577 8.180 8.180 7.790 0.390 18091
3431 1 9 . 1 1 60 60 THR N N 578 118.670 118.670 116.615 2.055 18091
3432 1 9 . 1 1 60 60 THR HA H 578 3.760 3.760 3.971 -0.211 18091
3433 1 9 . 1 1 60 60 THR C C 578 176.060 176.060 176.561 -0.501 18091
3434 1 9 . 1 1 60 60 THR CA C 578 66.890 66.890 66.513 0.377 18091
3435 1 9 . 1 1 60 60 THR CB C 578 68.030 68.030 68.265 -0.235 18091
3436 1 9 . 1 1 60 60 THR H H 578 7.780 7.780 7.572 0.208 18091
3437 1 9 . 1 1 61 61 LEU N N 579 120.680 120.680 120.645 0.035 18091
3438 1 9 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.923 -0.073 18091
3439 1 9 . 1 1 61 61 LEU C C 579 179.590 179.590 178.809 0.781 18091
3440 1 9 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.663 -0.013 18091
3441 1 9 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.104 -0.124 18091
3442 1 9 . 1 1 61 61 LEU H H 579 7.620 7.620 7.289 0.331 18091
3443 1 9 . 1 1 62 62 ILE N N 580 122.880 122.880 120.407 2.473 18091
3444 1 9 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.890 0.140 18091
3445 1 9 . 1 1 62 62 ILE C C 580 180.260 180.260 179.137 1.123 18091
3446 1 9 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.839 -0.109 18091
3447 1 9 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.668 0.642 18091
3448 1 9 . 1 1 62 62 ILE H H 580 8.540 8.540 7.603 0.937 18091
3449 1 9 . 1 1 63 63 ALA N N 581 124.510 124.510 122.776 1.734 18091
3450 1 9 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.001 -0.031 18091
3451 1 9 . 1 1 63 63 ALA C C 581 179.000 179.000 178.669 0.331 18091
3452 1 9 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.823 0.017 18091
3453 1 9 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.099 -0.599 18091
3454 1 9 . 1 1 63 63 ALA H H 581 8.120 8.120 8.036 0.084 18091
3455 1 9 . 1 1 64 64 ALA N N 582 116.250 116.250 117.701 -1.451 18091
3456 1 9 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.087 0.053 18091
3457 1 9 . 1 1 64 64 ALA C C 582 177.040 177.040 177.447 -0.407 18091
3458 1 9 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.015 0.165 18091
3459 1 9 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.280 0.580 18091
3460 1 9 . 1 1 64 64 ALA H H 582 7.470 7.470 7.332 0.138 18091
3461 1 9 . 1 1 65 65 GLY N N 583 104.540 104.540 105.923 -1.383 18091
3462 1 9 . 1 1 65 65 GLY C C 583 174.180 174.180 174.936 -0.756 18091
3463 1 9 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.052 -1.262 18091
3464 1 9 . 1 1 65 65 GLY H H 583 7.600 7.600 7.775 -0.175 18091
3465 1 9 . 1 1 66 66 ILE N N 584 118.630 118.630 117.267 1.363 18091
3466 1 9 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.637 0.123 18091
3467 1 9 . 1 1 66 66 ILE C C 584 175.660 175.660 175.379 0.281 18091
3468 1 9 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.338 -0.788 18091
3469 1 9 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.325 -0.715 18091
3470 1 9 . 1 1 66 66 ILE H H 584 7.590 7.590 7.654 -0.064 18091
3471 1 9 . 1 1 67 67 ILE N N 585 116.360 116.360 118.785 -2.425 18091
3472 1 9 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.313 -0.143 18091
3473 1 9 . 1 1 67 67 ILE C C 585 174.370 174.370 174.517 -0.147 18091
3474 1 9 . 1 1 67 67 ILE CA C 585 59.480 59.480 59.955 -0.475 18091
3475 1 9 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.015 -1.385 18091
3476 1 9 . 1 1 67 67 ILE H H 585 6.490 6.490 7.217 -0.727 18091
3477 1 9 . 1 1 68 68 ARG N N 586 125.450 125.450 125.924 -0.474 18091
3478 1 9 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.593 -0.213 18091
3479 1 9 . 1 1 68 68 ARG C C 586 175.720 175.720 175.687 0.033 18091
3480 1 9 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.023 -1.103 18091
3481 1 9 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.177 0.143 18091
3482 1 9 . 1 1 68 68 ARG H H 586 8.500 8.500 8.596 -0.096 18091
3483 1 9 . 1 1 69 69 THR N N 587 113.710 113.710 113.003 0.707 18091
3484 1 9 . 1 1 69 69 THR HA H 587 4.300 4.300 4.658 -0.358 18091
3485 1 9 . 1 1 69 69 THR C C 587 174.760 174.760 174.521 0.239 18091
3486 1 9 . 1 1 69 69 THR CA C 587 61.300 61.300 61.150 0.150 18091
3487 1 9 . 1 1 69 69 THR CB C 587 69.720 69.720 70.342 -0.622 18091
3488 1 9 . 1 1 69 69 THR H H 587 8.250 8.250 8.282 -0.032 18091
3489 1 9 . 1 1 70 70 GLY N N 588 110.720 110.720 109.342 1.378 18091
3490 1 9 . 1 1 70 70 GLY C C 588 172.820 172.820 174.217 -1.397 18091
3491 1 9 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.907 0.253 18091
3492 1 9 . 1 1 70 70 GLY H H 588 8.230 8.230 8.365 -0.135 18091
3493 1 10 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.639 -0.409 18091
3494 1 10 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.775 0.475 18091
3495 1 10 . 1 1 2 2 PRO CB C 520 31.960 31.960 33.027 -1.067 18091
3496 1 10 . 1 1 3 3 GLY N N 521 109.400 109.400 109.135 0.265 18091
3497 1 10 . 1 1 3 3 GLY C C 521 174.300 174.300 174.509 -0.209 18091
3498 1 10 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.025 0.155 18091
3499 1 10 . 1 1 3 3 GLY H H 521 8.490 8.490 8.268 0.222 18091
3500 1 10 . 1 1 4 4 THR N N 522 112.480 112.480 113.228 -0.748 18091
3501 1 10 . 1 1 4 4 THR HA H 522 4.300 4.300 4.364 -0.064 18091
3502 1 10 . 1 1 4 4 THR C C 522 174.690 174.690 175.688 -0.998 18091
3503 1 10 . 1 1 4 4 THR CA C 522 61.240 61.240 63.665 -2.425 18091
3504 1 10 . 1 1 4 4 THR CB C 522 69.960 69.960 69.262 0.698 18091
3505 1 10 . 1 1 4 4 THR H H 522 7.860 7.860 7.907 -0.047 18091
3506 1 10 . 1 1 5 5 SER N N 523 117.450 117.450 116.585 0.865 18091
3507 1 10 . 1 1 5 5 SER HA H 523 3.890 3.890 4.332 -0.442 18091
3508 1 10 . 1 1 5 5 SER C C 523 173.320 173.320 174.304 -0.984 18091
3509 1 10 . 1 1 5 5 SER CA C 523 58.460 58.460 60.123 -1.663 18091
3510 1 10 . 1 1 5 5 SER CB C 523 63.690 63.690 63.068 0.622 18091
3511 1 10 . 1 1 5 5 SER H H 523 8.300 8.300 8.116 0.184 18091
3512 1 10 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.828 -0.478 18091
3513 1 10 . 1 1 6 6 ASN C C 524 174.670 174.670 173.662 1.008 18091
3514 1 10 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.657 0.403 18091
3515 1 10 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.910 -1.200 18091
3516 1 10 . 1 1 7 7 GLU N N 525 120.970 120.970 122.032 -1.062 18091
3517 1 10 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.374 -0.034 18091
3518 1 10 . 1 1 7 7 GLU C C 525 176.900 176.900 177.077 -0.177 18091
3519 1 10 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.407 -0.367 18091
3520 1 10 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.513 0.557 18091
3521 1 10 . 1 1 7 7 GLU H H 525 7.970 7.970 8.600 -0.630 18091
3522 1 10 . 1 1 8 8 THR N N 526 116.960 116.960 116.027 0.933 18091
3523 1 10 . 1 1 8 8 THR HA H 526 4.540 4.540 4.691 -0.151 18091
3524 1 10 . 1 1 8 8 THR C C 526 173.410 173.410 174.079 -0.669 18091
3525 1 10 . 1 1 8 8 THR CA C 526 60.080 60.080 58.918 1.162 18091
3526 1 10 . 1 1 8 8 THR CB C 526 68.500 68.500 68.576 -0.076 18091
3527 1 10 . 1 1 8 8 THR H H 526 8.630 8.630 8.367 0.263 18091
3528 1 10 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.309 -0.119 18091
3529 1 10 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.713 0.397 18091
3530 1 10 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.797 -0.217 18091
3531 1 10 . 1 1 10 10 GLU N N 528 118.610 118.610 117.184 1.426 18091
3532 1 10 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.848 0.132 18091
3533 1 10 . 1 1 10 10 GLU C C 528 178.550 178.550 178.137 0.413 18091
3534 1 10 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.427 0.153 18091
3535 1 10 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.204 -0.214 18091
3536 1 10 . 1 1 10 10 GLU H H 528 8.550 8.550 8.708 -0.158 18091
3537 1 10 . 1 1 11 11 GLU N N 529 121.090 121.090 119.132 1.958 18091
3538 1 10 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.098 -0.168 18091
3539 1 10 . 1 1 11 11 GLU C C 529 179.470 179.470 178.800 0.670 18091
3540 1 10 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.323 -0.373 18091
3541 1 10 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.607 -0.127 18091
3542 1 10 . 1 1 11 11 GLU H H 529 7.870 7.870 7.588 0.282 18091
3543 1 10 . 1 1 12 12 THR N N 530 118.050 118.050 117.172 0.878 18091
3544 1 10 . 1 1 12 12 THR HA H 530 3.750 3.750 4.020 -0.270 18091
3545 1 10 . 1 1 12 12 THR C C 530 175.770 175.770 176.660 -0.890 18091
3546 1 10 . 1 1 12 12 THR CA C 530 66.320 66.320 67.225 -0.906 18091
3547 1 10 . 1 1 12 12 THR CB C 530 68.430 68.430 68.947 -0.517 18091
3548 1 10 . 1 1 12 12 THR H H 530 8.390 8.390 7.532 0.858 18091
3549 1 10 . 1 1 13 13 TYR N N 531 122.280 122.280 120.633 1.647 18091
3550 1 10 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.058 -0.238 18091
3551 1 10 . 1 1 13 13 TYR C C 531 176.420 176.420 178.242 -1.822 18091
3552 1 10 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.705 -0.265 18091
3553 1 10 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.601 0.509 18091
3554 1 10 . 1 1 13 13 TYR H H 531 8.050 8.050 8.133 -0.083 18091
3555 1 10 . 1 1 14 14 GLN N N 532 116.250 116.250 117.684 -1.434 18091
3556 1 10 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.958 -0.268 18091
3557 1 10 . 1 1 14 14 GLN C C 532 178.800 178.800 178.555 0.245 18091
3558 1 10 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.800 -0.180 18091
3559 1 10 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.225 -0.165 18091
3560 1 10 . 1 1 14 14 GLN H H 532 8.010 8.010 7.856 0.154 18091
3561 1 10 . 1 1 15 15 ARG N N 533 118.730 118.730 119.843 -1.113 18091
3562 1 10 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.023 -0.103 18091
3563 1 10 . 1 1 15 15 ARG C C 533 179.030 179.030 178.904 0.126 18091
3564 1 10 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.102 0.038 18091
3565 1 10 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.227 -0.427 18091
3566 1 10 . 1 1 15 15 ARG H H 533 7.800 7.800 7.876 -0.076 18091
3567 1 10 . 1 1 16 16 ALA N N 534 123.500 123.500 121.521 1.979 18091
3568 1 10 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.019 -0.059 18091
3569 1 10 . 1 1 16 16 ALA C C 534 178.860 178.860 179.471 -0.611 18091
3570 1 10 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.725 -0.055 18091
3571 1 10 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.387 0.343 18091
3572 1 10 . 1 1 16 16 ALA H H 534 8.210 8.210 7.985 0.225 18091
3573 1 10 . 1 1 17 17 MET N N 535 111.910 111.910 116.306 -4.396 18091
3574 1 10 . 1 1 17 17 MET HA H 535 4.020 4.020 4.192 -0.172 18091
3575 1 10 . 1 1 17 17 MET C C 535 176.890 176.890 177.420 -0.530 18091
3576 1 10 . 1 1 17 17 MET CA C 535 55.200 55.200 57.591 -2.391 18091
3577 1 10 . 1 1 17 17 MET CB C 535 31.110 31.110 32.565 -1.455 18091
3578 1 10 . 1 1 17 17 MET H H 535 7.480 7.480 7.928 -0.448 18091
3579 1 10 . 1 1 18 18 LYS N N 536 116.840 116.840 117.344 -0.504 18091
3580 1 10 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.186 -0.196 18091
3581 1 10 . 1 1 18 18 LYS C C 536 176.690 176.690 176.339 0.351 18091
3582 1 10 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.948 -0.358 18091
3583 1 10 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.482 -0.142 18091
3584 1 10 . 1 1 18 18 LYS H H 536 7.180 7.180 7.328 -0.148 18091
3585 1 10 . 1 1 19 19 ASP N N 537 122.680 122.680 120.990 1.690 18091
3586 1 10 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.899 -0.099 18091
3587 1 10 . 1 1 19 19 ASP C C 537 174.720 174.720 175.246 -0.526 18091
3588 1 10 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.066 0.024 18091
3589 1 10 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.436 0.534 18091
3590 1 10 . 1 1 19 19 ASP H H 537 7.530 7.530 7.592 -0.062 18091
3591 1 10 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.259 -0.119 18091
3592 1 10 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.909 -0.159 18091
3593 1 10 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.105 0.015 18091
3594 1 10 . 1 1 21 21 GLU N N 539 118.590 118.590 117.709 0.881 18091
3595 1 10 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.067 -0.057 18091
3596 1 10 . 1 1 21 21 GLU C C 539 179.010 179.010 178.843 0.167 18091
3597 1 10 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.001 -0.151 18091
3598 1 10 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.268 0.072 18091
3599 1 10 . 1 1 21 21 GLU H H 539 8.200 8.200 7.968 0.232 18091
3600 1 10 . 1 1 22 22 VAL N N 540 120.690 120.690 120.476 0.214 18091
3601 1 10 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.508 -0.278 18091
3602 1 10 . 1 1 22 22 VAL C C 540 177.740 177.740 177.585 0.155 18091
3603 1 10 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.273 -0.183 18091
3604 1 10 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.535 -0.185 18091
3605 1 10 . 1 1 22 22 VAL H H 540 7.350 7.350 7.520 -0.170 18091
3606 1 10 . 1 1 23 23 ALA N N 541 121.460 121.460 121.861 -0.401 18091
3607 1 10 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.898 -0.128 18091
3608 1 10 . 1 1 23 23 ALA C C 541 179.660 179.660 178.998 0.662 18091
3609 1 10 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.145 0.245 18091
3610 1 10 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.011 -0.301 18091
3611 1 10 . 1 1 23 23 ALA H H 541 8.430 8.430 7.490 0.940 18091
3612 1 10 . 1 1 24 24 ALA N N 542 117.000 117.000 121.018 -4.018 18091
3613 1 10 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.015 -0.075 18091
3614 1 10 . 1 1 24 24 ALA C C 542 180.880 180.880 179.163 1.717 18091
3615 1 10 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.824 -0.124 18091
3616 1 10 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.391 -0.441 18091
3617 1 10 . 1 1 24 24 ALA H H 542 7.380 7.380 7.597 -0.217 18091
3618 1 10 . 1 1 25 25 ILE N N 543 119.750 119.750 117.275 2.475 18091
3619 1 10 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.698 -0.008 18091
3620 1 10 . 1 1 25 25 ILE C C 543 177.450 177.450 178.811 -1.361 18091
3621 1 10 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.666 0.294 18091
3622 1 10 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.082 0.198 18091
3623 1 10 . 1 1 25 25 ILE H H 543 7.380 7.380 7.426 -0.046 18091
3624 1 10 . 1 1 26 26 MET N N 544 113.830 113.830 117.794 -3.964 18091
3625 1 10 . 1 1 26 26 MET HA H 544 4.140 4.140 4.090 0.050 18091
3626 1 10 . 1 1 26 26 MET C C 544 177.680 177.680 177.846 -0.166 18091
3627 1 10 . 1 1 26 26 MET CA C 544 55.660 55.660 58.637 -2.977 18091
3628 1 10 . 1 1 26 26 MET CB C 544 30.690 30.690 32.581 -1.891 18091
3629 1 10 . 1 1 26 26 MET H H 544 7.870 7.870 7.698 0.172 18091
3630 1 10 . 1 1 27 27 GLN N N 545 115.210 115.210 115.078 0.132 18091
3631 1 10 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.375 -0.295 18091
3632 1 10 . 1 1 27 27 GLN C C 545 175.170 175.170 175.644 -0.474 18091
3633 1 10 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.971 -0.531 18091
3634 1 10 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.212 -0.223 18091
3635 1 10 . 1 1 27 27 GLN H H 545 7.340 7.340 7.465 -0.125 18091
3636 1 10 . 1 1 28 28 ASP N N 546 123.270 123.270 119.656 3.614 18091
3637 1 10 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.022 -0.302 18091
3638 1 10 . 1 1 28 28 ASP C C 546 175.220 175.220 175.203 0.017 18091
3639 1 10 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.776 0.564 18091
3640 1 10 . 1 1 28 28 ASP CB C 546 42.380 42.380 43.124 -0.744 18091
3641 1 10 . 1 1 28 28 ASP H H 546 7.320 7.320 7.716 -0.396 18091
3642 1 10 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.368 -0.248 18091
3643 1 10 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.979 0.941 18091
3644 1 10 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.654 -0.395 18091
3645 1 10 . 1 1 30 30 VAL N N 548 119.870 119.870 119.401 0.469 18091
3646 1 10 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.661 -0.081 18091
3647 1 10 . 1 1 30 30 VAL C C 548 179.010 179.010 178.002 1.008 18091
3648 1 10 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.252 -0.252 18091
3649 1 10 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.677 -0.567 18091
3650 1 10 . 1 1 30 30 VAL H H 548 8.000 8.000 7.814 0.186 18091
3651 1 10 . 1 1 31 31 MET N N 549 118.270 118.270 116.782 1.488 18091
3652 1 10 . 1 1 31 31 MET HA H 549 4.340 4.340 3.962 0.378 18091
3653 1 10 . 1 1 31 31 MET C C 549 178.830 178.830 178.133 0.697 18091
3654 1 10 . 1 1 31 31 MET CA C 549 55.140 55.140 58.668 -3.528 18091
3655 1 10 . 1 1 31 31 MET CB C 549 28.840 28.840 32.221 -3.381 18091
3656 1 10 . 1 1 31 31 MET H H 549 7.250 7.250 7.880 -0.630 18091
3657 1 10 . 1 1 32 32 GLN N N 550 118.190 118.190 119.393 -1.203 18091
3658 1 10 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.948 -0.208 18091
3659 1 10 . 1 1 32 32 GLN C C 550 178.840 178.840 177.983 0.857 18091
3660 1 10 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.142 0.278 18091
3661 1 10 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.250 -0.590 18091
3662 1 10 . 1 1 32 32 GLN H H 550 8.310 8.310 8.358 -0.048 18091
3663 1 10 . 1 1 33 33 SER N N 551 114.010 114.010 115.537 -1.527 18091
3664 1 10 . 1 1 33 33 SER HA H 551 4.140 4.140 4.242 -0.102 18091
3665 1 10 . 1 1 33 33 SER C C 551 176.840 176.840 176.622 0.218 18091
3666 1 10 . 1 1 33 33 SER CA C 551 61.330 61.330 61.478 -0.148 18091
3667 1 10 . 1 1 33 33 SER CB C 551 62.450 62.450 63.035 -0.585 18091
3668 1 10 . 1 1 33 33 SER H H 551 7.570 7.570 7.658 -0.088 18091
3669 1 10 . 1 1 34 34 ILE N N 552 123.490 123.490 122.838 0.652 18091
3670 1 10 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.474 -0.194 18091
3671 1 10 . 1 1 34 34 ILE C C 552 177.630 177.630 177.803 -0.173 18091
3672 1 10 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.852 0.828 18091
3673 1 10 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.311 0.409 18091
3674 1 10 . 1 1 34 34 ILE H H 552 7.600 7.600 7.432 0.168 18091
3675 1 10 . 1 1 35 35 LEU N N 553 119.520 119.520 119.380 0.140 18091
3676 1 10 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.793 -0.043 18091
3677 1 10 . 1 1 35 35 LEU C C 553 179.440 179.440 179.016 0.424 18091
3678 1 10 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.031 -0.081 18091
3679 1 10 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.217 -0.517 18091
3680 1 10 . 1 1 35 35 LEU H H 553 8.330 8.330 7.737 0.593 18091
3681 1 10 . 1 1 36 36 GLN N N 554 118.590 118.590 119.120 -0.530 18091
3682 1 10 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.041 -0.121 18091
3683 1 10 . 1 1 36 36 GLN C C 554 178.560 178.560 178.731 -0.171 18091
3684 1 10 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.932 -0.272 18091
3685 1 10 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.648 -0.588 18091
3686 1 10 . 1 1 36 36 GLN H H 554 7.800 7.800 7.784 0.016 18091
3687 1 10 . 1 1 37 37 GLN N N 555 119.520 119.520 118.689 0.831 18091
3688 1 10 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.003 -0.073 18091
3689 1 10 . 1 1 37 37 GLN C C 555 178.400 178.400 178.496 -0.096 18091
3690 1 10 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.579 -0.049 18091
3691 1 10 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.611 0.179 18091
3692 1 10 . 1 1 37 37 GLN H H 555 7.990 7.990 8.023 -0.033 18091
3693 1 10 . 1 1 38 38 ALA N N 556 120.730 120.730 121.359 -0.629 18091
3694 1 10 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.356 -0.246 18091
3695 1 10 . 1 1 38 38 ALA C C 556 178.310 178.310 179.705 -1.395 18091
3696 1 10 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.790 -1.290 18091
3697 1 10 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.357 0.013 18091
3698 1 10 . 1 1 38 38 ALA H H 556 8.310 8.310 8.054 0.256 18091
3699 1 10 . 1 1 39 39 GLN N N 557 115.600 115.600 117.464 -1.864 18091
3700 1 10 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.006 -0.046 18091
3701 1 10 . 1 1 39 39 GLN C C 557 177.260 177.260 178.664 -1.404 18091
3702 1 10 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.286 -0.366 18091
3703 1 10 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.618 -0.138 18091
3704 1 10 . 1 1 39 39 GLN H H 557 7.530 7.530 7.731 -0.201 18091
3705 1 10 . 1 1 40 40 GLN N N 558 115.310 115.310 117.003 -1.693 18091
3706 1 10 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.140 0.040 18091
3707 1 10 . 1 1 40 40 GLN C C 558 176.030 176.030 176.425 -0.395 18091
3708 1 10 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.677 -1.127 18091
3709 1 10 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.869 -0.549 18091
3710 1 10 . 1 1 40 40 GLN H H 558 7.350 7.350 7.572 -0.222 18091
3711 1 10 . 1 1 41 41 ASN N N 559 114.850 114.850 114.865 -0.015 18091
3712 1 10 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.058 -0.108 18091
3713 1 10 . 1 1 41 41 ASN C C 559 172.420 172.420 173.204 -0.784 18091
3714 1 10 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.616 -1.186 18091
3715 1 10 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.269 -2.389 18091
3716 1 10 . 1 1 41 41 ASN H H 559 7.900 7.900 8.063 -0.163 18091
3717 1 10 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.605 -0.275 18091
3718 1 10 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.722 0.278 18091
3719 1 10 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.271 -0.591 18091
3720 1 10 . 1 1 43 43 ALA N N 561 119.920 119.920 120.151 -0.231 18091
3721 1 10 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.169 -0.039 18091
3722 1 10 . 1 1 43 43 ALA C C 561 179.510 179.510 179.022 0.488 18091
3723 1 10 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.310 -0.260 18091
3724 1 10 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.185 -0.135 18091
3725 1 10 . 1 1 43 43 ALA H H 561 7.850 7.850 7.631 0.219 18091
3726 1 10 . 1 1 44 44 ALA N N 562 120.790 120.790 121.767 -0.977 18091
3727 1 10 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.181 -0.161 18091
3728 1 10 . 1 1 44 44 ALA C C 562 179.570 179.570 179.779 -0.209 18091
3729 1 10 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.975 -0.855 18091
3730 1 10 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.591 -0.391 18091
3731 1 10 . 1 1 44 44 ALA H H 562 7.980 7.980 7.657 0.323 18091
3732 1 10 . 1 1 45 45 LEU N N 563 116.420 116.420 116.889 -0.469 18091
3733 1 10 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.401 -0.421 18091
3734 1 10 . 1 1 45 45 LEU C C 563 178.220 178.220 178.812 -0.592 18091
3735 1 10 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.649 0.991 18091
3736 1 10 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.446 1.244 18091
3737 1 10 . 1 1 45 45 LEU H H 563 7.510 7.510 7.855 -0.345 18091
3738 1 10 . 1 1 46 46 GLN N N 564 115.510 115.510 119.803 -4.293 18091
3739 1 10 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.940 -0.080 18091
3740 1 10 . 1 1 46 46 GLN C C 564 178.300 178.300 178.478 -0.178 18091
3741 1 10 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.412 -0.692 18091
3742 1 10 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.489 -0.469 18091
3743 1 10 . 1 1 46 46 GLN H H 564 7.510 7.510 7.950 -0.440 18091
3744 1 10 . 1 1 47 47 GLU N N 565 117.680 117.680 118.125 -0.445 18091
3745 1 10 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.959 -0.059 18091
3746 1 10 . 1 1 47 47 GLU C C 565 179.070 179.070 179.218 -0.148 18091
3747 1 10 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.867 -0.487 18091
3748 1 10 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.044 -0.054 18091
3749 1 10 . 1 1 47 47 GLU H H 565 7.440 7.440 7.821 -0.381 18091
3750 1 10 . 1 1 48 48 HIS N N 566 118.220 118.220 119.473 -1.253 18091
3751 1 10 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.375 0.005 18091
3752 1 10 . 1 1 48 48 HIS C C 566 177.280 177.280 177.752 -0.472 18091
3753 1 10 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.137 -0.277 18091
3754 1 10 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.794 1.646 18091
3755 1 10 . 1 1 48 48 HIS H H 566 7.420 7.420 7.488 -0.068 18091
3756 1 10 . 1 1 49 49 MET N N 567 115.200 115.200 118.293 -3.093 18091
3757 1 10 . 1 1 49 49 MET HA H 567 3.840 3.840 4.360 -0.520 18091
3758 1 10 . 1 1 49 49 MET C C 567 175.260 175.260 177.409 -2.149 18091
3759 1 10 . 1 1 49 49 MET CA C 567 57.840 57.840 58.718 -0.878 18091
3760 1 10 . 1 1 49 49 MET CB C 567 33.080 33.080 32.837 0.243 18091
3761 1 10 . 1 1 49 49 MET H H 567 7.710 7.710 7.954 -0.244 18091
3762 1 10 . 1 1 50 50 LYS N N 568 116.040 116.040 116.113 -0.073 18091
3763 1 10 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.091 -0.131 18091
3764 1 10 . 1 1 50 50 LYS C C 568 176.220 176.220 176.830 -0.610 18091
3765 1 10 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.380 0.009 18091
3766 1 10 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.420 -0.200 18091
3767 1 10 . 1 1 50 50 LYS H H 568 7.140 7.140 7.569 -0.428 18091
3768 1 10 . 1 1 51 51 ASN N N 569 119.600 119.600 118.176 1.424 18091
3769 1 10 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.842 0.178 18091
3770 1 10 . 1 1 51 51 ASN C C 569 173.920 173.920 175.291 -1.371 18091
3771 1 10 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.593 -1.643 18091
3772 1 10 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.920 -0.920 18091
3773 1 10 . 1 1 51 51 ASN H H 569 7.480 7.480 7.425 0.055 18091
3774 1 10 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.342 -0.082 18091
3775 1 10 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.732 -0.622 18091
3776 1 10 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.050 0.220 18091
3777 1 10 . 1 1 53 53 GLU N N 571 116.870 116.870 118.532 -1.662 18091
3778 1 10 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.153 -0.083 18091
3779 1 10 . 1 1 53 53 GLU C C 571 178.830 178.830 178.709 0.121 18091
3780 1 10 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.557 -0.677 18091
3781 1 10 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.477 -0.047 18091
3782 1 10 . 1 1 53 53 GLU H H 571 7.960 7.960 8.521 -0.561 18091
3783 1 10 . 1 1 54 54 VAL N N 572 118.290 118.290 119.057 -0.767 18091
3784 1 10 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.828 -0.168 18091
3785 1 10 . 1 1 54 54 VAL C C 572 177.620 177.620 177.792 -0.172 18091
3786 1 10 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.115 -0.015 18091
3787 1 10 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.455 0.755 18091
3788 1 10 . 1 1 54 54 VAL H H 572 7.330 7.330 7.809 -0.479 18091
3789 1 10 . 1 1 55 55 PHE N N 573 121.090 121.090 122.234 -1.144 18091
3790 1 10 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.011 -0.121 18091
3791 1 10 . 1 1 55 55 PHE C C 573 176.760 176.760 176.999 -0.239 18091
3792 1 10 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.328 -0.097 18091
3793 1 10 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.901 -0.281 18091
3794 1 10 . 1 1 55 55 PHE H H 573 8.700 8.700 8.585 0.115 18091
3795 1 10 . 1 1 56 56 LYS N N 574 116.910 116.910 119.282 -2.372 18091
3796 1 10 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.843 -0.053 18091
3797 1 10 . 1 1 56 56 LYS C C 574 178.980 178.980 178.841 0.139 18091
3798 1 10 . 1 1 56 56 LYS CA C 574 59.480 59.480 58.953 0.527 18091
3799 1 10 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.221 -0.021 18091
3800 1 10 . 1 1 56 56 LYS H H 574 7.800 7.800 7.819 -0.019 18091
3801 1 10 . 1 1 57 57 LYS N N 575 119.120 119.120 119.496 -0.376 18091
3802 1 10 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.981 -0.071 18091
3803 1 10 . 1 1 57 57 LYS C C 575 178.520 178.520 179.036 -0.516 18091
3804 1 10 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.577 0.373 18091
3805 1 10 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.415 0.645 18091
3806 1 10 . 1 1 57 57 LYS H H 575 7.170 7.170 7.279 -0.109 18091
3807 1 10 . 1 1 58 58 ILE N N 576 119.180 119.180 119.331 -0.151 18091
3808 1 10 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.736 -0.416 18091
3809 1 10 . 1 1 58 58 ILE C C 576 177.820 177.820 178.490 -0.670 18091
3810 1 10 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.212 0.318 18091
3811 1 10 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.055 -0.805 18091
3812 1 10 . 1 1 58 58 ILE H H 576 8.300 8.300 8.459 -0.159 18091
3813 1 10 . 1 1 59 59 GLN N N 577 118.000 118.000 118.309 -0.309 18091
3814 1 10 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.761 -0.091 18091
3815 1 10 . 1 1 59 59 GLN C C 577 179.250 179.250 178.529 0.721 18091
3816 1 10 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.208 -0.088 18091
3817 1 10 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.232 -0.392 18091
3818 1 10 . 1 1 59 59 GLN H H 577 8.180 8.180 7.762 0.418 18091
3819 1 10 . 1 1 60 60 THR N N 578 118.670 118.670 117.042 1.628 18091
3820 1 10 . 1 1 60 60 THR HA H 578 3.760 3.760 3.949 -0.189 18091
3821 1 10 . 1 1 60 60 THR C C 578 176.060 176.060 176.433 -0.373 18091
3822 1 10 . 1 1 60 60 THR CA C 578 66.890 66.890 66.739 0.151 18091
3823 1 10 . 1 1 60 60 THR CB C 578 68.030 68.030 68.285 -0.255 18091
3824 1 10 . 1 1 60 60 THR H H 578 7.780 7.780 7.555 0.225 18091
3825 1 10 . 1 1 61 61 LEU N N 579 120.680 120.680 120.504 0.176 18091
3826 1 10 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.009 -0.159 18091
3827 1 10 . 1 1 61 61 LEU C C 579 179.590 179.590 178.587 1.003 18091
3828 1 10 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.525 0.125 18091
3829 1 10 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.375 -0.395 18091
3830 1 10 . 1 1 61 61 LEU H H 579 7.620 7.620 7.332 0.288 18091
3831 1 10 . 1 1 62 62 ILE N N 580 122.880 122.880 120.852 2.028 18091
3832 1 10 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.725 0.305 18091
3833 1 10 . 1 1 62 62 ILE C C 580 180.260 180.260 179.150 1.110 18091
3834 1 10 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.981 -0.250 18091
3835 1 10 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.702 0.608 18091
3836 1 10 . 1 1 62 62 ILE H H 580 8.540 8.540 7.596 0.944 18091
3837 1 10 . 1 1 63 63 ALA N N 581 124.510 124.510 122.892 1.618 18091
3838 1 10 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.037 -0.067 18091
3839 1 10 . 1 1 63 63 ALA C C 581 179.000 179.000 178.772 0.228 18091
3840 1 10 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.756 0.084 18091
3841 1 10 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.320 -0.820 18091
3842 1 10 . 1 1 63 63 ALA H H 581 8.120 8.120 8.053 0.067 18091
3843 1 10 . 1 1 64 64 ALA N N 582 116.250 116.250 118.470 -2.220 18091
3844 1 10 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.226 -0.086 18091
3845 1 10 . 1 1 64 64 ALA C C 582 177.040 177.040 177.701 -0.661 18091
3846 1 10 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.880 0.300 18091
3847 1 10 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.931 0.929 18091
3848 1 10 . 1 1 64 64 ALA H H 582 7.470 7.470 7.485 -0.015 18091
3849 1 10 . 1 1 65 65 GLY N N 583 104.540 104.540 106.215 -1.675 18091
3850 1 10 . 1 1 65 65 GLY C C 583 174.180 174.180 175.086 -0.906 18091
3851 1 10 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.832 -1.042 18091
3852 1 10 . 1 1 65 65 GLY H H 583 7.600 7.600 7.584 0.016 18091
3853 1 10 . 1 1 66 66 ILE N N 584 118.630 118.630 117.323 1.307 18091
3854 1 10 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.902 -0.142 18091
3855 1 10 . 1 1 66 66 ILE C C 584 175.660 175.660 174.992 0.668 18091
3856 1 10 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.400 -0.850 18091
3857 1 10 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.505 -0.895 18091
3858 1 10 . 1 1 66 66 ILE H H 584 7.590 7.590 7.690 -0.100 18091
3859 1 10 . 1 1 67 67 ILE N N 585 116.360 116.360 117.744 -1.384 18091
3860 1 10 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.362 -0.192 18091
3861 1 10 . 1 1 67 67 ILE C C 585 174.370 174.370 175.287 -0.917 18091
3862 1 10 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.054 -0.575 18091
3863 1 10 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.673 -1.043 18091
3864 1 10 . 1 1 67 67 ILE H H 585 6.490 6.490 7.227 -0.737 18091
3865 1 10 . 1 1 68 68 ARG N N 586 125.450 125.450 127.196 -1.746 18091
3866 1 10 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.482 -0.102 18091
3867 1 10 . 1 1 68 68 ARG C C 586 175.720 175.720 176.100 -0.380 18091
3868 1 10 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.738 -0.818 18091
3869 1 10 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.265 3.055 18091
3870 1 10 . 1 1 68 68 ARG H H 586 8.500 8.500 8.759 -0.259 18091
3871 1 10 . 1 1 69 69 THR N N 587 113.710 113.710 112.037 1.673 18091
3872 1 10 . 1 1 69 69 THR HA H 587 4.300 4.300 4.172 0.128 18091
3873 1 10 . 1 1 69 69 THR C C 587 174.760 174.760 175.906 -1.146 18091
3874 1 10 . 1 1 69 69 THR CA C 587 61.300 61.300 63.934 -2.634 18091
3875 1 10 . 1 1 69 69 THR CB C 587 69.720 69.720 69.005 0.715 18091
3876 1 10 . 1 1 69 69 THR H H 587 8.250 8.250 7.679 0.571 18091
3877 1 10 . 1 1 70 70 GLY N N 588 110.720 110.720 109.611 1.109 18091
3878 1 10 . 1 1 70 70 GLY C C 588 172.820 172.820 174.140 -1.320 18091
3879 1 10 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.398 -0.238 18091
3880 1 10 . 1 1 70 70 GLY H H 588 8.230 8.230 8.866 -0.636 18091
3881 1 11 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.394 -0.164 18091
3882 1 11 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.591 -0.341 18091
3883 1 11 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.470 -0.510 18091
3884 1 11 . 1 1 3 3 GLY N N 521 109.400 109.400 108.725 0.675 18091
3885 1 11 . 1 1 3 3 GLY C C 521 174.300 174.300 173.247 1.053 18091
3886 1 11 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.084 0.096 18091
3887 1 11 . 1 1 3 3 GLY H H 521 8.490 8.490 8.428 0.062 18091
3888 1 11 . 1 1 4 4 THR N N 522 112.480 112.480 113.654 -1.174 18091
3889 1 11 . 1 1 4 4 THR HA H 522 4.300 4.300 4.676 -0.376 18091
3890 1 11 . 1 1 4 4 THR C C 522 174.690 174.690 173.134 1.556 18091
3891 1 11 . 1 1 4 4 THR CA C 522 61.240 61.240 61.372 -0.132 18091
3892 1 11 . 1 1 4 4 THR CB C 522 69.960 69.960 71.085 -1.125 18091
3893 1 11 . 1 1 4 4 THR H H 522 7.860 7.860 7.796 0.064 18091
3894 1 11 . 1 1 5 5 SER N N 523 117.450 117.450 118.241 -0.791 18091
3895 1 11 . 1 1 5 5 SER HA H 523 3.890 3.890 4.743 -0.853 18091
3896 1 11 . 1 1 5 5 SER C C 523 173.320 173.320 173.301 0.019 18091
3897 1 11 . 1 1 5 5 SER CA C 523 58.460 58.460 58.055 0.405 18091
3898 1 11 . 1 1 5 5 SER CB C 523 63.690 63.690 64.534 -0.844 18091
3899 1 11 . 1 1 5 5 SER H H 523 8.300 8.300 8.544 -0.244 18091
3900 1 11 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.687 -0.337 18091
3901 1 11 . 1 1 6 6 ASN C C 524 174.670 174.670 173.785 0.885 18091
3902 1 11 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.458 -0.398 18091
3903 1 11 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.117 -0.408 18091
3904 1 11 . 1 1 7 7 GLU N N 525 120.970 120.970 122.329 -1.359 18091
3905 1 11 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.496 -0.156 18091
3906 1 11 . 1 1 7 7 GLU C C 525 176.900 176.900 175.889 1.011 18091
3907 1 11 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.886 0.154 18091
3908 1 11 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.131 -1.061 18091
3909 1 11 . 1 1 7 7 GLU H H 525 7.970 7.970 8.129 -0.159 18091
3910 1 11 . 1 1 8 8 THR N N 526 116.960 116.960 115.592 1.368 18091
3911 1 11 . 1 1 8 8 THR HA H 526 4.540 4.540 4.740 -0.200 18091
3912 1 11 . 1 1 8 8 THR C C 526 173.410 173.410 174.173 -0.763 18091
3913 1 11 . 1 1 8 8 THR CA C 526 60.080 60.080 59.129 0.951 18091
3914 1 11 . 1 1 8 8 THR CB C 526 68.500 68.500 68.354 0.146 18091
3915 1 11 . 1 1 8 8 THR H H 526 8.630 8.630 8.433 0.197 18091
3916 1 11 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.054 0.136 18091
3917 1 11 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.432 0.678 18091
3918 1 11 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.841 -0.261 18091
3919 1 11 . 1 1 10 10 GLU N N 528 118.610 118.610 117.130 1.480 18091
3920 1 11 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.200 -0.220 18091
3921 1 11 . 1 1 10 10 GLU C C 528 178.550 178.550 178.111 0.439 18091
3922 1 11 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.614 -0.034 18091
3923 1 11 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.299 -0.309 18091
3924 1 11 . 1 1 10 10 GLU H H 528 8.550 8.550 8.759 -0.209 18091
3925 1 11 . 1 1 11 11 GLU N N 529 121.090 121.090 119.149 1.941 18091
3926 1 11 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.062 -0.132 18091
3927 1 11 . 1 1 11 11 GLU C C 529 179.470 179.470 178.646 0.824 18091
3928 1 11 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.136 -0.186 18091
3929 1 11 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.505 -0.025 18091
3930 1 11 . 1 1 11 11 GLU H H 529 7.870 7.870 7.492 0.378 18091
3931 1 11 . 1 1 12 12 THR N N 530 118.050 118.050 116.581 1.469 18091
3932 1 11 . 1 1 12 12 THR HA H 530 3.750 3.750 3.927 -0.177 18091
3933 1 11 . 1 1 12 12 THR C C 530 175.770 175.770 176.592 -0.822 18091
3934 1 11 . 1 1 12 12 THR CA C 530 66.320 66.320 67.288 -0.968 18091
3935 1 11 . 1 1 12 12 THR CB C 530 68.430 68.430 68.509 -0.079 18091
3936 1 11 . 1 1 12 12 THR H H 530 8.390 8.390 7.341 1.049 18091
3937 1 11 . 1 1 13 13 TYR N N 531 122.280 122.280 120.209 2.071 18091
3938 1 11 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.101 -0.281 18091
3939 1 11 . 1 1 13 13 TYR C C 531 176.420 176.420 178.270 -1.850 18091
3940 1 11 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.086 0.354 18091
3941 1 11 . 1 1 13 13 TYR CB C 531 38.110 38.110 36.908 1.202 18091
3942 1 11 . 1 1 13 13 TYR H H 531 8.050 8.050 7.395 0.655 18091
3943 1 11 . 1 1 14 14 GLN N N 532 116.250 116.250 118.231 -1.981 18091
3944 1 11 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.927 -0.237 18091
3945 1 11 . 1 1 14 14 GLN C C 532 178.800 178.800 178.395 0.405 18091
3946 1 11 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.987 -0.367 18091
3947 1 11 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.460 -0.400 18091
3948 1 11 . 1 1 14 14 GLN H H 532 8.010 8.010 7.910 0.100 18091
3949 1 11 . 1 1 15 15 ARG N N 533 118.730 118.730 119.765 -1.035 18091
3950 1 11 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.006 -0.086 18091
3951 1 11 . 1 1 15 15 ARG C C 533 179.030 179.030 178.951 0.079 18091
3952 1 11 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.137 0.003 18091
3953 1 11 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.213 -0.413 18091
3954 1 11 . 1 1 15 15 ARG H H 533 7.800 7.800 7.890 -0.090 18091
3955 1 11 . 1 1 16 16 ALA N N 534 123.500 123.500 121.815 1.685 18091
3956 1 11 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.016 -0.056 18091
3957 1 11 . 1 1 16 16 ALA C C 534 178.860 178.860 179.790 -0.930 18091
3958 1 11 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.978 -0.308 18091
3959 1 11 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.496 0.234 18091
3960 1 11 . 1 1 16 16 ALA H H 534 8.210 8.210 7.913 0.297 18091
3961 1 11 . 1 1 17 17 MET N N 535 111.910 111.910 114.971 -3.061 18091
3962 1 11 . 1 1 17 17 MET HA H 535 4.020 4.020 4.248 -0.228 18091
3963 1 11 . 1 1 17 17 MET C C 535 176.890 176.890 177.564 -0.674 18091
3964 1 11 . 1 1 17 17 MET CA C 535 55.200 55.200 57.312 -2.112 18091
3965 1 11 . 1 1 17 17 MET CB C 535 31.110 31.110 31.885 -0.775 18091
3966 1 11 . 1 1 17 17 MET H H 535 7.480 7.480 7.972 -0.492 18091
3967 1 11 . 1 1 18 18 LYS N N 536 116.840 116.840 116.392 0.448 18091
3968 1 11 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.232 -0.242 18091
3969 1 11 . 1 1 18 18 LYS C C 536 176.690 176.690 176.627 0.063 18091
3970 1 11 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.805 -0.215 18091
3971 1 11 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.640 -0.300 18091
3972 1 11 . 1 1 18 18 LYS H H 536 7.180 7.180 7.347 -0.167 18091
3973 1 11 . 1 1 19 19 ASP N N 537 122.680 122.680 121.417 1.263 18091
3974 1 11 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.893 -0.093 18091
3975 1 11 . 1 1 19 19 ASP C C 537 174.720 174.720 175.367 -0.647 18091
3976 1 11 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.168 -0.078 18091
3977 1 11 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.377 0.593 18091
3978 1 11 . 1 1 19 19 ASP H H 537 7.530 7.530 7.594 -0.064 18091
3979 1 11 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.231 -0.091 18091
3980 1 11 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.912 -0.162 18091
3981 1 11 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.144 -0.024 18091
3982 1 11 . 1 1 21 21 GLU N N 539 118.590 118.590 117.925 0.665 18091
3983 1 11 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.069 -0.059 18091
3984 1 11 . 1 1 21 21 GLU C C 539 179.010 179.010 179.072 -0.062 18091
3985 1 11 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.216 -0.366 18091
3986 1 11 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.291 0.049 18091
3987 1 11 . 1 1 21 21 GLU H H 539 8.200 8.200 7.978 0.222 18091
3988 1 11 . 1 1 22 22 VAL N N 540 120.690 120.690 120.574 0.116 18091
3989 1 11 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.555 -0.325 18091
3990 1 11 . 1 1 22 22 VAL C C 540 177.740 177.740 177.770 -0.030 18091
3991 1 11 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.441 -0.351 18091
3992 1 11 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.522 -0.172 18091
3993 1 11 . 1 1 22 22 VAL H H 540 7.350 7.350 7.518 -0.168 18091
3994 1 11 . 1 1 23 23 ALA N N 541 121.460 121.460 122.288 -0.828 18091
3995 1 11 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.938 -0.168 18091
3996 1 11 . 1 1 23 23 ALA C C 541 179.660 179.660 179.217 0.443 18091
3997 1 11 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.112 0.278 18091
3998 1 11 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.232 -0.522 18091
3999 1 11 . 1 1 23 23 ALA H H 541 8.430 8.430 7.649 0.781 18091
4000 1 11 . 1 1 24 24 ALA N N 542 117.000 117.000 120.522 -3.522 18091
4001 1 11 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.044 -0.104 18091
4002 1 11 . 1 1 24 24 ALA C C 542 180.880 180.880 179.456 1.424 18091
4003 1 11 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.585 0.115 18091
4004 1 11 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.725 -0.775 18091
4005 1 11 . 1 1 24 24 ALA H H 542 7.380 7.380 7.492 -0.112 18091
4006 1 11 . 1 1 25 25 ILE N N 543 119.750 119.750 118.453 1.297 18091
4007 1 11 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.653 0.037 18091
4008 1 11 . 1 1 25 25 ILE C C 543 177.450 177.450 178.419 -0.969 18091
4009 1 11 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.885 0.075 18091
4010 1 11 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.111 0.169 18091
4011 1 11 . 1 1 25 25 ILE H H 543 7.380 7.380 7.424 -0.044 18091
4012 1 11 . 1 1 26 26 MET N N 544 113.830 113.830 117.306 -3.476 18091
4013 1 11 . 1 1 26 26 MET HA H 544 4.140 4.140 4.092 0.048 18091
4014 1 11 . 1 1 26 26 MET C C 544 177.680 177.680 177.809 -0.129 18091
4015 1 11 . 1 1 26 26 MET CA C 544 55.660 55.660 58.588 -2.928 18091
4016 1 11 . 1 1 26 26 MET CB C 544 30.690 30.690 32.444 -1.754 18091
4017 1 11 . 1 1 26 26 MET H H 544 7.870 7.870 7.951 -0.081 18091
4018 1 11 . 1 1 27 27 GLN N N 545 115.210 115.210 115.725 -0.515 18091
4019 1 11 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.267 -0.187 18091
4020 1 11 . 1 1 27 27 GLN C C 545 175.170 175.170 175.741 -0.571 18091
4021 1 11 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.978 -0.538 18091
4022 1 11 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.124 -0.134 18091
4023 1 11 . 1 1 27 27 GLN H H 545 7.340 7.340 7.426 -0.086 18091
4024 1 11 . 1 1 28 28 ASP N N 546 123.270 123.270 120.355 2.915 18091
4025 1 11 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.959 -0.239 18091
4026 1 11 . 1 1 28 28 ASP C C 546 175.220 175.220 175.563 -0.343 18091
4027 1 11 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.688 0.652 18091
4028 1 11 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.219 0.161 18091
4029 1 11 . 1 1 28 28 ASP H H 546 7.320 7.320 7.983 -0.663 18091
4030 1 11 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.352 -0.232 18091
4031 1 11 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.163 0.757 18091
4032 1 11 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.107 0.153 18091
4033 1 11 . 1 1 30 30 VAL N N 548 119.870 119.870 120.016 -0.146 18091
4034 1 11 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.643 -0.063 18091
4035 1 11 . 1 1 30 30 VAL C C 548 179.010 179.010 177.708 1.302 18091
4036 1 11 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.523 -0.523 18091
4037 1 11 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.302 -0.192 18091
4038 1 11 . 1 1 30 30 VAL H H 548 8.000 8.000 8.212 -0.212 18091
4039 1 11 . 1 1 31 31 MET N N 549 118.270 118.270 116.726 1.544 18091
4040 1 11 . 1 1 31 31 MET HA H 549 4.340 4.340 3.967 0.373 18091
4041 1 11 . 1 1 31 31 MET C C 549 178.830 178.830 178.127 0.703 18091
4042 1 11 . 1 1 31 31 MET CA C 549 55.140 55.140 59.259 -4.119 18091
4043 1 11 . 1 1 31 31 MET CB C 549 28.840 28.840 32.173 -3.333 18091
4044 1 11 . 1 1 31 31 MET H H 549 7.250 7.250 7.450 -0.200 18091
4045 1 11 . 1 1 32 32 GLN N N 550 118.190 118.190 119.966 -1.776 18091
4046 1 11 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.940 -0.200 18091
4047 1 11 . 1 1 32 32 GLN C C 550 178.840 178.840 178.373 0.467 18091
4048 1 11 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.317 0.103 18091
4049 1 11 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.341 -0.681 18091
4050 1 11 . 1 1 32 32 GLN H H 550 8.310 8.310 7.913 0.397 18091
4051 1 11 . 1 1 33 33 SER N N 551 114.010 114.010 116.215 -2.205 18091
4052 1 11 . 1 1 33 33 SER HA H 551 4.140 4.140 4.130 0.010 18091
4053 1 11 . 1 1 33 33 SER C C 551 176.840 176.840 176.826 0.014 18091
4054 1 11 . 1 1 33 33 SER CA C 551 61.330 61.330 61.791 -0.461 18091
4055 1 11 . 1 1 33 33 SER CB C 551 62.450 62.450 62.989 -0.539 18091
4056 1 11 . 1 1 33 33 SER H H 551 7.570 7.570 7.596 -0.026 18091
4057 1 11 . 1 1 34 34 ILE N N 552 123.490 123.490 122.771 0.719 18091
4058 1 11 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.612 -0.332 18091
4059 1 11 . 1 1 34 34 ILE C C 552 177.630 177.630 178.106 -0.476 18091
4060 1 11 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.128 0.552 18091
4061 1 11 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.554 0.166 18091
4062 1 11 . 1 1 34 34 ILE H H 552 7.600 7.600 7.454 0.146 18091
4063 1 11 . 1 1 35 35 LEU N N 553 119.520 119.520 119.368 0.152 18091
4064 1 11 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.805 -0.055 18091
4065 1 11 . 1 1 35 35 LEU C C 553 179.440 179.440 179.055 0.385 18091
4066 1 11 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.080 -0.130 18091
4067 1 11 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.255 -0.555 18091
4068 1 11 . 1 1 35 35 LEU H H 553 8.330 8.330 7.942 0.388 18091
4069 1 11 . 1 1 36 36 GLN N N 554 118.590 118.590 118.891 -0.301 18091
4070 1 11 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.059 -0.139 18091
4071 1 11 . 1 1 36 36 GLN C C 554 178.560 178.560 178.701 -0.141 18091
4072 1 11 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.895 -0.235 18091
4073 1 11 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.701 -0.641 18091
4074 1 11 . 1 1 36 36 GLN H H 554 7.800 7.800 7.860 -0.060 18091
4075 1 11 . 1 1 37 37 GLN N N 555 119.520 119.520 118.188 1.332 18091
4076 1 11 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.070 -0.140 18091
4077 1 11 . 1 1 37 37 GLN C C 555 178.400 178.400 178.646 -0.246 18091
4078 1 11 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.444 0.086 18091
4079 1 11 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.382 0.408 18091
4080 1 11 . 1 1 37 37 GLN H H 555 7.990 7.990 7.935 0.055 18091
4081 1 11 . 1 1 38 38 ALA N N 556 120.730 120.730 121.391 -0.661 18091
4082 1 11 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.306 -0.196 18091
4083 1 11 . 1 1 38 38 ALA C C 556 178.310 178.310 180.042 -1.732 18091
4084 1 11 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.719 -1.219 18091
4085 1 11 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.300 0.070 18091
4086 1 11 . 1 1 38 38 ALA H H 556 8.310 8.310 8.151 0.159 18091
4087 1 11 . 1 1 39 39 GLN N N 557 115.600 115.600 118.506 -2.906 18091
4088 1 11 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.027 -0.067 18091
4089 1 11 . 1 1 39 39 GLN C C 557 177.260 177.260 178.474 -1.214 18091
4090 1 11 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.311 -0.391 18091
4091 1 11 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.636 -0.156 18091
4092 1 11 . 1 1 39 39 GLN H H 557 7.530 7.530 7.770 -0.240 18091
4093 1 11 . 1 1 40 40 GLN N N 558 115.310 115.310 116.690 -1.380 18091
4094 1 11 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.179 0.001 18091
4095 1 11 . 1 1 40 40 GLN C C 558 176.030 176.030 176.196 -0.166 18091
4096 1 11 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.593 -1.043 18091
4097 1 11 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.862 -0.542 18091
4098 1 11 . 1 1 40 40 GLN H H 558 7.350 7.350 7.644 -0.294 18091
4099 1 11 . 1 1 41 41 ASN N N 559 114.850 114.850 115.466 -0.616 18091
4100 1 11 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.097 -0.147 18091
4101 1 11 . 1 1 41 41 ASN C C 559 172.420 172.420 173.275 -0.855 18091
4102 1 11 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.097 -0.667 18091
4103 1 11 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.352 -1.472 18091
4104 1 11 . 1 1 41 41 ASN H H 559 7.900 7.900 7.947 -0.047 18091
4105 1 11 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.505 -0.175 18091
4106 1 11 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.966 0.034 18091
4107 1 11 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.173 -0.493 18091
4108 1 11 . 1 1 43 43 ALA N N 561 119.920 119.920 120.446 -0.526 18091
4109 1 11 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.131 -0.001 18091
4110 1 11 . 1 1 43 43 ALA C C 561 179.510 179.510 178.772 0.738 18091
4111 1 11 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.088 -0.038 18091
4112 1 11 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.351 -0.301 18091
4113 1 11 . 1 1 43 43 ALA H H 561 7.850 7.850 7.568 0.282 18091
4114 1 11 . 1 1 44 44 ALA N N 562 120.790 120.790 121.046 -0.256 18091
4115 1 11 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.098 -0.078 18091
4116 1 11 . 1 1 44 44 ALA C C 562 179.570 179.570 179.348 0.222 18091
4117 1 11 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.252 -1.132 18091
4118 1 11 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.534 -0.334 18091
4119 1 11 . 1 1 44 44 ALA H H 562 7.980 7.980 8.197 -0.217 18091
4120 1 11 . 1 1 45 45 LEU N N 563 116.420 116.420 115.853 0.567 18091
4121 1 11 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.212 -0.232 18091
4122 1 11 . 1 1 45 45 LEU C C 563 178.220 178.220 178.702 -0.482 18091
4123 1 11 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.484 0.156 18091
4124 1 11 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.743 0.947 18091
4125 1 11 . 1 1 45 45 LEU H H 563 7.510 7.510 7.694 -0.184 18091
4126 1 11 . 1 1 46 46 GLN N N 564 115.510 115.510 120.653 -5.143 18091
4127 1 11 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.959 -0.099 18091
4128 1 11 . 1 1 46 46 GLN C C 564 178.300 178.300 177.963 0.337 18091
4129 1 11 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.321 -0.601 18091
4130 1 11 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.538 -0.518 18091
4131 1 11 . 1 1 46 46 GLN H H 564 7.510 7.510 7.723 -0.213 18091
4132 1 11 . 1 1 47 47 GLU N N 565 117.680 117.680 117.993 -0.313 18091
4133 1 11 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.977 -0.077 18091
4134 1 11 . 1 1 47 47 GLU C C 565 179.070 179.070 179.188 -0.118 18091
4135 1 11 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.048 -0.668 18091
4136 1 11 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.008 -0.018 18091
4137 1 11 . 1 1 47 47 GLU H H 565 7.440 7.440 7.815 -0.375 18091
4138 1 11 . 1 1 48 48 HIS N N 566 118.220 118.220 119.210 -0.990 18091
4139 1 11 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.391 -0.011 18091
4140 1 11 . 1 1 48 48 HIS C C 566 177.280 177.280 177.810 -0.530 18091
4141 1 11 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.129 -0.269 18091
4142 1 11 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.879 1.561 18091
4143 1 11 . 1 1 48 48 HIS H H 566 7.420 7.420 7.538 -0.118 18091
4144 1 11 . 1 1 49 49 MET N N 567 115.200 115.200 119.387 -4.187 18091
4145 1 11 . 1 1 49 49 MET HA H 567 3.840 3.840 4.282 -0.442 18091
4146 1 11 . 1 1 49 49 MET C C 567 175.260 175.260 178.063 -2.803 18091
4147 1 11 . 1 1 49 49 MET CA C 567 57.840 57.840 58.940 -1.100 18091
4148 1 11 . 1 1 49 49 MET CB C 567 33.080 33.080 32.599 0.481 18091
4149 1 11 . 1 1 49 49 MET H H 567 7.710 7.710 7.990 -0.280 18091
4150 1 11 . 1 1 50 50 LYS N N 568 116.040 116.040 116.917 -0.877 18091
4151 1 11 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.022 -0.062 18091
4152 1 11 . 1 1 50 50 LYS C C 568 176.220 176.220 177.052 -0.832 18091
4153 1 11 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.745 -0.355 18091
4154 1 11 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.284 -0.064 18091
4155 1 11 . 1 1 50 50 LYS H H 568 7.140 7.140 7.620 -0.480 18091
4156 1 11 . 1 1 51 51 ASN N N 569 119.600 119.600 118.407 1.193 18091
4157 1 11 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.802 0.218 18091
4158 1 11 . 1 1 51 51 ASN C C 569 173.920 173.920 175.018 -1.098 18091
4159 1 11 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.335 -1.385 18091
4160 1 11 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.397 -0.397 18091
4161 1 11 . 1 1 51 51 ASN H H 569 7.480 7.480 7.546 -0.066 18091
4162 1 11 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.325 -0.065 18091
4163 1 11 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.720 -0.610 18091
4164 1 11 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.149 0.121 18091
4165 1 11 . 1 1 53 53 GLU N N 571 116.870 116.870 119.313 -2.443 18091
4166 1 11 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.173 -0.103 18091
4167 1 11 . 1 1 53 53 GLU C C 571 178.830 178.830 178.961 -0.131 18091
4168 1 11 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.582 -0.702 18091
4169 1 11 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.455 -0.025 18091
4170 1 11 . 1 1 53 53 GLU H H 571 7.960 7.960 8.744 -0.784 18091
4171 1 11 . 1 1 54 54 VAL N N 572 118.290 118.290 119.408 -1.118 18091
4172 1 11 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.838 -0.178 18091
4173 1 11 . 1 1 54 54 VAL C C 572 177.620 177.620 177.990 -0.370 18091
4174 1 11 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.086 -0.986 18091
4175 1 11 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.235 0.975 18091
4176 1 11 . 1 1 54 54 VAL H H 572 7.330 7.330 7.966 -0.636 18091
4177 1 11 . 1 1 55 55 PHE N N 573 121.090 121.090 121.795 -0.705 18091
4178 1 11 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.225 -0.335 18091
4179 1 11 . 1 1 55 55 PHE C C 573 176.760 176.760 177.013 -0.253 18091
4180 1 11 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.837 0.393 18091
4181 1 11 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.968 -0.348 18091
4182 1 11 . 1 1 55 55 PHE H H 573 8.700 8.700 8.815 -0.115 18091
4183 1 11 . 1 1 56 56 LYS N N 574 116.910 116.910 117.577 -0.667 18091
4184 1 11 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.787 0.003 18091
4185 1 11 . 1 1 56 56 LYS C C 574 178.980 178.980 178.881 0.099 18091
4186 1 11 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.244 0.236 18091
4187 1 11 . 1 1 56 56 LYS CB C 574 32.200 32.200 31.995 0.204 18091
4188 1 11 . 1 1 56 56 LYS H H 574 7.800 7.800 7.922 -0.122 18091
4189 1 11 . 1 1 57 57 LYS N N 575 119.120 119.120 120.341 -1.221 18091
4190 1 11 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.038 -0.128 18091
4191 1 11 . 1 1 57 57 LYS C C 575 178.520 178.520 179.069 -0.549 18091
4192 1 11 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.355 0.595 18091
4193 1 11 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.408 0.652 18091
4194 1 11 . 1 1 57 57 LYS H H 575 7.170 7.170 7.200 -0.030 18091
4195 1 11 . 1 1 58 58 ILE N N 576 119.180 119.180 119.278 -0.098 18091
4196 1 11 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.738 -0.418 18091
4197 1 11 . 1 1 58 58 ILE C C 576 177.820 177.820 178.266 -0.446 18091
4198 1 11 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.064 0.466 18091
4199 1 11 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.995 -0.745 18091
4200 1 11 . 1 1 58 58 ILE H H 576 8.300 8.300 8.404 -0.104 18091
4201 1 11 . 1 1 59 59 GLN N N 577 118.000 118.000 118.384 -0.384 18091
4202 1 11 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.817 -0.147 18091
4203 1 11 . 1 1 59 59 GLN C C 577 179.250 179.250 178.551 0.699 18091
4204 1 11 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.269 -0.149 18091
4205 1 11 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.307 -0.467 18091
4206 1 11 . 1 1 59 59 GLN H H 577 8.180 8.180 7.848 0.332 18091
4207 1 11 . 1 1 60 60 THR N N 578 118.670 118.670 116.825 1.845 18091
4208 1 11 . 1 1 60 60 THR HA H 578 3.760 3.760 3.908 -0.148 18091
4209 1 11 . 1 1 60 60 THR C C 578 176.060 176.060 176.561 -0.501 18091
4210 1 11 . 1 1 60 60 THR CA C 578 66.890 66.890 67.189 -0.299 18091
4211 1 11 . 1 1 60 60 THR CB C 578 68.030 68.030 68.642 -0.613 18091
4212 1 11 . 1 1 60 60 THR H H 578 7.780 7.780 7.650 0.130 18091
4213 1 11 . 1 1 61 61 LEU N N 579 120.680 120.680 120.688 -0.008 18091
4214 1 11 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.048 -0.198 18091
4215 1 11 . 1 1 61 61 LEU C C 579 179.590 179.590 178.769 0.821 18091
4216 1 11 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.552 0.098 18091
4217 1 11 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.238 -0.258 18091
4218 1 11 . 1 1 61 61 LEU H H 579 7.620 7.620 7.346 0.274 18091
4219 1 11 . 1 1 62 62 ILE N N 580 122.880 122.880 120.790 2.090 18091
4220 1 11 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.929 0.101 18091
4221 1 11 . 1 1 62 62 ILE C C 580 180.260 180.260 179.135 1.125 18091
4222 1 11 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.962 -0.232 18091
4223 1 11 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.731 0.579 18091
4224 1 11 . 1 1 62 62 ILE H H 580 8.540 8.540 7.607 0.932 18091
4225 1 11 . 1 1 63 63 ALA N N 581 124.510 124.510 122.493 2.017 18091
4226 1 11 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.014 -0.044 18091
4227 1 11 . 1 1 63 63 ALA C C 581 179.000 179.000 179.006 -0.006 18091
4228 1 11 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.892 -0.052 18091
4229 1 11 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.082 -0.582 18091
4230 1 11 . 1 1 63 63 ALA H H 581 8.120 8.120 8.123 -0.003 18091
4231 1 11 . 1 1 64 64 ALA N N 582 116.250 116.250 117.484 -1.234 18091
4232 1 11 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.204 -0.064 18091
4233 1 11 . 1 1 64 64 ALA C C 582 177.040 177.040 178.117 -1.077 18091
4234 1 11 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.195 -0.015 18091
4235 1 11 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.963 0.897 18091
4236 1 11 . 1 1 64 64 ALA H H 582 7.470 7.470 7.461 0.009 18091
4237 1 11 . 1 1 65 65 GLY N N 583 104.540 104.540 106.366 -1.826 18091
4238 1 11 . 1 1 65 65 GLY C C 583 174.180 174.180 174.939 -0.759 18091
4239 1 11 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.052 -1.262 18091
4240 1 11 . 1 1 65 65 GLY H H 583 7.600 7.600 7.902 -0.302 18091
4241 1 11 . 1 1 66 66 ILE N N 584 118.630 118.630 116.745 1.885 18091
4242 1 11 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.220 -0.460 18091
4243 1 11 . 1 1 66 66 ILE C C 584 175.660 175.660 175.451 0.209 18091
4244 1 11 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.338 -0.788 18091
4245 1 11 . 1 1 66 66 ILE CB C 584 37.610 37.610 39.377 -1.767 18091
4246 1 11 . 1 1 66 66 ILE H H 584 7.590 7.590 7.830 -0.240 18091
4247 1 11 . 1 1 67 67 ILE N N 585 116.360 116.360 117.421 -1.061 18091
4248 1 11 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.372 -0.202 18091
4249 1 11 . 1 1 67 67 ILE C C 585 174.370 174.370 175.903 -1.533 18091
4250 1 11 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.123 -0.643 18091
4251 1 11 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.595 -0.965 18091
4252 1 11 . 1 1 67 67 ILE H H 585 6.490 6.490 7.388 -0.898 18091
4253 1 11 . 1 1 68 68 ARG N N 586 125.450 125.450 120.831 4.619 18091
4254 1 11 . 1 1 68 68 ARG HA H 586 4.380 4.380 3.898 0.482 18091
4255 1 11 . 1 1 68 68 ARG C C 586 175.720 175.720 176.197 -0.477 18091
4256 1 11 . 1 1 68 68 ARG CA C 586 54.920 54.920 58.732 -3.812 18091
4257 1 11 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.919 2.401 18091
4258 1 11 . 1 1 68 68 ARG H H 586 8.500 8.500 8.943 -0.443 18091
4259 1 11 . 1 1 69 69 THR N N 587 113.710 113.710 114.806 -1.096 18091
4260 1 11 . 1 1 69 69 THR HA H 587 4.300 4.300 4.194 0.106 18091
4261 1 11 . 1 1 69 69 THR C C 587 174.760 174.760 174.479 0.281 18091
4262 1 11 . 1 1 69 69 THR CA C 587 61.300 61.300 62.925 -1.625 18091
4263 1 11 . 1 1 69 69 THR CB C 587 69.720 69.720 67.835 1.885 18091
4264 1 11 . 1 1 69 69 THR H H 587 8.250 8.250 8.025 0.225 18091
4265 1 11 . 1 1 70 70 GLY N N 588 110.720 110.720 114.191 -3.471 18091
4266 1 11 . 1 1 70 70 GLY C C 588 172.820 172.820 173.462 -0.642 18091
4267 1 11 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.826 0.334 18091
4268 1 11 . 1 1 70 70 GLY H H 588 8.230 8.230 7.785 0.445 18091
4269 1 12 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.994 -0.764 18091
4270 1 12 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.233 0.018 18091
4271 1 12 . 1 1 2 2 PRO CB C 520 31.960 31.960 33.249 -1.289 18091
4272 1 12 . 1 1 3 3 GLY N N 521 109.400 109.400 111.457 -2.057 18091
4273 1 12 . 1 1 3 3 GLY C C 521 174.300 174.300 174.644 -0.344 18091
4274 1 12 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.223 -0.043 18091
4275 1 12 . 1 1 3 3 GLY H H 521 8.490 8.490 8.558 -0.068 18091
4276 1 12 . 1 1 4 4 THR N N 522 112.480 112.480 110.220 2.260 18091
4277 1 12 . 1 1 4 4 THR HA H 522 4.300 4.300 4.358 -0.058 18091
4278 1 12 . 1 1 4 4 THR C C 522 174.690 174.690 174.818 -0.128 18091
4279 1 12 . 1 1 4 4 THR CA C 522 61.240 61.240 62.166 -0.926 18091
4280 1 12 . 1 1 4 4 THR CB C 522 69.960 69.960 69.433 0.527 18091
4281 1 12 . 1 1 4 4 THR H H 522 7.860 7.860 8.065 -0.205 18091
4282 1 12 . 1 1 5 5 SER N N 523 117.450 117.450 115.469 1.981 18091
4283 1 12 . 1 1 5 5 SER HA H 523 3.890 3.890 4.577 -0.687 18091
4284 1 12 . 1 1 5 5 SER C C 523 173.320 173.320 173.067 0.253 18091
4285 1 12 . 1 1 5 5 SER CA C 523 58.460 58.460 56.801 1.659 18091
4286 1 12 . 1 1 5 5 SER CB C 523 63.690 63.690 64.262 -0.572 18091
4287 1 12 . 1 1 5 5 SER H H 523 8.300 8.300 7.807 0.493 18091
4288 1 12 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.517 -0.167 18091
4289 1 12 . 1 1 6 6 ASN C C 524 174.670 174.670 174.985 -0.315 18091
4290 1 12 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.302 -1.242 18091
4291 1 12 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.049 -0.339 18091
4292 1 12 . 1 1 7 7 GLU N N 525 120.970 120.970 118.661 2.309 18091
4293 1 12 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.536 -0.196 18091
4294 1 12 . 1 1 7 7 GLU C C 525 176.900 176.900 174.808 2.092 18091
4295 1 12 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.404 0.636 18091
4296 1 12 . 1 1 7 7 GLU CB C 525 31.070 31.070 33.495 -2.425 18091
4297 1 12 . 1 1 7 7 GLU H H 525 7.970 7.970 8.363 -0.393 18091
4298 1 12 . 1 1 8 8 THR N N 526 116.960 116.960 113.483 3.477 18091
4299 1 12 . 1 1 8 8 THR HA H 526 4.540 4.540 4.492 0.048 18091
4300 1 12 . 1 1 8 8 THR C C 526 173.410 173.410 174.405 -0.995 18091
4301 1 12 . 1 1 8 8 THR CA C 526 60.080 60.080 60.707 -0.627 18091
4302 1 12 . 1 1 8 8 THR CB C 526 68.500 68.500 68.019 0.481 18091
4303 1 12 . 1 1 8 8 THR H H 526 8.630 8.630 8.299 0.331 18091
4304 1 12 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.143 0.047 18091
4305 1 12 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.212 -0.102 18091
4306 1 12 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.874 -0.294 18091
4307 1 12 . 1 1 10 10 GLU N N 528 118.610 118.610 118.265 0.345 18091
4308 1 12 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.254 -0.274 18091
4309 1 12 . 1 1 10 10 GLU C C 528 178.550 178.550 178.599 -0.049 18091
4310 1 12 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.679 -0.099 18091
4311 1 12 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.314 -0.324 18091
4312 1 12 . 1 1 10 10 GLU H H 528 8.550 8.550 8.816 -0.266 18091
4313 1 12 . 1 1 11 11 GLU N N 529 121.090 121.090 118.618 2.472 18091
4314 1 12 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.098 -0.168 18091
4315 1 12 . 1 1 11 11 GLU C C 529 179.470 179.470 178.667 0.803 18091
4316 1 12 . 1 1 11 11 GLU CA C 529 58.950 58.950 60.168 -1.218 18091
4317 1 12 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.550 -0.070 18091
4318 1 12 . 1 1 11 11 GLU H H 529 7.870 7.870 8.731 -0.861 18091
4319 1 12 . 1 1 12 12 THR N N 530 118.050 118.050 116.468 1.582 18091
4320 1 12 . 1 1 12 12 THR HA H 530 3.750 3.750 3.992 -0.242 18091
4321 1 12 . 1 1 12 12 THR C C 530 175.770 175.770 176.607 -0.837 18091
4322 1 12 . 1 1 12 12 THR CA C 530 66.320 66.320 66.647 -0.327 18091
4323 1 12 . 1 1 12 12 THR CB C 530 68.430 68.430 68.097 0.333 18091
4324 1 12 . 1 1 12 12 THR H H 530 8.390 8.390 7.356 1.034 18091
4325 1 12 . 1 1 13 13 TYR N N 531 122.280 122.280 120.529 1.751 18091
4326 1 12 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.062 -0.242 18091
4327 1 12 . 1 1 13 13 TYR C C 531 176.420 176.420 178.214 -1.794 18091
4328 1 12 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.393 -0.953 18091
4329 1 12 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.492 0.618 18091
4330 1 12 . 1 1 13 13 TYR H H 531 8.050 8.050 7.769 0.281 18091
4331 1 12 . 1 1 14 14 GLN N N 532 116.250 116.250 118.064 -1.814 18091
4332 1 12 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.942 -0.252 18091
4333 1 12 . 1 1 14 14 GLN C C 532 178.800 178.800 178.596 0.204 18091
4334 1 12 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.205 -0.585 18091
4335 1 12 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.440 -0.380 18091
4336 1 12 . 1 1 14 14 GLN H H 532 8.010 8.010 7.850 0.160 18091
4337 1 12 . 1 1 15 15 ARG N N 533 118.730 118.730 119.325 -0.595 18091
4338 1 12 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.019 -0.099 18091
4339 1 12 . 1 1 15 15 ARG C C 533 179.030 179.030 179.028 0.002 18091
4340 1 12 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.082 0.058 18091
4341 1 12 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.059 -0.259 18091
4342 1 12 . 1 1 15 15 ARG H H 533 7.800 7.800 7.876 -0.076 18091
4343 1 12 . 1 1 16 16 ALA N N 534 123.500 123.500 122.024 1.476 18091
4344 1 12 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.030 -0.070 18091
4345 1 12 . 1 1 16 16 ALA C C 534 178.860 178.860 179.553 -0.693 18091
4346 1 12 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.694 -0.024 18091
4347 1 12 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.442 0.288 18091
4348 1 12 . 1 1 16 16 ALA H H 534 8.210 8.210 8.024 0.186 18091
4349 1 12 . 1 1 17 17 MET N N 535 111.910 111.910 116.305 -4.395 18091
4350 1 12 . 1 1 17 17 MET HA H 535 4.020 4.020 4.180 -0.160 18091
4351 1 12 . 1 1 17 17 MET C C 535 176.890 176.890 177.366 -0.476 18091
4352 1 12 . 1 1 17 17 MET CA C 535 55.200 55.200 57.782 -2.583 18091
4353 1 12 . 1 1 17 17 MET CB C 535 31.110 31.110 32.421 -1.311 18091
4354 1 12 . 1 1 17 17 MET H H 535 7.480 7.480 7.998 -0.518 18091
4355 1 12 . 1 1 18 18 LYS N N 536 116.840 116.840 117.525 -0.685 18091
4356 1 12 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.124 -0.134 18091
4357 1 12 . 1 1 18 18 LYS C C 536 176.690 176.690 176.459 0.231 18091
4358 1 12 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.234 -0.644 18091
4359 1 12 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.458 -0.118 18091
4360 1 12 . 1 1 18 18 LYS H H 536 7.180 7.180 7.277 -0.097 18091
4361 1 12 . 1 1 19 19 ASP N N 537 122.680 122.680 121.340 1.340 18091
4362 1 12 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.910 -0.110 18091
4363 1 12 . 1 1 19 19 ASP C C 537 174.720 174.720 175.541 -0.821 18091
4364 1 12 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.138 -0.048 18091
4365 1 12 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.757 0.213 18091
4366 1 12 . 1 1 19 19 ASP H H 537 7.530 7.530 7.719 -0.189 18091
4367 1 12 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.240 -0.100 18091
4368 1 12 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.782 -0.032 18091
4369 1 12 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.163 -0.042 18091
4370 1 12 . 1 1 21 21 GLU N N 539 118.590 118.590 118.136 0.454 18091
4371 1 12 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.068 -0.058 18091
4372 1 12 . 1 1 21 21 GLU C C 539 179.010 179.010 179.086 -0.076 18091
4373 1 12 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.202 -0.352 18091
4374 1 12 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.327 0.013 18091
4375 1 12 . 1 1 21 21 GLU H H 539 8.200 8.200 7.929 0.271 18091
4376 1 12 . 1 1 22 22 VAL N N 540 120.690 120.690 120.363 0.327 18091
4377 1 12 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.563 -0.333 18091
4378 1 12 . 1 1 22 22 VAL C C 540 177.740 177.740 177.775 -0.035 18091
4379 1 12 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.533 -0.443 18091
4380 1 12 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.528 -0.178 18091
4381 1 12 . 1 1 22 22 VAL H H 540 7.350 7.350 7.791 -0.441 18091
4382 1 12 . 1 1 23 23 ALA N N 541 121.460 121.460 121.868 -0.408 18091
4383 1 12 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.943 -0.173 18091
4384 1 12 . 1 1 23 23 ALA C C 541 179.660 179.660 179.090 0.570 18091
4385 1 12 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.111 0.279 18091
4386 1 12 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.050 -0.340 18091
4387 1 12 . 1 1 23 23 ALA H H 541 8.430 8.430 7.530 0.900 18091
4388 1 12 . 1 1 24 24 ALA N N 542 117.000 117.000 121.139 -4.139 18091
4389 1 12 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.028 -0.088 18091
4390 1 12 . 1 1 24 24 ALA C C 542 180.880 180.880 179.259 1.621 18091
4391 1 12 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.831 -0.131 18091
4392 1 12 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.389 -0.439 18091
4393 1 12 . 1 1 24 24 ALA H H 542 7.380 7.380 7.634 -0.254 18091
4394 1 12 . 1 1 25 25 ILE N N 543 119.750 119.750 117.401 2.349 18091
4395 1 12 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.701 -0.011 18091
4396 1 12 . 1 1 25 25 ILE C C 543 177.450 177.450 178.868 -1.418 18091
4397 1 12 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.671 0.289 18091
4398 1 12 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.049 0.231 18091
4399 1 12 . 1 1 25 25 ILE H H 543 7.380 7.380 7.491 -0.111 18091
4400 1 12 . 1 1 26 26 MET N N 544 113.830 113.830 118.102 -4.272 18091
4401 1 12 . 1 1 26 26 MET HA H 544 4.140 4.140 4.113 0.027 18091
4402 1 12 . 1 1 26 26 MET C C 544 177.680 177.680 177.790 -0.110 18091
4403 1 12 . 1 1 26 26 MET CA C 544 55.660 55.660 58.689 -3.029 18091
4404 1 12 . 1 1 26 26 MET CB C 544 30.690 30.690 32.649 -1.959 18091
4405 1 12 . 1 1 26 26 MET H H 544 7.870 7.870 7.698 0.172 18091
4406 1 12 . 1 1 27 27 GLN N N 545 115.210 115.210 114.999 0.211 18091
4407 1 12 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.378 -0.298 18091
4408 1 12 . 1 1 27 27 GLN C C 545 175.170 175.170 175.587 -0.417 18091
4409 1 12 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.956 -0.516 18091
4410 1 12 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.199 -0.209 18091
4411 1 12 . 1 1 27 27 GLN H H 545 7.340 7.340 7.480 -0.140 18091
4412 1 12 . 1 1 28 28 ASP N N 546 123.270 123.270 119.825 3.445 18091
4413 1 12 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.013 -0.293 18091
4414 1 12 . 1 1 28 28 ASP C C 546 175.220 175.220 175.297 -0.077 18091
4415 1 12 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.728 0.612 18091
4416 1 12 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.977 -0.597 18091
4417 1 12 . 1 1 28 28 ASP H H 546 7.320 7.320 7.588 -0.268 18091
4418 1 12 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.394 -0.274 18091
4419 1 12 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.910 1.010 18091
4420 1 12 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.794 -0.534 18091
4421 1 12 . 1 1 30 30 VAL N N 548 119.870 119.870 119.739 0.131 18091
4422 1 12 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.590 -0.010 18091
4423 1 12 . 1 1 30 30 VAL C C 548 179.010 179.010 177.712 1.298 18091
4424 1 12 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.600 -0.600 18091
4425 1 12 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.541 -0.431 18091
4426 1 12 . 1 1 30 30 VAL H H 548 8.000 8.000 7.702 0.298 18091
4427 1 12 . 1 1 31 31 MET N N 549 118.270 118.270 116.932 1.338 18091
4428 1 12 . 1 1 31 31 MET HA H 549 4.340 4.340 3.969 0.371 18091
4429 1 12 . 1 1 31 31 MET C C 549 178.830 178.830 178.071 0.759 18091
4430 1 12 . 1 1 31 31 MET CA C 549 55.140 55.140 58.694 -3.554 18091
4431 1 12 . 1 1 31 31 MET CB C 549 28.840 28.840 32.111 -3.271 18091
4432 1 12 . 1 1 31 31 MET H H 549 7.250 7.250 7.857 -0.607 18091
4433 1 12 . 1 1 32 32 GLN N N 550 118.190 118.190 119.965 -1.775 18091
4434 1 12 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.939 -0.199 18091
4435 1 12 . 1 1 32 32 GLN C C 550 178.840 178.840 178.276 0.564 18091
4436 1 12 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.347 0.073 18091
4437 1 12 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.509 -0.849 18091
4438 1 12 . 1 1 32 32 GLN H H 550 8.310 8.310 8.398 -0.088 18091
4439 1 12 . 1 1 33 33 SER N N 551 114.010 114.010 116.159 -2.149 18091
4440 1 12 . 1 1 33 33 SER HA H 551 4.140 4.140 4.143 -0.003 18091
4441 1 12 . 1 1 33 33 SER C C 551 176.840 176.840 176.834 0.006 18091
4442 1 12 . 1 1 33 33 SER CA C 551 61.330 61.330 61.898 -0.568 18091
4443 1 12 . 1 1 33 33 SER CB C 551 62.450 62.450 63.037 -0.587 18091
4444 1 12 . 1 1 33 33 SER H H 551 7.570 7.570 7.702 -0.132 18091
4445 1 12 . 1 1 34 34 ILE N N 552 123.490 123.490 122.766 0.724 18091
4446 1 12 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.658 -0.378 18091
4447 1 12 . 1 1 34 34 ILE C C 552 177.630 177.630 178.058 -0.428 18091
4448 1 12 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.205 0.475 18091
4449 1 12 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.499 0.221 18091
4450 1 12 . 1 1 34 34 ILE H H 552 7.600 7.600 7.570 0.030 18091
4451 1 12 . 1 1 35 35 LEU N N 553 119.520 119.520 119.531 -0.011 18091
4452 1 12 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.812 -0.062 18091
4453 1 12 . 1 1 35 35 LEU C C 553 179.440 179.440 179.215 0.225 18091
4454 1 12 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.072 -0.122 18091
4455 1 12 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.252 -0.552 18091
4456 1 12 . 1 1 35 35 LEU H H 553 8.330 8.330 7.784 0.546 18091
4457 1 12 . 1 1 36 36 GLN N N 554 118.590 118.590 117.998 0.592 18091
4458 1 12 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.094 -0.174 18091
4459 1 12 . 1 1 36 36 GLN C C 554 178.560 178.560 178.933 -0.373 18091
4460 1 12 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.753 -0.093 18091
4461 1 12 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.503 -0.443 18091
4462 1 12 . 1 1 36 36 GLN H H 554 7.800 7.800 7.799 0.001 18091
4463 1 12 . 1 1 37 37 GLN N N 555 119.520 119.520 119.876 -0.356 18091
4464 1 12 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.260 -0.330 18091
4465 1 12 . 1 1 37 37 GLN C C 555 178.400 178.400 178.161 0.239 18091
4466 1 12 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.392 0.137 18091
4467 1 12 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.441 0.349 18091
4468 1 12 . 1 1 37 37 GLN H H 555 7.990 7.990 8.078 -0.088 18091
4469 1 12 . 1 1 38 38 ALA N N 556 120.730 120.730 121.192 -0.462 18091
4470 1 12 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.427 -0.317 18091
4471 1 12 . 1 1 38 38 ALA C C 556 178.310 178.310 179.921 -1.611 18091
4472 1 12 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.749 -1.249 18091
4473 1 12 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.387 -0.017 18091
4474 1 12 . 1 1 38 38 ALA H H 556 8.310 8.310 8.059 0.251 18091
4475 1 12 . 1 1 39 39 GLN N N 557 115.600 115.600 117.456 -1.856 18091
4476 1 12 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.004 -0.044 18091
4477 1 12 . 1 1 39 39 GLN C C 557 177.260 177.260 178.648 -1.388 18091
4478 1 12 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.284 -0.364 18091
4479 1 12 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.616 -0.136 18091
4480 1 12 . 1 1 39 39 GLN H H 557 7.530 7.530 7.744 -0.214 18091
4481 1 12 . 1 1 40 40 GLN N N 558 115.310 115.310 116.954 -1.644 18091
4482 1 12 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091
4483 1 12 . 1 1 40 40 GLN C C 558 176.030 176.030 176.397 -0.367 18091
4484 1 12 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.715 -1.165 18091
4485 1 12 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.840 -0.520 18091
4486 1 12 . 1 1 40 40 GLN H H 558 7.350 7.350 7.562 -0.212 18091
4487 1 12 . 1 1 41 41 ASN N N 559 114.850 114.850 114.842 0.008 18091
4488 1 12 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.070 -0.120 18091
4489 1 12 . 1 1 41 41 ASN C C 559 172.420 172.420 173.256 -0.836 18091
4490 1 12 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.639 -1.209 18091
4491 1 12 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.167 -2.287 18091
4492 1 12 . 1 1 41 41 ASN H H 559 7.900 7.900 8.005 -0.105 18091
4493 1 12 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.602 -0.272 18091
4494 1 12 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.802 0.198 18091
4495 1 12 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.318 -0.638 18091
4496 1 12 . 1 1 43 43 ALA N N 561 119.920 119.920 120.507 -0.587 18091
4497 1 12 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.372 -0.242 18091
4498 1 12 . 1 1 43 43 ALA C C 561 179.510 179.510 178.686 0.824 18091
4499 1 12 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.067 -0.017 18091
4500 1 12 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.312 -0.262 18091
4501 1 12 . 1 1 43 43 ALA H H 561 7.850 7.850 7.643 0.207 18091
4502 1 12 . 1 1 44 44 ALA N N 562 120.790 120.790 121.500 -0.710 18091
4503 1 12 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.136 -0.116 18091
4504 1 12 . 1 1 44 44 ALA C C 562 179.570 179.570 179.102 0.468 18091
4505 1 12 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.038 -0.918 18091
4506 1 12 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.643 -0.443 18091
4507 1 12 . 1 1 44 44 ALA H H 562 7.980 7.980 7.686 0.294 18091
4508 1 12 . 1 1 45 45 LEU N N 563 116.420 116.420 115.867 0.553 18091
4509 1 12 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.282 -0.302 18091
4510 1 12 . 1 1 45 45 LEU C C 563 178.220 178.220 178.843 -0.623 18091
4511 1 12 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.860 0.780 18091
4512 1 12 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.500 1.190 18091
4513 1 12 . 1 1 45 45 LEU H H 563 7.510 7.510 7.868 -0.358 18091
4514 1 12 . 1 1 46 46 GLN N N 564 115.510 115.510 119.831 -4.321 18091
4515 1 12 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.939 -0.079 18091
4516 1 12 . 1 1 46 46 GLN C C 564 178.300 178.300 178.473 -0.173 18091
4517 1 12 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.412 -0.692 18091
4518 1 12 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.474 -0.454 18091
4519 1 12 . 1 1 46 46 GLN H H 564 7.510 7.510 7.928 -0.418 18091
4520 1 12 . 1 1 47 47 GLU N N 565 117.680 117.680 117.909 -0.229 18091
4521 1 12 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.976 -0.076 18091
4522 1 12 . 1 1 47 47 GLU C C 565 179.070 179.070 179.213 -0.143 18091
4523 1 12 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.979 -0.599 18091
4524 1 12 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.053 -0.063 18091
4525 1 12 . 1 1 47 47 GLU H H 565 7.440 7.440 7.772 -0.332 18091
4526 1 12 . 1 1 48 48 HIS N N 566 118.220 118.220 119.300 -1.080 18091
4527 1 12 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.370 0.010 18091
4528 1 12 . 1 1 48 48 HIS C C 566 177.280 177.280 176.805 0.475 18091
4529 1 12 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.951 -0.091 18091
4530 1 12 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.803 1.637 18091
4531 1 12 . 1 1 48 48 HIS H H 566 7.420 7.420 7.366 0.054 18091
4532 1 12 . 1 1 49 49 MET N N 567 115.200 115.200 117.438 -2.238 18091
4533 1 12 . 1 1 49 49 MET HA H 567 3.840 3.840 4.340 -0.500 18091
4534 1 12 . 1 1 49 49 MET C C 567 175.260 175.260 177.949 -2.689 18091
4535 1 12 . 1 1 49 49 MET CA C 567 57.840 57.840 58.448 -0.608 18091
4536 1 12 . 1 1 49 49 MET CB C 567 33.080 33.080 32.883 0.197 18091
4537 1 12 . 1 1 49 49 MET H H 567 7.710 7.710 7.947 -0.237 18091
4538 1 12 . 1 1 50 50 LYS N N 568 116.040 116.040 116.322 -0.282 18091
4539 1 12 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.077 -0.117 18091
4540 1 12 . 1 1 50 50 LYS C C 568 176.220 176.220 176.826 -0.606 18091
4541 1 12 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.441 -0.051 18091
4542 1 12 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.381 -0.161 18091
4543 1 12 . 1 1 50 50 LYS H H 568 7.140 7.140 7.565 -0.425 18091
4544 1 12 . 1 1 51 51 ASN N N 569 119.600 119.600 118.206 1.394 18091
4545 1 12 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.825 0.195 18091
4546 1 12 . 1 1 51 51 ASN C C 569 173.920 173.920 175.356 -1.436 18091
4547 1 12 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.715 -1.764 18091
4548 1 12 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.865 -0.865 18091
4549 1 12 . 1 1 51 51 ASN H H 569 7.480 7.480 7.449 0.031 18091
4550 1 12 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.335 -0.075 18091
4551 1 12 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.771 -0.661 18091
4552 1 12 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.055 0.215 18091
4553 1 12 . 1 1 53 53 GLU N N 571 116.870 116.870 118.647 -1.777 18091
4554 1 12 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.166 -0.096 18091
4555 1 12 . 1 1 53 53 GLU C C 571 178.830 178.830 178.956 -0.126 18091
4556 1 12 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.408 -0.528 18091
4557 1 12 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.512 -0.082 18091
4558 1 12 . 1 1 53 53 GLU H H 571 7.960 7.960 8.532 -0.572 18091
4559 1 12 . 1 1 54 54 VAL N N 572 118.290 118.290 119.428 -1.138 18091
4560 1 12 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.768 -0.108 18091
4561 1 12 . 1 1 54 54 VAL C C 572 177.620 177.620 177.722 -0.102 18091
4562 1 12 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.628 -0.528 18091
4563 1 12 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.885 0.325 18091
4564 1 12 . 1 1 54 54 VAL H H 572 7.330 7.330 7.753 -0.423 18091
4565 1 12 . 1 1 55 55 PHE N N 573 121.090 121.090 121.527 -0.437 18091
4566 1 12 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.037 -0.147 18091
4567 1 12 . 1 1 55 55 PHE C C 573 176.760 176.760 177.006 -0.246 18091
4568 1 12 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.919 0.311 18091
4569 1 12 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.951 -0.331 18091
4570 1 12 . 1 1 55 55 PHE H H 573 8.700 8.700 8.646 0.054 18091
4571 1 12 . 1 1 56 56 LYS N N 574 116.910 116.910 119.490 -2.580 18091
4572 1 12 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.773 0.017 18091
4573 1 12 . 1 1 56 56 LYS C C 574 178.980 178.980 178.824 0.156 18091
4574 1 12 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.687 -0.207 18091
4575 1 12 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.456 -0.256 18091
4576 1 12 . 1 1 56 56 LYS H H 574 7.800 7.800 7.841 -0.041 18091
4577 1 12 . 1 1 57 57 LYS N N 575 119.120 119.120 119.138 -0.018 18091
4578 1 12 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.010 -0.100 18091
4579 1 12 . 1 1 57 57 LYS C C 575 178.520 178.520 179.163 -0.643 18091
4580 1 12 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.480 0.470 18091
4581 1 12 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.431 0.629 18091
4582 1 12 . 1 1 57 57 LYS H H 575 7.170 7.170 7.310 -0.140 18091
4583 1 12 . 1 1 58 58 ILE N N 576 119.180 119.180 119.202 -0.022 18091
4584 1 12 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.759 -0.439 18091
4585 1 12 . 1 1 58 58 ILE C C 576 177.820 177.820 178.531 -0.711 18091
4586 1 12 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.156 0.374 18091
4587 1 12 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.060 -0.810 18091
4588 1 12 . 1 1 58 58 ILE H H 576 8.300 8.300 8.558 -0.258 18091
4589 1 12 . 1 1 59 59 GLN N N 577 118.000 118.000 118.327 -0.327 18091
4590 1 12 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.783 -0.113 18091
4591 1 12 . 1 1 59 59 GLN C C 577 179.250 179.250 178.321 0.929 18091
4592 1 12 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.409 -0.289 18091
4593 1 12 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.255 -0.415 18091
4594 1 12 . 1 1 59 59 GLN H H 577 8.180 8.180 7.781 0.399 18091
4595 1 12 . 1 1 60 60 THR N N 578 118.670 118.670 117.404 1.266 18091
4596 1 12 . 1 1 60 60 THR HA H 578 3.760 3.760 3.899 -0.139 18091
4597 1 12 . 1 1 60 60 THR C C 578 176.060 176.060 176.415 -0.355 18091
4598 1 12 . 1 1 60 60 THR CA C 578 66.890 66.890 67.545 -0.655 18091
4599 1 12 . 1 1 60 60 THR CB C 578 68.030 68.030 68.460 -0.430 18091
4600 1 12 . 1 1 60 60 THR H H 578 7.780 7.780 7.589 0.191 18091
4601 1 12 . 1 1 61 61 LEU N N 579 120.680 120.680 120.493 0.187 18091
4602 1 12 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.978 -0.128 18091
4603 1 12 . 1 1 61 61 LEU C C 579 179.590 179.590 178.428 1.162 18091
4604 1 12 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.712 -0.062 18091
4605 1 12 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.388 -0.408 18091
4606 1 12 . 1 1 61 61 LEU H H 579 7.620 7.620 7.349 0.271 18091
4607 1 12 . 1 1 62 62 ILE N N 580 122.880 122.880 120.089 2.791 18091
4608 1 12 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.633 0.397 18091
4609 1 12 . 1 1 62 62 ILE C C 580 180.260 180.260 178.688 1.572 18091
4610 1 12 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.234 -0.504 18091
4611 1 12 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.561 0.749 18091
4612 1 12 . 1 1 62 62 ILE H H 580 8.540 8.540 7.458 1.082 18091
4613 1 12 . 1 1 63 63 ALA N N 581 124.510 124.510 122.898 1.612 18091
4614 1 12 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.048 -0.078 18091
4615 1 12 . 1 1 63 63 ALA C C 581 179.000 179.000 178.473 0.527 18091
4616 1 12 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.516 0.325 18091
4617 1 12 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.254 -0.754 18091
4618 1 12 . 1 1 63 63 ALA H H 581 8.120 8.120 8.087 0.033 18091
4619 1 12 . 1 1 64 64 ALA N N 582 116.250 116.250 118.669 -2.419 18091
4620 1 12 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.268 -0.128 18091
4621 1 12 . 1 1 64 64 ALA C C 582 177.040 177.040 177.659 -0.619 18091
4622 1 12 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.899 0.281 18091
4623 1 12 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.176 0.684 18091
4624 1 12 . 1 1 64 64 ALA H H 582 7.470 7.470 7.374 0.096 18091
4625 1 12 . 1 1 65 65 GLY N N 583 104.540 104.540 106.522 -1.982 18091
4626 1 12 . 1 1 65 65 GLY C C 583 174.180 174.180 174.955 -0.775 18091
4627 1 12 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.876 -1.086 18091
4628 1 12 . 1 1 65 65 GLY H H 583 7.600 7.600 7.709 -0.109 18091
4629 1 12 . 1 1 66 66 ILE N N 584 118.630 118.630 117.595 1.035 18091
4630 1 12 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.806 -0.046 18091
4631 1 12 . 1 1 66 66 ILE C C 584 175.660 175.660 175.426 0.234 18091
4632 1 12 . 1 1 66 66 ILE CA C 584 61.550 61.550 61.893 -0.343 18091
4633 1 12 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.569 -0.959 18091
4634 1 12 . 1 1 66 66 ILE H H 584 7.590 7.590 7.718 -0.128 18091
4635 1 12 . 1 1 67 67 ILE N N 585 116.360 116.360 118.437 -2.077 18091
4636 1 12 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.312 -0.142 18091
4637 1 12 . 1 1 67 67 ILE C C 585 174.370 174.370 173.767 0.603 18091
4638 1 12 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.084 -0.604 18091
4639 1 12 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.152 -1.522 18091
4640 1 12 . 1 1 67 67 ILE H H 585 6.490 6.490 7.331 -0.841 18091
4641 1 12 . 1 1 68 68 ARG N N 586 125.450 125.450 121.619 3.831 18091
4642 1 12 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.689 -0.309 18091
4643 1 12 . 1 1 68 68 ARG C C 586 175.720 175.720 176.152 -0.432 18091
4644 1 12 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.936 -1.016 18091
4645 1 12 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.870 -0.550 18091
4646 1 12 . 1 1 68 68 ARG H H 586 8.500 8.500 8.533 -0.033 18091
4647 1 12 . 1 1 69 69 THR N N 587 113.710 113.710 115.136 -1.426 18091
4648 1 12 . 1 1 69 69 THR HA H 587 4.300 4.300 4.388 -0.088 18091
4649 1 12 . 1 1 69 69 THR C C 587 174.760 174.760 175.611 -0.851 18091
4650 1 12 . 1 1 69 69 THR CA C 587 61.300 61.300 61.945 -0.645 18091
4651 1 12 . 1 1 69 69 THR CB C 587 69.720 69.720 69.275 0.445 18091
4652 1 12 . 1 1 69 69 THR H H 587 8.250 8.250 8.760 -0.510 18091
4653 1 12 . 1 1 70 70 GLY N N 588 110.720 110.720 113.205 -2.485 18091
4654 1 12 . 1 1 70 70 GLY C C 588 172.820 172.820 174.357 -1.537 18091
4655 1 12 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.227 -0.067 18091
4656 1 12 . 1 1 70 70 GLY H H 588 8.230 8.230 8.388 -0.158 18091
4657 1 13 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.425 -0.195 18091
4658 1 13 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.468 -0.218 18091
4659 1 13 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.434 -0.474 18091
4660 1 13 . 1 1 3 3 GLY N N 521 109.400 109.400 107.311 2.089 18091
4661 1 13 . 1 1 3 3 GLY C C 521 174.300 174.300 173.920 0.380 18091
4662 1 13 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.164 0.015 18091
4663 1 13 . 1 1 3 3 GLY H H 521 8.490 8.490 7.983 0.507 18091
4664 1 13 . 1 1 4 4 THR N N 522 112.480 112.480 111.798 0.682 18091
4665 1 13 . 1 1 4 4 THR HA H 522 4.300 4.300 4.320 -0.020 18091
4666 1 13 . 1 1 4 4 THR C C 522 174.690 174.690 175.338 -0.648 18091
4667 1 13 . 1 1 4 4 THR CA C 522 61.240 61.240 62.332 -1.092 18091
4668 1 13 . 1 1 4 4 THR CB C 522 69.960 69.960 69.326 0.634 18091
4669 1 13 . 1 1 4 4 THR H H 522 7.860 7.860 8.092 -0.232 18091
4670 1 13 . 1 1 5 5 SER N N 523 117.450 117.450 117.286 0.164 18091
4671 1 13 . 1 1 5 5 SER HA H 523 3.890 3.890 4.574 -0.684 18091
4672 1 13 . 1 1 5 5 SER C C 523 173.320 173.320 175.059 -1.739 18091
4673 1 13 . 1 1 5 5 SER CA C 523 58.460 58.460 57.455 1.005 18091
4674 1 13 . 1 1 5 5 SER CB C 523 63.690 63.690 65.613 -1.923 18091
4675 1 13 . 1 1 5 5 SER H H 523 8.300 8.300 7.743 0.557 18091
4676 1 13 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.536 -0.186 18091
4677 1 13 . 1 1 6 6 ASN C C 524 174.670 174.670 175.579 -0.909 18091
4678 1 13 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.452 -1.392 18091
4679 1 13 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.032 -0.323 18091
4680 1 13 . 1 1 7 7 GLU N N 525 120.970 120.970 120.401 0.569 18091
4681 1 13 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.362 -0.022 18091
4682 1 13 . 1 1 7 7 GLU C C 525 176.900 176.900 176.237 0.663 18091
4683 1 13 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.576 0.464 18091
4684 1 13 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.450 0.620 18091
4685 1 13 . 1 1 7 7 GLU H H 525 7.970 7.970 8.099 -0.129 18091
4686 1 13 . 1 1 8 8 THR N N 526 116.960 116.960 118.238 -1.278 18091
4687 1 13 . 1 1 8 8 THR HA H 526 4.540 4.540 4.652 -0.112 18091
4688 1 13 . 1 1 8 8 THR C C 526 173.410 173.410 173.861 -0.451 18091
4689 1 13 . 1 1 8 8 THR CA C 526 60.080 60.080 60.167 -0.087 18091
4690 1 13 . 1 1 8 8 THR CB C 526 68.500 68.500 68.728 -0.228 18091
4691 1 13 . 1 1 8 8 THR H H 526 8.630 8.630 8.604 0.026 18091
4692 1 13 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.434 -0.244 18091
4693 1 13 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.543 0.567 18091
4694 1 13 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.983 -0.403 18091
4695 1 13 . 1 1 10 10 GLU N N 528 118.610 118.610 117.145 1.465 18091
4696 1 13 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.855 0.125 18091
4697 1 13 . 1 1 10 10 GLU C C 528 178.550 178.550 178.593 -0.043 18091
4698 1 13 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.866 -0.286 18091
4699 1 13 . 1 1 10 10 GLU CB C 528 28.990 28.990 28.631 0.358 18091
4700 1 13 . 1 1 10 10 GLU H H 528 8.550 8.550 8.630 -0.080 18091
4701 1 13 . 1 1 11 11 GLU N N 529 121.090 121.090 119.561 1.529 18091
4702 1 13 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.107 -0.177 18091
4703 1 13 . 1 1 11 11 GLU C C 529 179.470 179.470 178.747 0.723 18091
4704 1 13 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.400 -0.450 18091
4705 1 13 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.593 -0.113 18091
4706 1 13 . 1 1 11 11 GLU H H 529 7.870 7.870 7.724 0.146 18091
4707 1 13 . 1 1 12 12 THR N N 530 118.050 118.050 116.615 1.435 18091
4708 1 13 . 1 1 12 12 THR HA H 530 3.750 3.750 4.059 -0.309 18091
4709 1 13 . 1 1 12 12 THR C C 530 175.770 175.770 176.713 -0.943 18091
4710 1 13 . 1 1 12 12 THR CA C 530 66.320 66.320 67.447 -1.127 18091
4711 1 13 . 1 1 12 12 THR CB C 530 68.430 68.430 68.867 -0.437 18091
4712 1 13 . 1 1 12 12 THR H H 530 8.390 8.390 7.654 0.736 18091
4713 1 13 . 1 1 13 13 TYR N N 531 122.280 122.280 120.915 1.365 18091
4714 1 13 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.071 -0.251 18091
4715 1 13 . 1 1 13 13 TYR C C 531 176.420 176.420 178.226 -1.806 18091
4716 1 13 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.860 -0.420 18091
4717 1 13 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.472 0.638 18091
4718 1 13 . 1 1 13 13 TYR H H 531 8.050 8.050 8.103 -0.053 18091
4719 1 13 . 1 1 14 14 GLN N N 532 116.250 116.250 118.113 -1.863 18091
4720 1 13 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.942 -0.252 18091
4721 1 13 . 1 1 14 14 GLN C C 532 178.800 178.800 178.597 0.203 18091
4722 1 13 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.247 -0.627 18091
4723 1 13 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.475 -0.415 18091
4724 1 13 . 1 1 14 14 GLN H H 532 8.010 8.010 7.941 0.069 18091
4725 1 13 . 1 1 15 15 ARG N N 533 118.730 118.730 119.394 -0.664 18091
4726 1 13 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.021 -0.101 18091
4727 1 13 . 1 1 15 15 ARG C C 533 179.030 179.030 179.021 0.009 18091
4728 1 13 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.092 0.048 18091
4729 1 13 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.088 -0.288 18091
4730 1 13 . 1 1 15 15 ARG H H 533 7.800 7.800 7.848 -0.048 18091
4731 1 13 . 1 1 16 16 ALA N N 534 123.500 123.500 121.869 1.631 18091
4732 1 13 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.010 -0.050 18091
4733 1 13 . 1 1 16 16 ALA C C 534 178.860 178.860 179.503 -0.643 18091
4734 1 13 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.628 0.042 18091
4735 1 13 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.358 0.372 18091
4736 1 13 . 1 1 16 16 ALA H H 534 8.210 8.210 8.040 0.170 18091
4737 1 13 . 1 1 17 17 MET N N 535 111.910 111.910 116.351 -4.441 18091
4738 1 13 . 1 1 17 17 MET HA H 535 4.020 4.020 4.153 -0.133 18091
4739 1 13 . 1 1 17 17 MET C C 535 176.890 176.890 177.309 -0.419 18091
4740 1 13 . 1 1 17 17 MET CA C 535 55.200 55.200 57.802 -2.602 18091
4741 1 13 . 1 1 17 17 MET CB C 535 31.110 31.110 32.548 -1.438 18091
4742 1 13 . 1 1 17 17 MET H H 535 7.480 7.480 7.966 -0.486 18091
4743 1 13 . 1 1 18 18 LYS N N 536 116.840 116.840 117.278 -0.438 18091
4744 1 13 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.146 -0.156 18091
4745 1 13 . 1 1 18 18 LYS C C 536 176.690 176.690 176.380 0.310 18091
4746 1 13 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.025 -0.435 18091
4747 1 13 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.463 -0.123 18091
4748 1 13 . 1 1 18 18 LYS H H 536 7.180 7.180 7.258 -0.078 18091
4749 1 13 . 1 1 19 19 ASP N N 537 122.680 122.680 121.359 1.321 18091
4750 1 13 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.882 -0.082 18091
4751 1 13 . 1 1 19 19 ASP C C 537 174.720 174.720 175.561 -0.841 18091
4752 1 13 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.132 -0.042 18091
4753 1 13 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.824 0.146 18091
4754 1 13 . 1 1 19 19 ASP H H 537 7.530 7.530 7.618 -0.088 18091
4755 1 13 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.237 -0.097 18091
4756 1 13 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.801 -0.051 18091
4757 1 13 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.090 0.029 18091
4758 1 13 . 1 1 21 21 GLU N N 539 118.590 118.590 117.834 0.756 18091
4759 1 13 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.045 -0.035 18091
4760 1 13 . 1 1 21 21 GLU C C 539 179.010 179.010 178.923 0.087 18091
4761 1 13 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.165 -0.315 18091
4762 1 13 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.195 0.145 18091
4763 1 13 . 1 1 21 21 GLU H H 539 8.200 8.200 7.832 0.368 18091
4764 1 13 . 1 1 22 22 VAL N N 540 120.690 120.690 120.058 0.632 18091
4765 1 13 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.596 -0.366 18091
4766 1 13 . 1 1 22 22 VAL C C 540 177.740 177.740 177.895 -0.155 18091
4767 1 13 . 1 1 22 22 VAL CA C 540 66.090 66.090 65.641 0.449 18091
4768 1 13 . 1 1 22 22 VAL CB C 540 31.350 31.350 30.858 0.492 18091
4769 1 13 . 1 1 22 22 VAL H H 540 7.350 7.350 7.635 -0.284 18091
4770 1 13 . 1 1 23 23 ALA N N 541 121.460 121.460 122.370 -0.910 18091
4771 1 13 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.904 -0.134 18091
4772 1 13 . 1 1 23 23 ALA C C 541 179.660 179.660 179.081 0.579 18091
4773 1 13 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.222 0.168 18091
4774 1 13 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.018 -0.308 18091
4775 1 13 . 1 1 23 23 ALA H H 541 8.430 8.430 7.470 0.960 18091
4776 1 13 . 1 1 24 24 ALA N N 542 117.000 117.000 120.996 -3.996 18091
4777 1 13 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.028 -0.088 18091
4778 1 13 . 1 1 24 24 ALA C C 542 180.880 180.880 179.547 1.333 18091
4779 1 13 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.646 0.054 18091
4780 1 13 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.557 -0.607 18091
4781 1 13 . 1 1 24 24 ALA H H 542 7.380 7.380 7.656 -0.276 18091
4782 1 13 . 1 1 25 25 ILE N N 543 119.750 119.750 118.155 1.595 18091
4783 1 13 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.653 0.037 18091
4784 1 13 . 1 1 25 25 ILE C C 543 177.450 177.450 178.667 -1.217 18091
4785 1 13 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.888 0.072 18091
4786 1 13 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.040 0.240 18091
4787 1 13 . 1 1 25 25 ILE H H 543 7.380 7.380 7.507 -0.127 18091
4788 1 13 . 1 1 26 26 MET N N 544 113.830 113.830 118.154 -4.324 18091
4789 1 13 . 1 1 26 26 MET HA H 544 4.140 4.140 4.069 0.071 18091
4790 1 13 . 1 1 26 26 MET C C 544 177.680 177.680 177.802 -0.122 18091
4791 1 13 . 1 1 26 26 MET CA C 544 55.660 55.660 58.729 -3.069 18091
4792 1 13 . 1 1 26 26 MET CB C 544 30.690 30.690 32.634 -1.944 18091
4793 1 13 . 1 1 26 26 MET H H 544 7.870 7.870 7.793 0.077 18091
4794 1 13 . 1 1 27 27 GLN N N 545 115.210 115.210 115.530 -0.320 18091
4795 1 13 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.307 -0.227 18091
4796 1 13 . 1 1 27 27 GLN C C 545 175.170 175.170 175.588 -0.418 18091
4797 1 13 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.854 -0.414 18091
4798 1 13 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.222 -0.232 18091
4799 1 13 . 1 1 27 27 GLN H H 545 7.340 7.340 7.429 -0.089 18091
4800 1 13 . 1 1 28 28 ASP N N 546 123.270 123.270 120.043 3.227 18091
4801 1 13 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.969 -0.249 18091
4802 1 13 . 1 1 28 28 ASP C C 546 175.220 175.220 175.385 -0.165 18091
4803 1 13 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.658 0.682 18091
4804 1 13 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.355 0.025 18091
4805 1 13 . 1 1 28 28 ASP H H 546 7.320 7.320 7.649 -0.329 18091
4806 1 13 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.381 -0.261 18091
4807 1 13 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.896 1.024 18091
4808 1 13 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.642 -0.382 18091
4809 1 13 . 1 1 30 30 VAL N N 548 119.870 119.870 118.880 0.990 18091
4810 1 13 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.642 -0.062 18091
4811 1 13 . 1 1 30 30 VAL C C 548 179.010 179.010 178.169 0.841 18091
4812 1 13 . 1 1 30 30 VAL CA C 548 66.000 66.000 65.884 0.116 18091
4813 1 13 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.639 -0.528 18091
4814 1 13 . 1 1 30 30 VAL H H 548 8.000 8.000 7.826 0.174 18091
4815 1 13 . 1 1 31 31 MET N N 549 118.270 118.270 116.923 1.347 18091
4816 1 13 . 1 1 31 31 MET HA H 549 4.340 4.340 3.920 0.420 18091
4817 1 13 . 1 1 31 31 MET C C 549 178.830 178.830 178.003 0.827 18091
4818 1 13 . 1 1 31 31 MET CA C 549 55.140 55.140 59.171 -4.031 18091
4819 1 13 . 1 1 31 31 MET CB C 549 28.840 28.840 32.032 -3.192 18091
4820 1 13 . 1 1 31 31 MET H H 549 7.250 7.250 7.604 -0.354 18091
4821 1 13 . 1 1 32 32 GLN N N 550 118.190 118.190 119.387 -1.197 18091
4822 1 13 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.952 -0.212 18091
4823 1 13 . 1 1 32 32 GLN C C 550 178.840 178.840 178.254 0.586 18091
4824 1 13 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.395 0.025 18091
4825 1 13 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.447 -0.787 18091
4826 1 13 . 1 1 32 32 GLN H H 550 8.310 8.310 7.944 0.366 18091
4827 1 13 . 1 1 33 33 SER N N 551 114.010 114.010 115.260 -1.250 18091
4828 1 13 . 1 1 33 33 SER HA H 551 4.140 4.140 4.222 -0.082 18091
4829 1 13 . 1 1 33 33 SER C C 551 176.840 176.840 176.807 0.033 18091
4830 1 13 . 1 1 33 33 SER CA C 551 61.330 61.330 62.074 -0.744 18091
4831 1 13 . 1 1 33 33 SER CB C 551 62.450 62.450 62.833 -0.383 18091
4832 1 13 . 1 1 33 33 SER H H 551 7.570 7.570 7.586 -0.016 18091
4833 1 13 . 1 1 34 34 ILE N N 552 123.490 123.490 123.311 0.179 18091
4834 1 13 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.525 -0.245 18091
4835 1 13 . 1 1 34 34 ILE C C 552 177.630 177.630 177.893 -0.263 18091
4836 1 13 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.685 0.995 18091
4837 1 13 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.296 0.424 18091
4838 1 13 . 1 1 34 34 ILE H H 552 7.600 7.600 7.476 0.124 18091
4839 1 13 . 1 1 35 35 LEU N N 553 119.520 119.520 119.490 0.030 18091
4840 1 13 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.797 -0.047 18091
4841 1 13 . 1 1 35 35 LEU C C 553 179.440 179.440 179.074 0.366 18091
4842 1 13 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.126 -0.176 18091
4843 1 13 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.258 -0.558 18091
4844 1 13 . 1 1 35 35 LEU H H 553 8.330 8.330 7.690 0.640 18091
4845 1 13 . 1 1 36 36 GLN N N 554 118.590 118.590 118.356 0.234 18091
4846 1 13 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.864 0.056 18091
4847 1 13 . 1 1 36 36 GLN C C 554 178.560 178.560 178.529 0.031 18091
4848 1 13 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.234 -0.574 18091
4849 1 13 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.576 -0.516 18091
4850 1 13 . 1 1 36 36 GLN H H 554 7.800 7.800 7.803 -0.003 18091
4851 1 13 . 1 1 37 37 GLN N N 555 119.520 119.520 118.735 0.785 18091
4852 1 13 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.015 -0.085 18091
4853 1 13 . 1 1 37 37 GLN C C 555 178.400 178.400 178.593 -0.193 18091
4854 1 13 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.558 -0.028 18091
4855 1 13 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.670 0.120 18091
4856 1 13 . 1 1 37 37 GLN H H 555 7.990 7.990 8.041 -0.051 18091
4857 1 13 . 1 1 38 38 ALA N N 556 120.730 120.730 120.700 0.030 18091
4858 1 13 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.310 -0.200 18091
4859 1 13 . 1 1 38 38 ALA C C 556 178.310 178.310 179.480 -1.170 18091
4860 1 13 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.401 -0.901 18091
4861 1 13 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.345 0.025 18091
4862 1 13 . 1 1 38 38 ALA H H 556 8.310 8.310 8.200 0.110 18091
4863 1 13 . 1 1 39 39 GLN N N 557 115.600 115.600 118.727 -3.127 18091
4864 1 13 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.106 -0.146 18091
4865 1 13 . 1 1 39 39 GLN C C 557 177.260 177.260 178.334 -1.074 18091
4866 1 13 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.107 -0.187 18091
4867 1 13 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.663 -0.183 18091
4868 1 13 . 1 1 39 39 GLN H H 557 7.530 7.530 7.745 -0.215 18091
4869 1 13 . 1 1 40 40 GLN N N 558 115.310 115.310 116.458 -1.148 18091
4870 1 13 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.228 -0.048 18091
4871 1 13 . 1 1 40 40 GLN C C 558 176.030 176.030 176.132 -0.102 18091
4872 1 13 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.184 -0.634 18091
4873 1 13 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.940 -0.620 18091
4874 1 13 . 1 1 40 40 GLN H H 558 7.350 7.350 7.654 -0.304 18091
4875 1 13 . 1 1 41 41 ASN N N 559 114.850 114.850 115.988 -1.138 18091
4876 1 13 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.032 -0.083 18091
4877 1 13 . 1 1 41 41 ASN C C 559 172.420 172.420 173.485 -1.065 18091
4878 1 13 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.183 -0.753 18091
4879 1 13 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.814 -1.934 18091
4880 1 13 . 1 1 41 41 ASN H H 559 7.900 7.900 7.980 -0.080 18091
4881 1 13 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.438 -0.108 18091
4882 1 13 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.960 0.040 18091
4883 1 13 . 1 1 42 42 PRO CB C 560 31.680 31.680 31.975 -0.295 18091
4884 1 13 . 1 1 43 43 ALA N N 561 119.920 119.920 122.014 -2.094 18091
4885 1 13 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.237 -0.107 18091
4886 1 13 . 1 1 43 43 ALA C C 561 179.510 179.510 178.883 0.627 18091
4887 1 13 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.232 -0.182 18091
4888 1 13 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.029 0.021 18091
4889 1 13 . 1 1 43 43 ALA H H 561 7.850 7.850 7.990 -0.140 18091
4890 1 13 . 1 1 44 44 ALA N N 562 120.790 120.790 120.708 0.082 18091
4891 1 13 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.336 -0.316 18091
4892 1 13 . 1 1 44 44 ALA C C 562 179.570 179.570 179.053 0.517 18091
4893 1 13 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.520 -0.400 18091
4894 1 13 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.676 -0.476 18091
4895 1 13 . 1 1 44 44 ALA H H 562 7.980 7.980 7.703 0.277 18091
4896 1 13 . 1 1 45 45 LEU N N 563 116.420 116.420 116.849 -0.429 18091
4897 1 13 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.445 -0.465 18091
4898 1 13 . 1 1 45 45 LEU C C 563 178.220 178.220 178.684 -0.464 18091
4899 1 13 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.356 0.284 18091
4900 1 13 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.389 0.301 18091
4901 1 13 . 1 1 45 45 LEU H H 563 7.510 7.510 7.476 0.035 18091
4902 1 13 . 1 1 46 46 GLN N N 564 115.510 115.510 119.213 -3.703 18091
4903 1 13 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.958 -0.098 18091
4904 1 13 . 1 1 46 46 GLN C C 564 178.300 178.300 178.391 -0.091 18091
4905 1 13 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.429 -0.709 18091
4906 1 13 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.392 -0.372 18091
4907 1 13 . 1 1 46 46 GLN H H 564 7.510 7.510 7.689 -0.179 18091
4908 1 13 . 1 1 47 47 GLU N N 565 117.680 117.680 118.633 -0.953 18091
4909 1 13 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.936 -0.036 18091
4910 1 13 . 1 1 47 47 GLU C C 565 179.070 179.070 179.111 -0.041 18091
4911 1 13 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.948 -0.568 18091
4912 1 13 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.982 0.008 18091
4913 1 13 . 1 1 47 47 GLU H H 565 7.440 7.440 7.818 -0.378 18091
4914 1 13 . 1 1 48 48 HIS N N 566 118.220 118.220 119.134 -0.914 18091
4915 1 13 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.304 0.076 18091
4916 1 13 . 1 1 48 48 HIS C C 566 177.280 177.280 176.718 0.562 18091
4917 1 13 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.882 -0.022 18091
4918 1 13 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.728 1.712 18091
4919 1 13 . 1 1 48 48 HIS H H 566 7.420 7.420 7.622 -0.202 18091
4920 1 13 . 1 1 49 49 MET N N 567 115.200 115.200 117.591 -2.391 18091
4921 1 13 . 1 1 49 49 MET HA H 567 3.840 3.840 4.261 -0.421 18091
4922 1 13 . 1 1 49 49 MET C C 567 175.260 175.260 178.063 -2.803 18091
4923 1 13 . 1 1 49 49 MET CA C 567 57.840 57.840 58.540 -0.700 18091
4924 1 13 . 1 1 49 49 MET CB C 567 33.080 33.080 32.783 0.297 18091
4925 1 13 . 1 1 49 49 MET H H 567 7.710 7.710 7.868 -0.158 18091
4926 1 13 . 1 1 50 50 LYS N N 568 116.040 116.040 116.767 -0.727 18091
4927 1 13 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.001 -0.041 18091
4928 1 13 . 1 1 50 50 LYS C C 568 176.220 176.220 177.333 -1.113 18091
4929 1 13 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.671 -0.281 18091
4930 1 13 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.432 -0.212 18091
4931 1 13 . 1 1 50 50 LYS H H 568 7.140 7.140 7.548 -0.408 18091
4932 1 13 . 1 1 51 51 ASN N N 569 119.600 119.600 119.426 0.174 18091
4933 1 13 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.728 0.292 18091
4934 1 13 . 1 1 51 51 ASN C C 569 173.920 173.920 175.184 -1.264 18091
4935 1 13 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.548 -2.598 18091
4936 1 13 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.994 -0.994 18091
4937 1 13 . 1 1 51 51 ASN H H 569 7.480 7.480 7.703 -0.223 18091
4938 1 13 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.299 -0.039 18091
4939 1 13 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.888 -0.778 18091
4940 1 13 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.168 0.102 18091
4941 1 13 . 1 1 53 53 GLU N N 571 116.870 116.870 118.214 -1.344 18091
4942 1 13 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.158 -0.088 18091
4943 1 13 . 1 1 53 53 GLU C C 571 178.830 178.830 179.038 -0.208 18091
4944 1 13 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.382 -0.502 18091
4945 1 13 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.654 -0.224 18091
4946 1 13 . 1 1 53 53 GLU H H 571 7.960 7.960 8.146 -0.186 18091
4947 1 13 . 1 1 54 54 VAL N N 572 118.290 118.290 119.314 -1.024 18091
4948 1 13 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.805 -0.145 18091
4949 1 13 . 1 1 54 54 VAL C C 572 177.620 177.620 177.902 -0.282 18091
4950 1 13 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.908 -0.808 18091
4951 1 13 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.438 0.772 18091
4952 1 13 . 1 1 54 54 VAL H H 572 7.330 7.330 7.771 -0.441 18091
4953 1 13 . 1 1 55 55 PHE N N 573 121.090 121.090 122.233 -1.143 18091
4954 1 13 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.198 -0.308 18091
4955 1 13 . 1 1 55 55 PHE C C 573 176.760 176.760 177.216 -0.456 18091
4956 1 13 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.713 0.517 18091
4957 1 13 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.821 -0.201 18091
4958 1 13 . 1 1 55 55 PHE H H 573 8.700 8.700 8.905 -0.205 18091
4959 1 13 . 1 1 56 56 LYS N N 574 116.910 116.910 118.782 -1.872 18091
4960 1 13 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.720 0.070 18091
4961 1 13 . 1 1 56 56 LYS C C 574 178.980 178.980 179.001 -0.021 18091
4962 1 13 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.460 0.020 18091
4963 1 13 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.270 -0.070 18091
4964 1 13 . 1 1 56 56 LYS H H 574 7.800 7.800 7.774 0.026 18091
4965 1 13 . 1 1 57 57 LYS N N 575 119.120 119.120 119.770 -0.650 18091
4966 1 13 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.978 -0.068 18091
4967 1 13 . 1 1 57 57 LYS C C 575 178.520 178.520 179.021 -0.501 18091
4968 1 13 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.532 0.417 18091
4969 1 13 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.362 0.698 18091
4970 1 13 . 1 1 57 57 LYS H H 575 7.170 7.170 7.281 -0.111 18091
4971 1 13 . 1 1 58 58 ILE N N 576 119.180 119.180 119.002 0.178 18091
4972 1 13 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.731 -0.411 18091
4973 1 13 . 1 1 58 58 ILE C C 576 177.820 177.820 178.227 -0.407 18091
4974 1 13 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.974 0.556 18091
4975 1 13 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.931 -0.681 18091
4976 1 13 . 1 1 58 58 ILE H H 576 8.300 8.300 8.515 -0.215 18091
4977 1 13 . 1 1 59 59 GLN N N 577 118.000 118.000 118.660 -0.660 18091
4978 1 13 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.796 -0.126 18091
4979 1 13 . 1 1 59 59 GLN C C 577 179.250 179.250 178.308 0.942 18091
4980 1 13 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.511 -0.391 18091
4981 1 13 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.300 -0.460 18091
4982 1 13 . 1 1 59 59 GLN H H 577 8.180 8.180 7.807 0.373 18091
4983 1 13 . 1 1 60 60 THR N N 578 118.670 118.670 117.367 1.303 18091
4984 1 13 . 1 1 60 60 THR HA H 578 3.760 3.760 3.871 -0.111 18091
4985 1 13 . 1 1 60 60 THR C C 578 176.060 176.060 176.452 -0.392 18091
4986 1 13 . 1 1 60 60 THR CA C 578 66.890 66.890 67.534 -0.644 18091
4987 1 13 . 1 1 60 60 THR CB C 578 68.030 68.030 68.472 -0.442 18091
4988 1 13 . 1 1 60 60 THR H H 578 7.780 7.780 7.656 0.124 18091
4989 1 13 . 1 1 61 61 LEU N N 579 120.680 120.680 120.597 0.083 18091
4990 1 13 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.940 -0.090 18091
4991 1 13 . 1 1 61 61 LEU C C 579 179.590 179.590 178.498 1.092 18091
4992 1 13 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.721 -0.071 18091
4993 1 13 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.327 -0.347 18091
4994 1 13 . 1 1 61 61 LEU H H 579 7.620 7.620 7.325 0.295 18091
4995 1 13 . 1 1 62 62 ILE N N 580 122.880 122.880 120.456 2.424 18091
4996 1 13 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.874 0.156 18091
4997 1 13 . 1 1 62 62 ILE C C 580 180.260 180.260 179.104 1.156 18091
4998 1 13 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.927 -0.197 18091
4999 1 13 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.686 0.624 18091
5000 1 13 . 1 1 62 62 ILE H H 580 8.540 8.540 7.538 1.002 18091
5001 1 13 . 1 1 63 63 ALA N N 581 124.510 124.510 122.959 1.551 18091
5002 1 13 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.040 -0.070 18091
5003 1 13 . 1 1 63 63 ALA C C 581 179.000 179.000 178.741 0.259 18091
5004 1 13 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091
5005 1 13 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.332 -0.832 18091
5006 1 13 . 1 1 63 63 ALA H H 581 8.120 8.120 8.025 0.095 18091
5007 1 13 . 1 1 64 64 ALA N N 582 116.250 116.250 118.398 -2.148 18091
5008 1 13 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.249 -0.109 18091
5009 1 13 . 1 1 64 64 ALA C C 582 177.040 177.040 177.627 -0.587 18091
5010 1 13 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.750 0.430 18091
5011 1 13 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.888 0.972 18091
5012 1 13 . 1 1 64 64 ALA H H 582 7.470 7.470 7.499 -0.029 18091
5013 1 13 . 1 1 65 65 GLY N N 583 104.540 104.540 106.120 -1.580 18091
5014 1 13 . 1 1 65 65 GLY C C 583 174.180 174.180 175.124 -0.944 18091
5015 1 13 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.888 -1.098 18091
5016 1 13 . 1 1 65 65 GLY H H 583 7.600 7.600 7.610 -0.010 18091
5017 1 13 . 1 1 66 66 ILE N N 584 118.630 118.630 118.192 0.438 18091
5018 1 13 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.771 -0.011 18091
5019 1 13 . 1 1 66 66 ILE C C 584 175.660 175.660 174.947 0.713 18091
5020 1 13 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.716 -1.166 18091
5021 1 13 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.337 -0.727 18091
5022 1 13 . 1 1 66 66 ILE H H 584 7.590 7.590 7.740 -0.150 18091
5023 1 13 . 1 1 67 67 ILE N N 585 116.360 116.360 117.692 -1.332 18091
5024 1 13 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.391 -0.221 18091
5025 1 13 . 1 1 67 67 ILE C C 585 174.370 174.370 175.016 -0.646 18091
5026 1 13 . 1 1 67 67 ILE CA C 585 59.480 59.480 59.894 -0.414 18091
5027 1 13 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.032 -1.401 18091
5028 1 13 . 1 1 67 67 ILE H H 585 6.490 6.490 7.224 -0.734 18091
5029 1 13 . 1 1 68 68 ARG N N 586 125.450 125.450 127.609 -2.159 18091
5030 1 13 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.517 -0.137 18091
5031 1 13 . 1 1 68 68 ARG C C 586 175.720 175.720 176.630 -0.910 18091
5032 1 13 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.820 -0.900 18091
5033 1 13 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.447 2.873 18091
5034 1 13 . 1 1 68 68 ARG H H 586 8.500 8.500 8.828 -0.328 18091
5035 1 13 . 1 1 69 69 THR N N 587 113.710 113.710 114.310 -0.600 18091
5036 1 13 . 1 1 69 69 THR HA H 587 4.300 4.300 3.815 0.485 18091
5037 1 13 . 1 1 69 69 THR C C 587 174.760 174.760 174.680 0.080 18091
5038 1 13 . 1 1 69 69 THR CA C 587 61.300 61.300 63.782 -2.482 18091
5039 1 13 . 1 1 69 69 THR CB C 587 69.720 69.720 68.047 1.673 18091
5040 1 13 . 1 1 69 69 THR H H 587 8.250 8.250 8.322 -0.072 18091
5041 1 13 . 1 1 70 70 GLY N N 588 110.720 110.720 110.686 0.034 18091
5042 1 13 . 1 1 70 70 GLY C C 588 172.820 172.820 172.330 0.490 18091
5043 1 13 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.170 -0.010 18091
5044 1 13 . 1 1 70 70 GLY H H 588 8.230 8.230 8.186 0.044 18091
5045 1 14 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.601 -0.371 18091
5046 1 14 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.967 0.283 18091
5047 1 14 . 1 1 2 2 PRO CB C 520 31.960 31.960 33.068 -1.108 18091
5048 1 14 . 1 1 3 3 GLY N N 521 109.400 109.400 110.579 -1.179 18091
5049 1 14 . 1 1 3 3 GLY C C 521 174.300 174.300 174.793 -0.493 18091
5050 1 14 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.578 -0.398 18091
5051 1 14 . 1 1 3 3 GLY H H 521 8.490 8.490 8.940 -0.450 18091
5052 1 14 . 1 1 4 4 THR N N 522 112.480 112.480 113.050 -0.570 18091
5053 1 14 . 1 1 4 4 THR HA H 522 4.300 4.300 4.499 -0.199 18091
5054 1 14 . 1 1 4 4 THR C C 522 174.690 174.690 174.150 0.540 18091
5055 1 14 . 1 1 4 4 THR CA C 522 61.240 61.240 61.541 -0.301 18091
5056 1 14 . 1 1 4 4 THR CB C 522 69.960 69.960 70.512 -0.552 18091
5057 1 14 . 1 1 4 4 THR H H 522 7.860 7.860 7.794 0.066 18091
5058 1 14 . 1 1 5 5 SER N N 523 117.450 117.450 116.276 1.174 18091
5059 1 14 . 1 1 5 5 SER HA H 523 3.890 3.890 4.521 -0.631 18091
5060 1 14 . 1 1 5 5 SER C C 523 173.320 173.320 175.420 -2.100 18091
5061 1 14 . 1 1 5 5 SER CA C 523 58.460 58.460 57.943 0.517 18091
5062 1 14 . 1 1 5 5 SER CB C 523 63.690 63.690 64.343 -0.653 18091
5063 1 14 . 1 1 5 5 SER H H 523 8.300 8.300 8.387 -0.087 18091
5064 1 14 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.662 -0.312 18091
5065 1 14 . 1 1 6 6 ASN C C 524 174.670 174.670 175.930 -1.260 18091
5066 1 14 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.674 -1.614 18091
5067 1 14 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.847 -0.137 18091
5068 1 14 . 1 1 7 7 GLU N N 525 120.970 120.970 118.417 2.553 18091
5069 1 14 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.548 -0.208 18091
5070 1 14 . 1 1 7 7 GLU C C 525 176.900 176.900 175.086 1.814 18091
5071 1 14 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.328 -0.288 18091
5072 1 14 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.928 -0.858 18091
5073 1 14 . 1 1 7 7 GLU H H 525 7.970 7.970 8.461 -0.491 18091
5074 1 14 . 1 1 8 8 THR N N 526 116.960 116.960 114.575 2.385 18091
5075 1 14 . 1 1 8 8 THR HA H 526 4.540 4.540 4.804 -0.264 18091
5076 1 14 . 1 1 8 8 THR C C 526 173.410 173.410 173.503 -0.093 18091
5077 1 14 . 1 1 8 8 THR CA C 526 60.080 60.080 58.296 1.784 18091
5078 1 14 . 1 1 8 8 THR CB C 526 68.500 68.500 69.210 -0.710 18091
5079 1 14 . 1 1 8 8 THR H H 526 8.630 8.630 8.165 0.465 18091
5080 1 14 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.296 -0.106 18091
5081 1 14 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.554 0.556 18091
5082 1 14 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.019 -0.439 18091
5083 1 14 . 1 1 10 10 GLU N N 528 118.610 118.610 117.472 1.138 18091
5084 1 14 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.921 0.059 18091
5085 1 14 . 1 1 10 10 GLU C C 528 178.550 178.550 178.564 -0.014 18091
5086 1 14 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.607 -0.027 18091
5087 1 14 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.262 -0.272 18091
5088 1 14 . 1 1 10 10 GLU H H 528 8.550 8.550 8.852 -0.302 18091
5089 1 14 . 1 1 11 11 GLU N N 529 121.090 121.090 119.266 1.824 18091
5090 1 14 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.100 -0.170 18091
5091 1 14 . 1 1 11 11 GLU C C 529 179.470 179.470 178.852 0.618 18091
5092 1 14 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.375 -0.425 18091
5093 1 14 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.670 -0.190 18091
5094 1 14 . 1 1 11 11 GLU H H 529 7.870 7.870 7.804 0.066 18091
5095 1 14 . 1 1 12 12 THR N N 530 118.050 118.050 117.200 0.850 18091
5096 1 14 . 1 1 12 12 THR HA H 530 3.750 3.750 4.009 -0.259 18091
5097 1 14 . 1 1 12 12 THR C C 530 175.770 175.770 176.626 -0.856 18091
5098 1 14 . 1 1 12 12 THR CA C 530 66.320 66.320 67.311 -0.991 18091
5099 1 14 . 1 1 12 12 THR CB C 530 68.430 68.430 68.973 -0.543 18091
5100 1 14 . 1 1 12 12 THR H H 530 8.390 8.390 7.532 0.858 18091
5101 1 14 . 1 1 13 13 TYR N N 531 122.280 122.280 120.587 1.693 18091
5102 1 14 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.073 -0.253 18091
5103 1 14 . 1 1 13 13 TYR C C 531 176.420 176.420 178.099 -1.679 18091
5104 1 14 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.623 -0.183 18091
5105 1 14 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.575 0.535 18091
5106 1 14 . 1 1 13 13 TYR H H 531 8.050 8.050 8.094 -0.044 18091
5107 1 14 . 1 1 14 14 GLN N N 532 116.250 116.250 118.076 -1.826 18091
5108 1 14 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.919 -0.229 18091
5109 1 14 . 1 1 14 14 GLN C C 532 178.800 178.800 178.381 0.419 18091
5110 1 14 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.038 -0.418 18091
5111 1 14 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.518 -0.458 18091
5112 1 14 . 1 1 14 14 GLN H H 532 8.010 8.010 7.896 0.114 18091
5113 1 14 . 1 1 15 15 ARG N N 533 118.730 118.730 119.709 -0.979 18091
5114 1 14 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.017 -0.097 18091
5115 1 14 . 1 1 15 15 ARG C C 533 179.030 179.030 178.965 0.065 18091
5116 1 14 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.133 0.007 18091
5117 1 14 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.244 -0.444 18091
5118 1 14 . 1 1 15 15 ARG H H 533 7.800 7.800 7.853 -0.053 18091
5119 1 14 . 1 1 16 16 ALA N N 534 123.500 123.500 121.856 1.644 18091
5120 1 14 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.086 -0.126 18091
5121 1 14 . 1 1 16 16 ALA C C 534 178.860 178.860 179.928 -1.068 18091
5122 1 14 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.713 -0.043 18091
5123 1 14 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.194 0.536 18091
5124 1 14 . 1 1 16 16 ALA H H 534 8.210 8.210 7.963 0.247 18091
5125 1 14 . 1 1 17 17 MET N N 535 111.910 111.910 116.478 -4.568 18091
5126 1 14 . 1 1 17 17 MET HA H 535 4.020 4.020 4.201 -0.181 18091
5127 1 14 . 1 1 17 17 MET C C 535 176.890 176.890 177.273 -0.383 18091
5128 1 14 . 1 1 17 17 MET CA C 535 55.200 55.200 57.411 -2.211 18091
5129 1 14 . 1 1 17 17 MET CB C 535 31.110 31.110 32.594 -1.484 18091
5130 1 14 . 1 1 17 17 MET H H 535 7.480 7.480 7.952 -0.472 18091
5131 1 14 . 1 1 18 18 LYS N N 536 116.840 116.840 117.484 -0.644 18091
5132 1 14 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.173 -0.183 18091
5133 1 14 . 1 1 18 18 LYS C C 536 176.690 176.690 176.354 0.336 18091
5134 1 14 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.898 -0.308 18091
5135 1 14 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.462 -0.122 18091
5136 1 14 . 1 1 18 18 LYS H H 536 7.180 7.180 7.306 -0.126 18091
5137 1 14 . 1 1 19 19 ASP N N 537 122.680 122.680 121.306 1.374 18091
5138 1 14 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.905 -0.105 18091
5139 1 14 . 1 1 19 19 ASP C C 537 174.720 174.720 175.261 -0.541 18091
5140 1 14 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.132 -0.042 18091
5141 1 14 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.374 0.596 18091
5142 1 14 . 1 1 19 19 ASP H H 537 7.530 7.530 7.638 -0.108 18091
5143 1 14 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.231 -0.091 18091
5144 1 14 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.031 -0.281 18091
5145 1 14 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.070 0.050 18091
5146 1 14 . 1 1 21 21 GLU N N 539 118.590 118.590 117.702 0.888 18091
5147 1 14 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.071 -0.061 18091
5148 1 14 . 1 1 21 21 GLU C C 539 179.010 179.010 178.913 0.097 18091
5149 1 14 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.167 -0.317 18091
5150 1 14 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.160 0.180 18091
5151 1 14 . 1 1 21 21 GLU H H 539 8.200 8.200 8.344 -0.144 18091
5152 1 14 . 1 1 22 22 VAL N N 540 120.690 120.690 120.530 0.160 18091
5153 1 14 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.513 -0.283 18091
5154 1 14 . 1 1 22 22 VAL C C 540 177.740 177.740 177.655 0.085 18091
5155 1 14 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.233 -0.143 18091
5156 1 14 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.515 -0.165 18091
5157 1 14 . 1 1 22 22 VAL H H 540 7.350 7.350 7.591 -0.241 18091
5158 1 14 . 1 1 23 23 ALA N N 541 121.460 121.460 121.964 -0.504 18091
5159 1 14 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.931 -0.161 18091
5160 1 14 . 1 1 23 23 ALA C C 541 179.660 179.660 179.059 0.601 18091
5161 1 14 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.080 0.310 18091
5162 1 14 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.116 -0.406 18091
5163 1 14 . 1 1 23 23 ALA H H 541 8.430 8.430 7.632 0.798 18091
5164 1 14 . 1 1 24 24 ALA N N 542 117.000 117.000 121.141 -4.141 18091
5165 1 14 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.112 -0.172 18091
5166 1 14 . 1 1 24 24 ALA C C 542 180.880 180.880 179.123 1.757 18091
5167 1 14 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.630 0.070 18091
5168 1 14 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.282 -0.332 18091
5169 1 14 . 1 1 24 24 ALA H H 542 7.380 7.380 7.587 -0.207 18091
5170 1 14 . 1 1 25 25 ILE N N 543 119.750 119.750 118.162 1.588 18091
5171 1 14 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.772 -0.082 18091
5172 1 14 . 1 1 25 25 ILE C C 543 177.450 177.450 178.503 -1.053 18091
5173 1 14 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.413 0.547 18091
5174 1 14 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.197 0.083 18091
5175 1 14 . 1 1 25 25 ILE H H 543 7.380 7.380 7.418 -0.038 18091
5176 1 14 . 1 1 26 26 MET N N 544 113.830 113.830 117.484 -3.654 18091
5177 1 14 . 1 1 26 26 MET HA H 544 4.140 4.140 4.095 0.045 18091
5178 1 14 . 1 1 26 26 MET C C 544 177.680 177.680 177.893 -0.213 18091
5179 1 14 . 1 1 26 26 MET CA C 544 55.660 55.660 58.606 -2.946 18091
5180 1 14 . 1 1 26 26 MET CB C 544 30.690 30.690 32.633 -1.943 18091
5181 1 14 . 1 1 26 26 MET H H 544 7.870 7.870 7.686 0.184 18091
5182 1 14 . 1 1 27 27 GLN N N 545 115.210 115.210 115.677 -0.467 18091
5183 1 14 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.317 -0.237 18091
5184 1 14 . 1 1 27 27 GLN C C 545 175.170 175.170 175.559 -0.389 18091
5185 1 14 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.045 -0.605 18091
5186 1 14 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.414 -0.424 18091
5187 1 14 . 1 1 27 27 GLN H H 545 7.340 7.340 7.433 -0.093 18091
5188 1 14 . 1 1 28 28 ASP N N 546 123.270 123.270 119.212 4.058 18091
5189 1 14 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.018 -0.298 18091
5190 1 14 . 1 1 28 28 ASP C C 546 175.220 175.220 174.946 0.274 18091
5191 1 14 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.651 0.689 18091
5192 1 14 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.949 -0.569 18091
5193 1 14 . 1 1 28 28 ASP H H 546 7.320 7.320 7.872 -0.552 18091
5194 1 14 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.344 -0.224 18091
5195 1 14 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.990 0.930 18091
5196 1 14 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.534 -0.274 18091
5197 1 14 . 1 1 30 30 VAL N N 548 119.870 119.870 119.518 0.352 18091
5198 1 14 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.671 -0.091 18091
5199 1 14 . 1 1 30 30 VAL C C 548 179.010 179.010 177.638 1.372 18091
5200 1 14 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.917 -0.917 18091
5201 1 14 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.074 0.036 18091
5202 1 14 . 1 1 30 30 VAL H H 548 8.000 8.000 7.898 0.102 18091
5203 1 14 . 1 1 31 31 MET N N 549 118.270 118.270 117.127 1.143 18091
5204 1 14 . 1 1 31 31 MET HA H 549 4.340 4.340 3.991 0.349 18091
5205 1 14 . 1 1 31 31 MET C C 549 178.830 178.830 178.122 0.708 18091
5206 1 14 . 1 1 31 31 MET CA C 549 55.140 55.140 58.798 -3.658 18091
5207 1 14 . 1 1 31 31 MET CB C 549 28.840 28.840 32.050 -3.210 18091
5208 1 14 . 1 1 31 31 MET H H 549 7.250 7.250 7.864 -0.614 18091
5209 1 14 . 1 1 32 32 GLN N N 550 118.190 118.190 119.963 -1.773 18091
5210 1 14 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.934 -0.194 18091
5211 1 14 . 1 1 32 32 GLN C C 550 178.840 178.840 178.269 0.571 18091
5212 1 14 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.338 0.082 18091
5213 1 14 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.520 -0.860 18091
5214 1 14 . 1 1 32 32 GLN H H 550 8.310 8.310 8.399 -0.089 18091
5215 1 14 . 1 1 33 33 SER N N 551 114.010 114.010 115.463 -1.453 18091
5216 1 14 . 1 1 33 33 SER HA H 551 4.140 4.140 4.392 -0.252 18091
5217 1 14 . 1 1 33 33 SER C C 551 176.840 176.840 176.862 -0.022 18091
5218 1 14 . 1 1 33 33 SER CA C 551 61.330 61.330 62.314 -0.984 18091
5219 1 14 . 1 1 33 33 SER CB C 551 62.450 62.450 63.108 -0.658 18091
5220 1 14 . 1 1 33 33 SER H H 551 7.570 7.570 7.686 -0.116 18091
5221 1 14 . 1 1 34 34 ILE N N 552 123.490 123.490 122.193 1.297 18091
5222 1 14 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.493 -0.213 18091
5223 1 14 . 1 1 34 34 ILE C C 552 177.630 177.630 177.639 -0.009 18091
5224 1 14 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.993 0.687 18091
5225 1 14 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.353 0.367 18091
5226 1 14 . 1 1 34 34 ILE H H 552 7.600 7.600 7.469 0.131 18091
5227 1 14 . 1 1 35 35 LEU N N 553 119.520 119.520 119.460 0.060 18091
5228 1 14 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.798 -0.048 18091
5229 1 14 . 1 1 35 35 LEU C C 553 179.440 179.440 179.212 0.228 18091
5230 1 14 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.035 -0.085 18091
5231 1 14 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.253 -0.553 18091
5232 1 14 . 1 1 35 35 LEU H H 553 8.330 8.330 7.740 0.590 18091
5233 1 14 . 1 1 36 36 GLN N N 554 118.590 118.590 117.848 0.742 18091
5234 1 14 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.876 0.044 18091
5235 1 14 . 1 1 36 36 GLN C C 554 178.560 178.560 178.793 -0.233 18091
5236 1 14 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.196 -0.536 18091
5237 1 14 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.430 -0.371 18091
5238 1 14 . 1 1 36 36 GLN H H 554 7.800 7.800 7.818 -0.018 18091
5239 1 14 . 1 1 37 37 GLN N N 555 119.520 119.520 118.923 0.597 18091
5240 1 14 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.013 -0.083 18091
5241 1 14 . 1 1 37 37 GLN C C 555 178.400 178.400 178.497 -0.097 18091
5242 1 14 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.630 -0.100 18091
5243 1 14 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.575 0.215 18091
5244 1 14 . 1 1 37 37 GLN H H 555 7.990 7.990 8.074 -0.084 18091
5245 1 14 . 1 1 38 38 ALA N N 556 120.730 120.730 121.444 -0.714 18091
5246 1 14 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.351 -0.241 18091
5247 1 14 . 1 1 38 38 ALA C C 556 178.310 178.310 179.393 -1.083 18091
5248 1 14 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.697 -1.197 18091
5249 1 14 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.316 0.054 18091
5250 1 14 . 1 1 38 38 ALA H H 556 8.310 8.310 8.076 0.234 18091
5251 1 14 . 1 1 39 39 GLN N N 557 115.600 115.600 117.925 -2.325 18091
5252 1 14 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.045 -0.085 18091
5253 1 14 . 1 1 39 39 GLN C C 557 177.260 177.260 178.564 -1.304 18091
5254 1 14 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.385 -0.465 18091
5255 1 14 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.575 -0.095 18091
5256 1 14 . 1 1 39 39 GLN H H 557 7.530 7.530 7.756 -0.226 18091
5257 1 14 . 1 1 40 40 GLN N N 558 115.310 115.310 116.893 -1.583 18091
5258 1 14 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.149 0.031 18091
5259 1 14 . 1 1 40 40 GLN C C 558 176.030 176.030 176.507 -0.477 18091
5260 1 14 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.583 -1.033 18091
5261 1 14 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.814 -0.494 18091
5262 1 14 . 1 1 40 40 GLN H H 558 7.350 7.350 7.643 -0.293 18091
5263 1 14 . 1 1 41 41 ASN N N 559 114.850 114.850 115.033 -0.183 18091
5264 1 14 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.084 -0.134 18091
5265 1 14 . 1 1 41 41 ASN C C 559 172.420 172.420 173.250 -0.830 18091
5266 1 14 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.620 -1.190 18091
5267 1 14 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.175 -2.295 18091
5268 1 14 . 1 1 41 41 ASN H H 559 7.900 7.900 8.077 -0.177 18091
5269 1 14 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.580 -0.250 18091
5270 1 14 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.789 0.211 18091
5271 1 14 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.227 -0.547 18091
5272 1 14 . 1 1 43 43 ALA N N 561 119.920 119.920 120.795 -0.875 18091
5273 1 14 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.100 0.030 18091
5274 1 14 . 1 1 43 43 ALA C C 561 179.510 179.510 178.692 0.818 18091
5275 1 14 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.275 -0.225 18091
5276 1 14 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.225 -0.175 18091
5277 1 14 . 1 1 43 43 ALA H H 561 7.850 7.850 7.640 0.210 18091
5278 1 14 . 1 1 44 44 ALA N N 562 120.790 120.790 121.921 -1.131 18091
5279 1 14 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.111 -0.091 18091
5280 1 14 . 1 1 44 44 ALA C C 562 179.570 179.570 179.837 -0.267 18091
5281 1 14 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.395 -1.275 18091
5282 1 14 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.637 -0.437 18091
5283 1 14 . 1 1 44 44 ALA H H 562 7.980 7.980 7.750 0.230 18091
5284 1 14 . 1 1 45 45 LEU N N 563 116.420 116.420 117.151 -0.731 18091
5285 1 14 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.364 -0.384 18091
5286 1 14 . 1 1 45 45 LEU C C 563 178.220 178.220 178.602 -0.382 18091
5287 1 14 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.683 0.957 18091
5288 1 14 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.428 1.262 18091
5289 1 14 . 1 1 45 45 LEU H H 563 7.510 7.510 7.812 -0.302 18091
5290 1 14 . 1 1 46 46 GLN N N 564 115.510 115.510 120.695 -5.185 18091
5291 1 14 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.931 -0.071 18091
5292 1 14 . 1 1 46 46 GLN C C 564 178.300 178.300 178.093 0.207 18091
5293 1 14 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.326 -0.606 18091
5294 1 14 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.723 -0.702 18091
5295 1 14 . 1 1 46 46 GLN H H 564 7.510 7.510 8.041 -0.531 18091
5296 1 14 . 1 1 47 47 GLU N N 565 117.680 117.680 117.504 0.176 18091
5297 1 14 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.962 -0.062 18091
5298 1 14 . 1 1 47 47 GLU C C 565 179.070 179.070 179.194 -0.124 18091
5299 1 14 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.932 -0.552 18091
5300 1 14 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.020 -0.030 18091
5301 1 14 . 1 1 47 47 GLU H H 565 7.440 7.440 7.864 -0.424 18091
5302 1 14 . 1 1 48 48 HIS N N 566 118.220 118.220 119.559 -1.339 18091
5303 1 14 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.368 0.012 18091
5304 1 14 . 1 1 48 48 HIS C C 566 177.280 177.280 177.911 -0.631 18091
5305 1 14 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.173 -0.313 18091
5306 1 14 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.828 1.612 18091
5307 1 14 . 1 1 48 48 HIS H H 566 7.420 7.420 7.517 -0.097 18091
5308 1 14 . 1 1 49 49 MET N N 567 115.200 115.200 118.471 -3.271 18091
5309 1 14 . 1 1 49 49 MET HA H 567 3.840 3.840 4.325 -0.485 18091
5310 1 14 . 1 1 49 49 MET C C 567 175.260 175.260 177.225 -1.965 18091
5311 1 14 . 1 1 49 49 MET CA C 567 57.840 57.840 58.642 -0.802 18091
5312 1 14 . 1 1 49 49 MET CB C 567 33.080 33.080 32.803 0.277 18091
5313 1 14 . 1 1 49 49 MET H H 567 7.710 7.710 7.915 -0.205 18091
5314 1 14 . 1 1 50 50 LYS N N 568 116.040 116.040 115.885 0.155 18091
5315 1 14 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.073 -0.113 18091
5316 1 14 . 1 1 50 50 LYS C C 568 176.220 176.220 176.900 -0.680 18091
5317 1 14 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.351 0.039 18091
5318 1 14 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.305 -0.085 18091
5319 1 14 . 1 1 50 50 LYS H H 568 7.140 7.140 7.472 -0.332 18091
5320 1 14 . 1 1 51 51 ASN N N 569 119.600 119.600 118.206 1.394 18091
5321 1 14 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.859 0.161 18091
5322 1 14 . 1 1 51 51 ASN C C 569 173.920 173.920 175.230 -1.310 18091
5323 1 14 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.568 -1.617 18091
5324 1 14 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.965 -0.965 18091
5325 1 14 . 1 1 51 51 ASN H H 569 7.480 7.480 7.452 0.028 18091
5326 1 14 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.344 -0.084 18091
5327 1 14 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.664 -0.554 18091
5328 1 14 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.071 0.199 18091
5329 1 14 . 1 1 53 53 GLU N N 571 116.870 116.870 118.547 -1.677 18091
5330 1 14 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.145 -0.075 18091
5331 1 14 . 1 1 53 53 GLU C C 571 178.830 178.830 178.769 0.061 18091
5332 1 14 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.513 -0.633 18091
5333 1 14 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.502 -0.072 18091
5334 1 14 . 1 1 53 53 GLU H H 571 7.960 7.960 8.363 -0.403 18091
5335 1 14 . 1 1 54 54 VAL N N 572 118.290 118.290 119.087 -0.797 18091
5336 1 14 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.823 -0.163 18091
5337 1 14 . 1 1 54 54 VAL C C 572 177.620 177.620 177.753 -0.133 18091
5338 1 14 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.181 -0.081 18091
5339 1 14 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.473 0.737 18091
5340 1 14 . 1 1 54 54 VAL H H 572 7.330 7.330 7.814 -0.484 18091
5341 1 14 . 1 1 55 55 PHE N N 573 121.090 121.090 122.339 -1.249 18091
5342 1 14 . 1 1 55 55 PHE HA H 573 3.890 3.890 3.964 -0.074 18091
5343 1 14 . 1 1 55 55 PHE C C 573 176.760 176.760 176.980 -0.220 18091
5344 1 14 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.258 -0.028 18091
5345 1 14 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.946 -0.326 18091
5346 1 14 . 1 1 55 55 PHE H H 573 8.700 8.700 8.554 0.146 18091
5347 1 14 . 1 1 56 56 LYS N N 574 116.910 116.910 119.479 -2.569 18091
5348 1 14 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.791 -0.001 18091
5349 1 14 . 1 1 56 56 LYS C C 574 178.980 178.980 178.812 0.168 18091
5350 1 14 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.668 -0.188 18091
5351 1 14 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.450 -0.249 18091
5352 1 14 . 1 1 56 56 LYS H H 574 7.800 7.800 7.822 -0.022 18091
5353 1 14 . 1 1 57 57 LYS N N 575 119.120 119.120 119.133 -0.013 18091
5354 1 14 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.996 -0.086 18091
5355 1 14 . 1 1 57 57 LYS C C 575 178.520 178.520 179.162 -0.642 18091
5356 1 14 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.455 0.495 18091
5357 1 14 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.412 0.648 18091
5358 1 14 . 1 1 57 57 LYS H H 575 7.170 7.170 7.298 -0.128 18091
5359 1 14 . 1 1 58 58 ILE N N 576 119.180 119.180 119.159 0.021 18091
5360 1 14 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.739 -0.419 18091
5361 1 14 . 1 1 58 58 ILE C C 576 177.820 177.820 178.495 -0.675 18091
5362 1 14 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.927 0.603 18091
5363 1 14 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.979 -0.729 18091
5364 1 14 . 1 1 58 58 ILE H H 576 8.300 8.300 8.551 -0.251 18091
5365 1 14 . 1 1 59 59 GLN N N 577 118.000 118.000 118.136 -0.136 18091
5366 1 14 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.761 -0.091 18091
5367 1 14 . 1 1 59 59 GLN C C 577 179.250 179.250 178.414 0.836 18091
5368 1 14 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.202 -0.082 18091
5369 1 14 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.212 -0.372 18091
5370 1 14 . 1 1 59 59 GLN H H 577 8.180 8.180 7.700 0.480 18091
5371 1 14 . 1 1 60 60 THR N N 578 118.670 118.670 116.993 1.677 18091
5372 1 14 . 1 1 60 60 THR HA H 578 3.760 3.760 3.892 -0.132 18091
5373 1 14 . 1 1 60 60 THR C C 578 176.060 176.060 176.463 -0.403 18091
5374 1 14 . 1 1 60 60 THR CA C 578 66.890 66.890 67.172 -0.282 18091
5375 1 14 . 1 1 60 60 THR CB C 578 68.030 68.030 68.593 -0.563 18091
5376 1 14 . 1 1 60 60 THR H H 578 7.780 7.780 7.543 0.237 18091
5377 1 14 . 1 1 61 61 LEU N N 579 120.680 120.680 120.664 0.016 18091
5378 1 14 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.966 -0.116 18091
5379 1 14 . 1 1 61 61 LEU C C 579 179.590 179.590 178.686 0.904 18091
5380 1 14 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.603 0.047 18091
5381 1 14 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.380 -0.400 18091
5382 1 14 . 1 1 61 61 LEU H H 579 7.620 7.620 7.341 0.279 18091
5383 1 14 . 1 1 62 62 ILE N N 580 122.880 122.880 120.567 2.313 18091
5384 1 14 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.693 0.337 18091
5385 1 14 . 1 1 62 62 ILE C C 580 180.260 180.260 179.116 1.144 18091
5386 1 14 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.955 -0.225 18091
5387 1 14 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.665 0.645 18091
5388 1 14 . 1 1 62 62 ILE H H 580 8.540 8.540 7.416 1.124 18091
5389 1 14 . 1 1 63 63 ALA N N 581 124.510 124.510 122.838 1.672 18091
5390 1 14 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.030 -0.060 18091
5391 1 14 . 1 1 63 63 ALA C C 581 179.000 179.000 178.804 0.196 18091
5392 1 14 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.751 0.089 18091
5393 1 14 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.323 -0.823 18091
5394 1 14 . 1 1 63 63 ALA H H 581 8.120 8.120 8.065 0.055 18091
5395 1 14 . 1 1 64 64 ALA N N 582 116.250 116.250 118.532 -2.282 18091
5396 1 14 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.216 -0.076 18091
5397 1 14 . 1 1 64 64 ALA C C 582 177.040 177.040 177.734 -0.694 18091
5398 1 14 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.934 0.246 18091
5399 1 14 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.927 0.933 18091
5400 1 14 . 1 1 64 64 ALA H H 582 7.470 7.470 7.485 -0.015 18091
5401 1 14 . 1 1 65 65 GLY N N 583 104.540 104.540 106.114 -1.574 18091
5402 1 14 . 1 1 65 65 GLY C C 583 174.180 174.180 174.878 -0.698 18091
5403 1 14 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.829 -1.039 18091
5404 1 14 . 1 1 65 65 GLY H H 583 7.600 7.600 7.610 -0.010 18091
5405 1 14 . 1 1 66 66 ILE N N 584 118.630 118.630 116.935 1.695 18091
5406 1 14 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.808 -0.048 18091
5407 1 14 . 1 1 66 66 ILE C C 584 175.660 175.660 175.503 0.157 18091
5408 1 14 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.238 -0.688 18091
5409 1 14 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.338 -0.728 18091
5410 1 14 . 1 1 66 66 ILE H H 584 7.590 7.590 7.655 -0.065 18091
5411 1 14 . 1 1 67 67 ILE N N 585 116.360 116.360 119.554 -3.194 18091
5412 1 14 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.320 -0.150 18091
5413 1 14 . 1 1 67 67 ILE C C 585 174.370 174.370 174.764 -0.394 18091
5414 1 14 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.182 -0.702 18091
5415 1 14 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.419 -0.789 18091
5416 1 14 . 1 1 67 67 ILE H H 585 6.490 6.490 7.314 -0.824 18091
5417 1 14 . 1 1 68 68 ARG N N 586 125.450 125.450 126.315 -0.865 18091
5418 1 14 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.685 -0.305 18091
5419 1 14 . 1 1 68 68 ARG C C 586 175.720 175.720 176.202 -0.482 18091
5420 1 14 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.494 -0.574 18091
5421 1 14 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.235 0.085 18091
5422 1 14 . 1 1 68 68 ARG H H 586 8.500 8.500 8.588 -0.088 18091
5423 1 14 . 1 1 69 69 THR N N 587 113.710 113.710 115.269 -1.559 18091
5424 1 14 . 1 1 69 69 THR HA H 587 4.300 4.300 4.463 -0.163 18091
5425 1 14 . 1 1 69 69 THR C C 587 174.760 174.760 175.047 -0.287 18091
5426 1 14 . 1 1 69 69 THR CA C 587 61.300 61.300 61.970 -0.670 18091
5427 1 14 . 1 1 69 69 THR CB C 587 69.720 69.720 69.498 0.222 18091
5428 1 14 . 1 1 69 69 THR H H 587 8.250 8.250 8.231 0.019 18091
5429 1 14 . 1 1 70 70 GLY N N 588 110.720 110.720 111.741 -1.021 18091
5430 1 14 . 1 1 70 70 GLY C C 588 172.820 172.820 173.805 -0.985 18091
5431 1 14 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.539 -0.380 18091
5432 1 14 . 1 1 70 70 GLY H H 588 8.230 8.230 8.552 -0.322 18091
5433 1 15 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.376 -0.146 18091
5434 1 15 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.128 0.122 18091
5435 1 15 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.140 -0.180 18091
5436 1 15 . 1 1 3 3 GLY N N 521 109.400 109.400 108.013 1.387 18091
5437 1 15 . 1 1 3 3 GLY C C 521 174.300 174.300 173.481 0.819 18091
5438 1 15 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.310 0.870 18091
5439 1 15 . 1 1 3 3 GLY H H 521 8.490 8.490 7.960 0.530 18091
5440 1 15 . 1 1 4 4 THR N N 522 112.480 112.480 110.976 1.504 18091
5441 1 15 . 1 1 4 4 THR HA H 522 4.300 4.300 4.455 -0.155 18091
5442 1 15 . 1 1 4 4 THR C C 522 174.690 174.690 173.877 0.813 18091
5443 1 15 . 1 1 4 4 THR CA C 522 61.240 61.240 61.859 -0.619 18091
5444 1 15 . 1 1 4 4 THR CB C 522 69.960 69.960 69.558 0.402 18091
5445 1 15 . 1 1 4 4 THR H H 522 7.860 7.860 8.258 -0.398 18091
5446 1 15 . 1 1 5 5 SER N N 523 117.450 117.450 116.520 0.930 18091
5447 1 15 . 1 1 5 5 SER HA H 523 3.890 3.890 4.570 -0.680 18091
5448 1 15 . 1 1 5 5 SER C C 523 173.320 173.320 175.092 -1.772 18091
5449 1 15 . 1 1 5 5 SER CA C 523 58.460 58.460 57.710 0.750 18091
5450 1 15 . 1 1 5 5 SER CB C 523 63.690 63.690 64.345 -0.655 18091
5451 1 15 . 1 1 5 5 SER H H 523 8.300 8.300 7.765 0.535 18091
5452 1 15 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.553 -0.203 18091
5453 1 15 . 1 1 6 6 ASN C C 524 174.670 174.670 175.224 -0.554 18091
5454 1 15 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.369 -1.309 18091
5455 1 15 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.491 0.219 18091
5456 1 15 . 1 1 7 7 GLU N N 525 120.970 120.970 120.741 0.229 18091
5457 1 15 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.227 0.113 18091
5458 1 15 . 1 1 7 7 GLU C C 525 176.900 176.900 175.775 1.125 18091
5459 1 15 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.086 -1.046 18091
5460 1 15 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.385 1.685 18091
5461 1 15 . 1 1 7 7 GLU H H 525 7.970 7.970 8.436 -0.466 18091
5462 1 15 . 1 1 8 8 THR N N 526 116.960 116.960 118.043 -1.083 18091
5463 1 15 . 1 1 8 8 THR HA H 526 4.540 4.540 4.818 -0.278 18091
5464 1 15 . 1 1 8 8 THR C C 526 173.410 173.410 173.329 0.081 18091
5465 1 15 . 1 1 8 8 THR CA C 526 60.080 60.080 59.497 0.583 18091
5466 1 15 . 1 1 8 8 THR CB C 526 68.500 68.500 68.780 -0.280 18091
5467 1 15 . 1 1 8 8 THR H H 526 8.630 8.630 8.328 0.302 18091
5468 1 15 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.364 -0.174 18091
5469 1 15 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.862 0.248 18091
5470 1 15 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.026 -0.446 18091
5471 1 15 . 1 1 10 10 GLU N N 528 118.610 118.610 117.105 1.505 18091
5472 1 15 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.945 0.035 18091
5473 1 15 . 1 1 10 10 GLU C C 528 178.550 178.550 178.863 -0.313 18091
5474 1 15 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.656 -0.076 18091
5475 1 15 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.056 -0.066 18091
5476 1 15 . 1 1 10 10 GLU H H 528 8.550 8.550 8.904 -0.354 18091
5477 1 15 . 1 1 11 11 GLU N N 529 121.090 121.090 120.172 0.918 18091
5478 1 15 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.283 -0.353 18091
5479 1 15 . 1 1 11 11 GLU C C 529 179.470 179.470 178.794 0.676 18091
5480 1 15 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.168 -0.218 18091
5481 1 15 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.693 -0.213 18091
5482 1 15 . 1 1 11 11 GLU H H 529 7.870 7.870 7.850 0.020 18091
5483 1 15 . 1 1 12 12 THR N N 530 118.050 118.050 117.242 0.808 18091
5484 1 15 . 1 1 12 12 THR HA H 530 3.750 3.750 4.007 -0.257 18091
5485 1 15 . 1 1 12 12 THR C C 530 175.770 175.770 176.665 -0.895 18091
5486 1 15 . 1 1 12 12 THR CA C 530 66.320 66.320 67.382 -1.062 18091
5487 1 15 . 1 1 12 12 THR CB C 530 68.430 68.430 68.955 -0.525 18091
5488 1 15 . 1 1 12 12 THR H H 530 8.390 8.390 7.538 0.852 18091
5489 1 15 . 1 1 13 13 TYR N N 531 122.280 122.280 120.719 1.561 18091
5490 1 15 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.106 -0.286 18091
5491 1 15 . 1 1 13 13 TYR C C 531 176.420 176.420 178.187 -1.767 18091
5492 1 15 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.491 -0.051 18091
5493 1 15 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.753 0.357 18091
5494 1 15 . 1 1 13 13 TYR H H 531 8.050 8.050 8.035 0.015 18091
5495 1 15 . 1 1 14 14 GLN N N 532 116.250 116.250 118.128 -1.878 18091
5496 1 15 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.958 -0.268 18091
5497 1 15 . 1 1 14 14 GLN C C 532 178.800 178.800 178.650 0.150 18091
5498 1 15 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.132 -0.512 18091
5499 1 15 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.503 -0.443 18091
5500 1 15 . 1 1 14 14 GLN H H 532 8.010 8.010 7.882 0.128 18091
5501 1 15 . 1 1 15 15 ARG N N 533 118.730 118.730 118.701 0.029 18091
5502 1 15 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.061 -0.141 18091
5503 1 15 . 1 1 15 15 ARG C C 533 179.030 179.030 178.911 0.119 18091
5504 1 15 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.518 0.622 18091
5505 1 15 . 1 1 15 15 ARG CB C 533 29.800 29.800 29.622 0.178 18091
5506 1 15 . 1 1 15 15 ARG H H 533 7.800 7.800 7.917 -0.117 18091
5507 1 15 . 1 1 16 16 ALA N N 534 123.500 123.500 122.421 1.079 18091
5508 1 15 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.001 -0.041 18091
5509 1 15 . 1 1 16 16 ALA C C 534 178.860 178.860 179.770 -0.910 18091
5510 1 15 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.805 -0.135 18091
5511 1 15 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.240 0.490 18091
5512 1 15 . 1 1 16 16 ALA H H 534 8.210 8.210 7.922 0.288 18091
5513 1 15 . 1 1 17 17 MET N N 535 111.910 111.910 115.168 -3.258 18091
5514 1 15 . 1 1 17 17 MET HA H 535 4.020 4.020 4.185 -0.165 18091
5515 1 15 . 1 1 17 17 MET C C 535 176.890 176.890 177.422 -0.532 18091
5516 1 15 . 1 1 17 17 MET CA C 535 55.200 55.200 57.228 -2.028 18091
5517 1 15 . 1 1 17 17 MET CB C 535 31.110 31.110 31.782 -0.672 18091
5518 1 15 . 1 1 17 17 MET H H 535 7.480 7.480 7.984 -0.504 18091
5519 1 15 . 1 1 18 18 LYS N N 536 116.840 116.840 116.857 -0.017 18091
5520 1 15 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.158 -0.168 18091
5521 1 15 . 1 1 18 18 LYS C C 536 176.690 176.690 176.646 0.044 18091
5522 1 15 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.078 -0.488 18091
5523 1 15 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.507 -0.167 18091
5524 1 15 . 1 1 18 18 LYS H H 536 7.180 7.180 7.253 -0.073 18091
5525 1 15 . 1 1 19 19 ASP N N 537 122.680 122.680 121.272 1.408 18091
5526 1 15 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.894 -0.094 18091
5527 1 15 . 1 1 19 19 ASP C C 537 174.720 174.720 175.565 -0.845 18091
5528 1 15 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.112 -0.022 18091
5529 1 15 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.861 0.109 18091
5530 1 15 . 1 1 19 19 ASP H H 537 7.530 7.530 7.679 -0.149 18091
5531 1 15 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.236 -0.096 18091
5532 1 15 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.910 -0.160 18091
5533 1 15 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.106 0.014 18091
5534 1 15 . 1 1 21 21 GLU N N 539 118.590 118.590 117.659 0.931 18091
5535 1 15 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.045 -0.035 18091
5536 1 15 . 1 1 21 21 GLU C C 539 179.010 179.010 178.918 0.092 18091
5537 1 15 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.056 -0.206 18091
5538 1 15 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.253 0.087 18091
5539 1 15 . 1 1 21 21 GLU H H 539 8.200 8.200 7.882 0.318 18091
5540 1 15 . 1 1 22 22 VAL N N 540 120.690 120.690 120.446 0.244 18091
5541 1 15 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.556 -0.326 18091
5542 1 15 . 1 1 22 22 VAL C C 540 177.740 177.740 177.516 0.224 18091
5543 1 15 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.955 -0.865 18091
5544 1 15 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.543 -0.193 18091
5545 1 15 . 1 1 22 22 VAL H H 540 7.350 7.350 7.538 -0.188 18091
5546 1 15 . 1 1 23 23 ALA N N 541 121.460 121.460 122.347 -0.887 18091
5547 1 15 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.980 -0.210 18091
5548 1 15 . 1 1 23 23 ALA C C 541 179.660 179.660 179.220 0.440 18091
5549 1 15 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.026 0.364 18091
5550 1 15 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.229 -0.519 18091
5551 1 15 . 1 1 23 23 ALA H H 541 8.430 8.430 7.533 0.897 18091
5552 1 15 . 1 1 24 24 ALA N N 542 117.000 117.000 121.011 -4.011 18091
5553 1 15 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.111 -0.171 18091
5554 1 15 . 1 1 24 24 ALA C C 542 180.880 180.880 179.165 1.715 18091
5555 1 15 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.546 0.154 18091
5556 1 15 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.360 -0.410 18091
5557 1 15 . 1 1 24 24 ALA H H 542 7.380 7.380 7.596 -0.216 18091
5558 1 15 . 1 1 25 25 ILE N N 543 119.750 119.750 118.429 1.321 18091
5559 1 15 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.765 -0.075 18091
5560 1 15 . 1 1 25 25 ILE C C 543 177.450 177.450 178.517 -1.067 18091
5561 1 15 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.482 0.478 18091
5562 1 15 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.187 0.093 18091
5563 1 15 . 1 1 25 25 ILE H H 543 7.380 7.380 7.378 0.002 18091
5564 1 15 . 1 1 26 26 MET N N 544 113.830 113.830 117.674 -3.844 18091
5565 1 15 . 1 1 26 26 MET HA H 544 4.140 4.140 4.094 0.046 18091
5566 1 15 . 1 1 26 26 MET C C 544 177.680 177.680 177.830 -0.150 18091
5567 1 15 . 1 1 26 26 MET CA C 544 55.660 55.660 58.658 -2.998 18091
5568 1 15 . 1 1 26 26 MET CB C 544 30.690 30.690 32.692 -2.002 18091
5569 1 15 . 1 1 26 26 MET H H 544 7.870 7.870 7.741 0.129 18091
5570 1 15 . 1 1 27 27 GLN N N 545 115.210 115.210 115.629 -0.419 18091
5571 1 15 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.306 -0.226 18091
5572 1 15 . 1 1 27 27 GLN C C 545 175.170 175.170 175.567 -0.397 18091
5573 1 15 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.013 -0.573 18091
5574 1 15 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.331 -0.341 18091
5575 1 15 . 1 1 27 27 GLN H H 545 7.340 7.340 7.427 -0.087 18091
5576 1 15 . 1 1 28 28 ASP N N 546 123.270 123.270 119.558 3.712 18091
5577 1 15 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.001 -0.281 18091
5578 1 15 . 1 1 28 28 ASP C C 546 175.220 175.220 175.142 0.078 18091
5579 1 15 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.590 0.750 18091
5580 1 15 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.614 -0.234 18091
5581 1 15 . 1 1 28 28 ASP H H 546 7.320 7.320 7.737 -0.417 18091
5582 1 15 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.571 -0.451 18091
5583 1 15 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.866 1.054 18091
5584 1 15 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.676 -0.416 18091
5585 1 15 . 1 1 30 30 VAL N N 548 119.870 119.870 119.436 0.434 18091
5586 1 15 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.677 -0.097 18091
5587 1 15 . 1 1 30 30 VAL C C 548 179.010 179.010 177.620 1.390 18091
5588 1 15 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.887 -0.887 18091
5589 1 15 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.053 0.057 18091
5590 1 15 . 1 1 30 30 VAL H H 548 8.000 8.000 7.884 0.116 18091
5591 1 15 . 1 1 31 31 MET N N 549 118.270 118.270 117.400 0.870 18091
5592 1 15 . 1 1 31 31 MET HA H 549 4.340 4.340 3.965 0.375 18091
5593 1 15 . 1 1 31 31 MET C C 549 178.830 178.830 178.326 0.504 18091
5594 1 15 . 1 1 31 31 MET CA C 549 55.140 55.140 58.937 -3.797 18091
5595 1 15 . 1 1 31 31 MET CB C 549 28.840 28.840 32.186 -3.346 18091
5596 1 15 . 1 1 31 31 MET H H 549 7.250 7.250 7.815 -0.565 18091
5597 1 15 . 1 1 32 32 GLN N N 550 118.190 118.190 119.108 -0.918 18091
5598 1 15 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.932 -0.192 18091
5599 1 15 . 1 1 32 32 GLN C C 550 178.840 178.840 178.545 0.295 18091
5600 1 15 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.051 0.369 18091
5601 1 15 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.361 -0.701 18091
5602 1 15 . 1 1 32 32 GLN H H 550 8.310 8.310 8.439 -0.129 18091
5603 1 15 . 1 1 33 33 SER N N 551 114.010 114.010 115.958 -1.948 18091
5604 1 15 . 1 1 33 33 SER HA H 551 4.140 4.140 4.144 -0.004 18091
5605 1 15 . 1 1 33 33 SER C C 551 176.840 176.840 176.691 0.149 18091
5606 1 15 . 1 1 33 33 SER CA C 551 61.330 61.330 61.788 -0.458 18091
5607 1 15 . 1 1 33 33 SER CB C 551 62.450 62.450 63.078 -0.628 18091
5608 1 15 . 1 1 33 33 SER H H 551 7.570 7.570 7.639 -0.069 18091
5609 1 15 . 1 1 34 34 ILE N N 552 123.490 123.490 122.805 0.685 18091
5610 1 15 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.742 -0.462 18091
5611 1 15 . 1 1 34 34 ILE C C 552 177.630 177.630 178.131 -0.501 18091
5612 1 15 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.013 0.668 18091
5613 1 15 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.487 0.233 18091
5614 1 15 . 1 1 34 34 ILE H H 552 7.600 7.600 7.615 -0.015 18091
5615 1 15 . 1 1 35 35 LEU N N 553 119.520 119.520 119.384 0.136 18091
5616 1 15 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.796 -0.046 18091
5617 1 15 . 1 1 35 35 LEU C C 553 179.440 179.440 179.005 0.435 18091
5618 1 15 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.016 -0.066 18091
5619 1 15 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.215 -0.514 18091
5620 1 15 . 1 1 35 35 LEU H H 553 8.330 8.330 7.761 0.569 18091
5621 1 15 . 1 1 36 36 GLN N N 554 118.590 118.590 118.642 -0.052 18091
5622 1 15 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.855 0.065 18091
5623 1 15 . 1 1 36 36 GLN C C 554 178.560 178.560 178.550 0.010 18091
5624 1 15 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.227 -0.567 18091
5625 1 15 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.529 -0.469 18091
5626 1 15 . 1 1 36 36 GLN H H 554 7.800 7.800 7.756 0.044 18091
5627 1 15 . 1 1 37 37 GLN N N 555 119.520 119.520 118.693 0.827 18091
5628 1 15 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.009 -0.079 18091
5629 1 15 . 1 1 37 37 GLN C C 555 178.400 178.400 178.481 -0.081 18091
5630 1 15 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.543 -0.013 18091
5631 1 15 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.590 0.200 18091
5632 1 15 . 1 1 37 37 GLN H H 555 7.990 7.990 8.063 -0.073 18091
5633 1 15 . 1 1 38 38 ALA N N 556 120.730 120.730 121.199 -0.469 18091
5634 1 15 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.381 -0.271 18091
5635 1 15 . 1 1 38 38 ALA C C 556 178.310 178.310 179.571 -1.261 18091
5636 1 15 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.569 -1.069 18091
5637 1 15 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.346 0.024 18091
5638 1 15 . 1 1 38 38 ALA H H 556 8.310 8.310 8.085 0.225 18091
5639 1 15 . 1 1 39 39 GLN N N 557 115.600 115.600 117.756 -2.156 18091
5640 1 15 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.073 -0.113 18091
5641 1 15 . 1 1 39 39 GLN C C 557 177.260 177.260 178.532 -1.272 18091
5642 1 15 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.166 -0.247 18091
5643 1 15 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.486 -0.006 18091
5644 1 15 . 1 1 39 39 GLN H H 557 7.530 7.530 7.749 -0.219 18091
5645 1 15 . 1 1 40 40 GLN N N 558 115.310 115.310 117.336 -2.026 18091
5646 1 15 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.144 0.036 18091
5647 1 15 . 1 1 40 40 GLN C C 558 176.030 176.030 176.489 -0.459 18091
5648 1 15 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.578 -1.028 18091
5649 1 15 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.821 -0.501 18091
5650 1 15 . 1 1 40 40 GLN H H 558 7.350 7.350 7.606 -0.256 18091
5651 1 15 . 1 1 41 41 ASN N N 559 114.850 114.850 114.853 -0.003 18091
5652 1 15 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.057 -0.107 18091
5653 1 15 . 1 1 41 41 ASN C C 559 172.420 172.420 173.225 -0.805 18091
5654 1 15 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.704 -1.274 18091
5655 1 15 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.221 -2.341 18091
5656 1 15 . 1 1 41 41 ASN H H 559 7.900 7.900 8.102 -0.202 18091
5657 1 15 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.599 -0.269 18091
5658 1 15 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.728 0.272 18091
5659 1 15 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.334 -0.654 18091
5660 1 15 . 1 1 43 43 ALA N N 561 119.920 119.920 120.683 -0.763 18091
5661 1 15 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.163 -0.033 18091
5662 1 15 . 1 1 43 43 ALA C C 561 179.510 179.510 178.589 0.921 18091
5663 1 15 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.121 -0.071 18091
5664 1 15 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.356 -0.306 18091
5665 1 15 . 1 1 43 43 ALA H H 561 7.850 7.850 7.654 0.196 18091
5666 1 15 . 1 1 44 44 ALA N N 562 120.790 120.790 121.796 -1.006 18091
5667 1 15 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.358 -0.338 18091
5668 1 15 . 1 1 44 44 ALA C C 562 179.570 179.570 179.888 -0.318 18091
5669 1 15 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.926 -0.806 18091
5670 1 15 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.633 -0.433 18091
5671 1 15 . 1 1 44 44 ALA H H 562 7.980 7.980 7.660 0.320 18091
5672 1 15 . 1 1 45 45 LEU N N 563 116.420 116.420 117.431 -1.011 18091
5673 1 15 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.368 -0.388 18091
5674 1 15 . 1 1 45 45 LEU C C 563 178.220 178.220 178.608 -0.388 18091
5675 1 15 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.697 0.943 18091
5676 1 15 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.431 1.260 18091
5677 1 15 . 1 1 45 45 LEU H H 563 7.510 7.510 7.795 -0.285 18091
5678 1 15 . 1 1 46 46 GLN N N 564 115.510 115.510 120.744 -5.234 18091
5679 1 15 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.929 -0.069 18091
5680 1 15 . 1 1 46 46 GLN C C 564 178.300 178.300 178.053 0.247 18091
5681 1 15 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.399 -0.679 18091
5682 1 15 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.718 -0.698 18091
5683 1 15 . 1 1 46 46 GLN H H 564 7.510 7.510 8.001 -0.491 18091
5684 1 15 . 1 1 47 47 GLU N N 565 117.680 117.680 117.631 0.049 18091
5685 1 15 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.954 -0.054 18091
5686 1 15 . 1 1 47 47 GLU C C 565 179.070 179.070 179.184 -0.114 18091
5687 1 15 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.956 -0.576 18091
5688 1 15 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.017 -0.027 18091
5689 1 15 . 1 1 47 47 GLU H H 565 7.440 7.440 7.816 -0.376 18091
5690 1 15 . 1 1 48 48 HIS N N 566 118.220 118.220 119.578 -1.358 18091
5691 1 15 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.327 0.053 18091
5692 1 15 . 1 1 48 48 HIS C C 566 177.280 177.280 177.004 0.276 18091
5693 1 15 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.206 -0.346 18091
5694 1 15 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.826 1.614 18091
5695 1 15 . 1 1 48 48 HIS H H 566 7.420 7.420 7.406 0.014 18091
5696 1 15 . 1 1 49 49 MET N N 567 115.200 115.200 117.275 -2.075 18091
5697 1 15 . 1 1 49 49 MET HA H 567 3.840 3.840 4.310 -0.470 18091
5698 1 15 . 1 1 49 49 MET C C 567 175.260 175.260 177.687 -2.427 18091
5699 1 15 . 1 1 49 49 MET CA C 567 57.840 57.840 58.473 -0.633 18091
5700 1 15 . 1 1 49 49 MET CB C 567 33.080 33.080 32.841 0.239 18091
5701 1 15 . 1 1 49 49 MET H H 567 7.710 7.710 7.912 -0.202 18091
5702 1 15 . 1 1 50 50 LYS N N 568 116.040 116.040 116.239 -0.199 18091
5703 1 15 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.073 -0.113 18091
5704 1 15 . 1 1 50 50 LYS C C 568 176.220 176.220 176.830 -0.610 18091
5705 1 15 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.429 -0.039 18091
5706 1 15 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.383 -0.163 18091
5707 1 15 . 1 1 50 50 LYS H H 568 7.140 7.140 7.575 -0.435 18091
5708 1 15 . 1 1 51 51 ASN N N 569 119.600 119.600 118.298 1.302 18091
5709 1 15 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.816 0.204 18091
5710 1 15 . 1 1 51 51 ASN C C 569 173.920 173.920 175.333 -1.413 18091
5711 1 15 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.629 -1.679 18091
5712 1 15 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.846 -0.846 18091
5713 1 15 . 1 1 51 51 ASN H H 569 7.480 7.480 7.436 0.044 18091
5714 1 15 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.323 -0.063 18091
5715 1 15 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.836 -0.726 18091
5716 1 15 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.030 0.240 18091
5717 1 15 . 1 1 53 53 GLU N N 571 116.870 116.870 118.430 -1.560 18091
5718 1 15 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.153 -0.083 18091
5719 1 15 . 1 1 53 53 GLU C C 571 178.830 178.830 178.693 0.137 18091
5720 1 15 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.597 -0.717 18091
5721 1 15 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.467 -0.037 18091
5722 1 15 . 1 1 53 53 GLU H H 571 7.960 7.960 8.572 -0.612 18091
5723 1 15 . 1 1 54 54 VAL N N 572 118.290 118.290 119.051 -0.761 18091
5724 1 15 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.830 -0.170 18091
5725 1 15 . 1 1 54 54 VAL C C 572 177.620 177.620 177.810 -0.190 18091
5726 1 15 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.167 -0.067 18091
5727 1 15 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.468 0.742 18091
5728 1 15 . 1 1 54 54 VAL H H 572 7.330 7.330 7.790 -0.460 18091
5729 1 15 . 1 1 55 55 PHE N N 573 121.090 121.090 122.122 -1.032 18091
5730 1 15 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.027 -0.137 18091
5731 1 15 . 1 1 55 55 PHE C C 573 176.760 176.760 176.949 -0.189 18091
5732 1 15 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.268 -0.038 18091
5733 1 15 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.911 -0.291 18091
5734 1 15 . 1 1 55 55 PHE H H 573 8.700 8.700 8.705 -0.005 18091
5735 1 15 . 1 1 56 56 LYS N N 574 116.910 116.910 118.564 -1.654 18091
5736 1 15 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.782 0.008 18091
5737 1 15 . 1 1 56 56 LYS C C 574 178.980 178.980 179.002 -0.022 18091
5738 1 15 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.633 -0.153 18091
5739 1 15 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.266 -0.066 18091
5740 1 15 . 1 1 56 56 LYS H H 574 7.800 7.800 7.814 -0.014 18091
5741 1 15 . 1 1 57 57 LYS N N 575 119.120 119.120 119.490 -0.370 18091
5742 1 15 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.994 -0.084 18091
5743 1 15 . 1 1 57 57 LYS C C 575 178.520 178.520 179.090 -0.570 18091
5744 1 15 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.469 0.481 18091
5745 1 15 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.399 0.661 18091
5746 1 15 . 1 1 57 57 LYS H H 575 7.170 7.170 7.251 -0.081 18091
5747 1 15 . 1 1 58 58 ILE N N 576 119.180 119.180 119.316 -0.136 18091
5748 1 15 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.737 -0.417 18091
5749 1 15 . 1 1 58 58 ILE C C 576 177.820 177.820 178.508 -0.688 18091
5750 1 15 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.320 0.210 18091
5751 1 15 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.069 -0.819 18091
5752 1 15 . 1 1 58 58 ILE H H 576 8.300 8.300 8.514 -0.214 18091
5753 1 15 . 1 1 59 59 GLN N N 577 118.000 118.000 118.178 -0.178 18091
5754 1 15 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.779 -0.108 18091
5755 1 15 . 1 1 59 59 GLN C C 577 179.250 179.250 178.456 0.794 18091
5756 1 15 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.242 -0.122 18091
5757 1 15 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.276 -0.435 18091
5758 1 15 . 1 1 59 59 GLN H H 577 8.180 8.180 7.725 0.455 18091
5759 1 15 . 1 1 60 60 THR N N 578 118.670 118.670 117.251 1.419 18091
5760 1 15 . 1 1 60 60 THR HA H 578 3.760 3.760 3.853 -0.093 18091
5761 1 15 . 1 1 60 60 THR C C 578 176.060 176.060 176.406 -0.346 18091
5762 1 15 . 1 1 60 60 THR CA C 578 66.890 66.890 67.391 -0.501 18091
5763 1 15 . 1 1 60 60 THR CB C 578 68.030 68.030 68.640 -0.610 18091
5764 1 15 . 1 1 60 60 THR H H 578 7.780 7.780 7.680 0.100 18091
5765 1 15 . 1 1 61 61 LEU N N 579 120.680 120.680 120.703 -0.023 18091
5766 1 15 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.939 -0.089 18091
5767 1 15 . 1 1 61 61 LEU C C 579 179.590 179.590 178.659 0.931 18091
5768 1 15 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.674 -0.024 18091
5769 1 15 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.351 -0.371 18091
5770 1 15 . 1 1 61 61 LEU H H 579 7.620 7.620 7.369 0.251 18091
5771 1 15 . 1 1 62 62 ILE N N 580 122.880 122.880 120.471 2.409 18091
5772 1 15 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.707 0.323 18091
5773 1 15 . 1 1 62 62 ILE C C 580 180.260 180.260 179.077 1.183 18091
5774 1 15 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.962 -0.232 18091
5775 1 15 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.682 0.628 18091
5776 1 15 . 1 1 62 62 ILE H H 580 8.540 8.540 7.512 1.028 18091
5777 1 15 . 1 1 63 63 ALA N N 581 124.510 124.510 122.851 1.659 18091
5778 1 15 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.030 -0.060 18091
5779 1 15 . 1 1 63 63 ALA C C 581 179.000 179.000 178.799 0.201 18091
5780 1 15 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091
5781 1 15 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.322 -0.822 18091
5782 1 15 . 1 1 63 63 ALA H H 581 8.120 8.120 8.084 0.036 18091
5783 1 15 . 1 1 64 64 ALA N N 582 116.250 116.250 118.496 -2.246 18091
5784 1 15 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.230 -0.090 18091
5785 1 15 . 1 1 64 64 ALA C C 582 177.040 177.040 177.695 -0.655 18091
5786 1 15 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.821 0.359 18091
5787 1 15 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.913 0.947 18091
5788 1 15 . 1 1 64 64 ALA H H 582 7.470 7.470 7.522 -0.052 18091
5789 1 15 . 1 1 65 65 GLY N N 583 104.540 104.540 106.347 -1.807 18091
5790 1 15 . 1 1 65 65 GLY C C 583 174.180 174.180 175.060 -0.880 18091
5791 1 15 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.845 -1.055 18091
5792 1 15 . 1 1 65 65 GLY H H 583 7.600 7.600 7.639 -0.039 18091
5793 1 15 . 1 1 66 66 ILE N N 584 118.630 118.630 117.315 1.315 18091
5794 1 15 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.837 -0.077 18091
5795 1 15 . 1 1 66 66 ILE C C 584 175.660 175.660 175.128 0.532 18091
5796 1 15 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.369 -0.819 18091
5797 1 15 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.415 -0.805 18091
5798 1 15 . 1 1 66 66 ILE H H 584 7.590 7.590 7.680 -0.090 18091
5799 1 15 . 1 1 67 67 ILE N N 585 116.360 116.360 118.153 -1.793 18091
5800 1 15 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.398 -0.228 18091
5801 1 15 . 1 1 67 67 ILE C C 585 174.370 174.370 174.677 -0.307 18091
5802 1 15 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.041 -0.561 18091
5803 1 15 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.925 -1.295 18091
5804 1 15 . 1 1 67 67 ILE H H 585 6.490 6.490 7.214 -0.724 18091
5805 1 15 . 1 1 68 68 ARG N N 586 125.450 125.450 125.530 -0.080 18091
5806 1 15 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.573 -0.193 18091
5807 1 15 . 1 1 68 68 ARG C C 586 175.720 175.720 176.261 -0.541 18091
5808 1 15 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.371 -1.451 18091
5809 1 15 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.722 0.598 18091
5810 1 15 . 1 1 68 68 ARG H H 586 8.500 8.500 8.668 -0.168 18091
5811 1 15 . 1 1 69 69 THR N N 587 113.710 113.710 114.592 -0.882 18091
5812 1 15 . 1 1 69 69 THR HA H 587 4.300 4.300 4.343 -0.043 18091
5813 1 15 . 1 1 69 69 THR C C 587 174.760 174.760 174.646 0.114 18091
5814 1 15 . 1 1 69 69 THR CA C 587 61.300 61.300 61.832 -0.532 18091
5815 1 15 . 1 1 69 69 THR CB C 587 69.720 69.720 69.479 0.241 18091
5816 1 15 . 1 1 69 69 THR H H 587 8.250 8.250 8.645 -0.395 18091
5817 1 15 . 1 1 70 70 GLY N N 588 110.720 110.720 109.661 1.059 18091
5818 1 15 . 1 1 70 70 GLY C C 588 172.820 172.820 173.252 -0.432 18091
5819 1 15 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.730 0.430 18091
5820 1 15 . 1 1 70 70 GLY H H 588 8.230 8.230 7.851 0.379 18091
5821 1 16 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.513 -0.283 18091
5822 1 16 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.119 0.131 18091
5823 1 16 . 1 1 2 2 PRO CB C 520 31.960 31.960 31.792 0.168 18091
5824 1 16 . 1 1 3 3 GLY N N 521 109.400 109.400 112.075 -2.675 18091
5825 1 16 . 1 1 3 3 GLY C C 521 174.300 174.300 173.210 1.090 18091
5826 1 16 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.687 0.493 18091
5827 1 16 . 1 1 3 3 GLY H H 521 8.490 8.490 8.230 0.260 18091
5828 1 16 . 1 1 4 4 THR N N 522 112.480 112.480 114.533 -2.053 18091
5829 1 16 . 1 1 4 4 THR HA H 522 4.300 4.300 4.462 -0.162 18091
5830 1 16 . 1 1 4 4 THR C C 522 174.690 174.690 174.212 0.478 18091
5831 1 16 . 1 1 4 4 THR CA C 522 61.240 61.240 61.142 0.097 18091
5832 1 16 . 1 1 4 4 THR CB C 522 69.960 69.960 71.447 -1.487 18091
5833 1 16 . 1 1 4 4 THR H H 522 7.860 7.860 7.982 -0.122 18091
5834 1 16 . 1 1 5 5 SER N N 523 117.450 117.450 114.236 3.214 18091
5835 1 16 . 1 1 5 5 SER HA H 523 3.890 3.890 4.071 -0.181 18091
5836 1 16 . 1 1 5 5 SER C C 523 173.320 173.320 174.025 -0.705 18091
5837 1 16 . 1 1 5 5 SER CA C 523 58.460 58.460 59.004 -0.544 18091
5838 1 16 . 1 1 5 5 SER CB C 523 63.690 63.690 62.602 1.088 18091
5839 1 16 . 1 1 5 5 SER H H 523 8.300 8.300 8.521 -0.221 18091
5840 1 16 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.527 -0.177 18091
5841 1 16 . 1 1 6 6 ASN C C 524 174.670 174.670 175.667 -0.997 18091
5842 1 16 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.492 -1.432 18091
5843 1 16 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.747 -0.037 18091
5844 1 16 . 1 1 7 7 GLU N N 525 120.970 120.970 119.738 1.232 18091
5845 1 16 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.460 -0.120 18091
5846 1 16 . 1 1 7 7 GLU C C 525 176.900 176.900 175.795 1.105 18091
5847 1 16 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.751 0.289 18091
5848 1 16 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.543 0.527 18091
5849 1 16 . 1 1 7 7 GLU H H 525 7.970 7.970 7.995 -0.025 18091
5850 1 16 . 1 1 8 8 THR N N 526 116.960 116.960 117.663 -0.703 18091
5851 1 16 . 1 1 8 8 THR HA H 526 4.540 4.540 4.606 -0.066 18091
5852 1 16 . 1 1 8 8 THR C C 526 173.410 173.410 174.219 -0.809 18091
5853 1 16 . 1 1 8 8 THR CA C 526 60.080 60.080 59.711 0.369 18091
5854 1 16 . 1 1 8 8 THR CB C 526 68.500 68.500 68.664 -0.164 18091
5855 1 16 . 1 1 8 8 THR H H 526 8.630 8.630 8.506 0.124 18091
5856 1 16 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.362 -0.172 18091
5857 1 16 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.783 0.327 18091
5858 1 16 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.012 -0.432 18091
5859 1 16 . 1 1 10 10 GLU N N 528 118.610 118.610 117.119 1.491 18091
5860 1 16 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.095 -0.115 18091
5861 1 16 . 1 1 10 10 GLU C C 528 178.550 178.550 178.984 -0.434 18091
5862 1 16 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.620 -0.040 18091
5863 1 16 . 1 1 10 10 GLU CB C 528 28.990 28.990 28.844 0.146 18091
5864 1 16 . 1 1 10 10 GLU H H 528 8.550 8.550 9.001 -0.451 18091
5865 1 16 . 1 1 11 11 GLU N N 529 121.090 121.090 119.992 1.098 18091
5866 1 16 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.278 -0.348 18091
5867 1 16 . 1 1 11 11 GLU C C 529 179.470 179.470 178.688 0.782 18091
5868 1 16 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.396 -0.446 18091
5869 1 16 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.565 -0.085 18091
5870 1 16 . 1 1 11 11 GLU H H 529 7.870 7.870 7.785 0.085 18091
5871 1 16 . 1 1 12 12 THR N N 530 118.050 118.050 116.807 1.243 18091
5872 1 16 . 1 1 12 12 THR HA H 530 3.750 3.750 3.973 -0.223 18091
5873 1 16 . 1 1 12 12 THR C C 530 175.770 175.770 176.205 -0.435 18091
5874 1 16 . 1 1 12 12 THR CA C 530 66.320 66.320 67.155 -0.835 18091
5875 1 16 . 1 1 12 12 THR CB C 530 68.430 68.430 68.966 -0.536 18091
5876 1 16 . 1 1 12 12 THR H H 530 8.390 8.390 7.636 0.754 18091
5877 1 16 . 1 1 13 13 TYR N N 531 122.280 122.280 122.496 -0.216 18091
5878 1 16 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.967 -0.147 18091
5879 1 16 . 1 1 13 13 TYR C C 531 176.420 176.420 177.209 -0.789 18091
5880 1 16 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.111 -0.671 18091
5881 1 16 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.384 -0.274 18091
5882 1 16 . 1 1 13 13 TYR H H 531 8.050 8.050 7.878 0.172 18091
5883 1 16 . 1 1 14 14 GLN N N 532 116.250 116.250 117.726 -1.476 18091
5884 1 16 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.850 -0.160 18091
5885 1 16 . 1 1 14 14 GLN C C 532 178.800 178.800 178.454 0.346 18091
5886 1 16 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.785 -0.165 18091
5887 1 16 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.359 -0.299 18091
5888 1 16 . 1 1 14 14 GLN H H 532 8.010 8.010 8.014 -0.004 18091
5889 1 16 . 1 1 15 15 ARG N N 533 118.730 118.730 119.625 -0.895 18091
5890 1 16 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.018 -0.098 18091
5891 1 16 . 1 1 15 15 ARG C C 533 179.030 179.030 179.040 -0.010 18091
5892 1 16 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.377 0.763 18091
5893 1 16 . 1 1 15 15 ARG CB C 533 29.800 29.800 29.584 0.215 18091
5894 1 16 . 1 1 15 15 ARG H H 533 7.800 7.800 7.801 -0.001 18091
5895 1 16 . 1 1 16 16 ALA N N 534 123.500 123.500 121.829 1.671 18091
5896 1 16 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.002 -0.042 18091
5897 1 16 . 1 1 16 16 ALA C C 534 178.860 178.860 179.507 -0.647 18091
5898 1 16 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.513 0.157 18091
5899 1 16 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.238 0.492 18091
5900 1 16 . 1 1 16 16 ALA H H 534 8.210 8.210 7.962 0.248 18091
5901 1 16 . 1 1 17 17 MET N N 535 111.910 111.910 116.468 -4.558 18091
5902 1 16 . 1 1 17 17 MET HA H 535 4.020 4.020 3.974 0.046 18091
5903 1 16 . 1 1 17 17 MET C C 535 176.890 176.890 177.116 -0.226 18091
5904 1 16 . 1 1 17 17 MET CA C 535 55.200 55.200 57.744 -2.544 18091
5905 1 16 . 1 1 17 17 MET CB C 535 31.110 31.110 32.423 -1.313 18091
5906 1 16 . 1 1 17 17 MET H H 535 7.480 7.480 7.783 -0.303 18091
5907 1 16 . 1 1 18 18 LYS N N 536 116.840 116.840 117.293 -0.453 18091
5908 1 16 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.085 -0.095 18091
5909 1 16 . 1 1 18 18 LYS C C 536 176.690 176.690 176.350 0.340 18091
5910 1 16 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.117 -0.527 18091
5911 1 16 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.371 -0.031 18091
5912 1 16 . 1 1 18 18 LYS H H 536 7.180 7.180 7.179 0.001 18091
5913 1 16 . 1 1 19 19 ASP N N 537 122.680 122.680 121.163 1.517 18091
5914 1 16 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.845 -0.045 18091
5915 1 16 . 1 1 19 19 ASP C C 537 174.720 174.720 175.364 -0.644 18091
5916 1 16 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.961 0.129 18091
5917 1 16 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.106 0.864 18091
5918 1 16 . 1 1 19 19 ASP H H 537 7.530 7.530 7.552 -0.022 18091
5919 1 16 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.206 -0.066 18091
5920 1 16 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.771 -0.021 18091
5921 1 16 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.093 0.027 18091
5922 1 16 . 1 1 21 21 GLU N N 539 118.590 118.590 117.940 0.650 18091
5923 1 16 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.033 -0.023 18091
5924 1 16 . 1 1 21 21 GLU C C 539 179.010 179.010 178.916 0.094 18091
5925 1 16 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.094 -0.244 18091
5926 1 16 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.230 0.110 18091
5927 1 16 . 1 1 21 21 GLU H H 539 8.200 8.200 7.831 0.369 18091
5928 1 16 . 1 1 22 22 VAL N N 540 120.690 120.690 120.391 0.299 18091
5929 1 16 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.557 -0.327 18091
5930 1 16 . 1 1 22 22 VAL C C 540 177.740 177.740 177.580 0.160 18091
5931 1 16 . 1 1 22 22 VAL CA C 540 66.090 66.090 67.000 -0.910 18091
5932 1 16 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.505 -0.155 18091
5933 1 16 . 1 1 22 22 VAL H H 540 7.350 7.350 7.872 -0.522 18091
5934 1 16 . 1 1 23 23 ALA N N 541 121.460 121.460 121.665 -0.205 18091
5935 1 16 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.883 -0.113 18091
5936 1 16 . 1 1 23 23 ALA C C 541 179.660 179.660 179.029 0.631 18091
5937 1 16 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.115 0.275 18091
5938 1 16 . 1 1 23 23 ALA CB C 541 17.710 17.710 17.943 -0.233 18091
5939 1 16 . 1 1 23 23 ALA H H 541 8.430 8.430 7.414 1.016 18091
5940 1 16 . 1 1 24 24 ALA N N 542 117.000 117.000 121.043 -4.043 18091
5941 1 16 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.087 -0.147 18091
5942 1 16 . 1 1 24 24 ALA C C 542 180.880 180.880 179.543 1.337 18091
5943 1 16 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.602 0.098 18091
5944 1 16 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.510 -0.560 18091
5945 1 16 . 1 1 24 24 ALA H H 542 7.380 7.380 7.576 -0.196 18091
5946 1 16 . 1 1 25 25 ILE N N 543 119.750 119.750 118.152 1.598 18091
5947 1 16 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.752 -0.062 18091
5948 1 16 . 1 1 25 25 ILE C C 543 177.450 177.450 178.535 -1.085 18091
5949 1 16 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.506 0.454 18091
5950 1 16 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.079 0.201 18091
5951 1 16 . 1 1 25 25 ILE H H 543 7.380 7.380 7.489 -0.109 18091
5952 1 16 . 1 1 26 26 MET N N 544 113.830 113.830 118.230 -4.400 18091
5953 1 16 . 1 1 26 26 MET HA H 544 4.140 4.140 4.108 0.032 18091
5954 1 16 . 1 1 26 26 MET C C 544 177.680 177.680 177.814 -0.134 18091
5955 1 16 . 1 1 26 26 MET CA C 544 55.660 55.660 58.864 -3.204 18091
5956 1 16 . 1 1 26 26 MET CB C 544 30.690 30.690 32.643 -1.953 18091
5957 1 16 . 1 1 26 26 MET H H 544 7.870 7.870 7.751 0.119 18091
5958 1 16 . 1 1 27 27 GLN N N 545 115.210 115.210 115.492 -0.282 18091
5959 1 16 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.324 -0.244 18091
5960 1 16 . 1 1 27 27 GLN C C 545 175.170 175.170 175.540 -0.370 18091
5961 1 16 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.821 -0.381 18091
5962 1 16 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.233 -0.243 18091
5963 1 16 . 1 1 27 27 GLN H H 545 7.340 7.340 7.450 -0.110 18091
5964 1 16 . 1 1 28 28 ASP N N 546 123.270 123.270 119.901 3.369 18091
5965 1 16 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.976 -0.256 18091
5966 1 16 . 1 1 28 28 ASP C C 546 175.220 175.220 175.334 -0.114 18091
5967 1 16 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.616 0.724 18091
5968 1 16 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.461 -0.081 18091
5969 1 16 . 1 1 28 28 ASP H H 546 7.320 7.320 7.612 -0.292 18091
5970 1 16 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.402 -0.282 18091
5971 1 16 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.057 0.863 18091
5972 1 16 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.486 -0.226 18091
5973 1 16 . 1 1 30 30 VAL N N 548 119.870 119.870 119.478 0.392 18091
5974 1 16 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.700 -0.120 18091
5975 1 16 . 1 1 30 30 VAL C C 548 179.010 179.010 177.940 1.070 18091
5976 1 16 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.018 -0.018 18091
5977 1 16 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.352 -0.242 18091
5978 1 16 . 1 1 30 30 VAL H H 548 8.000 8.000 7.930 0.070 18091
5979 1 16 . 1 1 31 31 MET N N 549 118.270 118.270 116.607 1.663 18091
5980 1 16 . 1 1 31 31 MET HA H 549 4.340 4.340 3.882 0.458 18091
5981 1 16 . 1 1 31 31 MET C C 549 178.830 178.830 178.390 0.440 18091
5982 1 16 . 1 1 31 31 MET CA C 549 55.140 55.140 59.469 -4.330 18091
5983 1 16 . 1 1 31 31 MET CB C 549 28.840 28.840 32.102 -3.262 18091
5984 1 16 . 1 1 31 31 MET H H 549 7.250 7.250 7.567 -0.317 18091
5985 1 16 . 1 1 32 32 GLN N N 550 118.190 118.190 118.550 -0.360 18091
5986 1 16 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.939 -0.199 18091
5987 1 16 . 1 1 32 32 GLN C C 550 178.840 178.840 178.391 0.449 18091
5988 1 16 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.120 0.300 18091
5989 1 16 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.291 -0.631 18091
5990 1 16 . 1 1 32 32 GLN H H 550 8.310 8.310 7.998 0.312 18091
5991 1 16 . 1 1 33 33 SER N N 551 114.010 114.010 115.495 -1.485 18091
5992 1 16 . 1 1 33 33 SER HA H 551 4.140 4.140 4.219 -0.079 18091
5993 1 16 . 1 1 33 33 SER C C 551 176.840 176.840 176.705 0.135 18091
5994 1 16 . 1 1 33 33 SER CA C 551 61.330 61.330 61.223 0.107 18091
5995 1 16 . 1 1 33 33 SER CB C 551 62.450 62.450 63.176 -0.726 18091
5996 1 16 . 1 1 33 33 SER H H 551 7.570 7.570 7.602 -0.032 18091
5997 1 16 . 1 1 34 34 ILE N N 552 123.490 123.490 123.223 0.267 18091
5998 1 16 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.513 -0.233 18091
5999 1 16 . 1 1 34 34 ILE C C 552 177.630 177.630 177.875 -0.245 18091
6000 1 16 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.792 0.888 18091
6001 1 16 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.342 0.379 18091
6002 1 16 . 1 1 34 34 ILE H H 552 7.600 7.600 7.528 0.072 18091
6003 1 16 . 1 1 35 35 LEU N N 553 119.520 119.520 119.590 -0.070 18091
6004 1 16 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.797 -0.047 18091
6005 1 16 . 1 1 35 35 LEU C C 553 179.440 179.440 179.243 0.197 18091
6006 1 16 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.128 -0.178 18091
6007 1 16 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.284 -0.584 18091
6008 1 16 . 1 1 35 35 LEU H H 553 8.330 8.330 7.638 0.692 18091
6009 1 16 . 1 1 36 36 GLN N N 554 118.590 118.590 117.865 0.725 18091
6010 1 16 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.113 -0.193 18091
6011 1 16 . 1 1 36 36 GLN C C 554 178.560 178.560 179.148 -0.588 18091
6012 1 16 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.876 -0.216 18091
6013 1 16 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.618 -0.558 18091
6014 1 16 . 1 1 36 36 GLN H H 554 7.800 7.800 7.835 -0.035 18091
6015 1 16 . 1 1 37 37 GLN N N 555 119.520 119.520 118.997 0.523 18091
6016 1 16 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.020 -0.090 18091
6017 1 16 . 1 1 37 37 GLN C C 555 178.400 178.400 178.558 -0.158 18091
6018 1 16 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.613 -0.083 18091
6019 1 16 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.636 0.154 18091
6020 1 16 . 1 1 37 37 GLN H H 555 7.990 7.990 8.086 -0.096 18091
6021 1 16 . 1 1 38 38 ALA N N 556 120.730 120.730 120.890 -0.160 18091
6022 1 16 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.286 -0.176 18091
6023 1 16 . 1 1 38 38 ALA C C 556 178.310 178.310 179.654 -1.344 18091
6024 1 16 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.611 -1.111 18091
6025 1 16 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.348 0.022 18091
6026 1 16 . 1 1 38 38 ALA H H 556 8.310 8.310 8.140 0.170 18091
6027 1 16 . 1 1 39 39 GLN N N 557 115.600 115.600 118.351 -2.751 18091
6028 1 16 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.047 -0.087 18091
6029 1 16 . 1 1 39 39 GLN C C 557 177.260 177.260 178.459 -1.199 18091
6030 1 16 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.275 -0.355 18091
6031 1 16 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.724 -0.244 18091
6032 1 16 . 1 1 39 39 GLN H H 557 7.530 7.530 7.762 -0.232 18091
6033 1 16 . 1 1 40 40 GLN N N 558 115.310 115.310 116.588 -1.278 18091
6034 1 16 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.216 -0.036 18091
6035 1 16 . 1 1 40 40 GLN C C 558 176.030 176.030 176.183 -0.153 18091
6036 1 16 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.451 -0.901 18091
6037 1 16 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.933 -0.614 18091
6038 1 16 . 1 1 40 40 GLN H H 558 7.350 7.350 7.635 -0.285 18091
6039 1 16 . 1 1 41 41 ASN N N 559 114.850 114.850 115.954 -1.104 18091
6040 1 16 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.034 -0.084 18091
6041 1 16 . 1 1 41 41 ASN C C 559 172.420 172.420 173.500 -1.080 18091
6042 1 16 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.224 -0.794 18091
6043 1 16 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.843 -1.963 18091
6044 1 16 . 1 1 41 41 ASN H H 559 7.900 7.900 7.985 -0.085 18091
6045 1 16 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.429 -0.100 18091
6046 1 16 . 1 1 42 42 PRO CA C 560 65.000 65.000 65.031 -0.031 18091
6047 1 16 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.032 -0.352 18091
6048 1 16 . 1 1 43 43 ALA N N 561 119.920 119.920 121.196 -1.276 18091
6049 1 16 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.248 -0.118 18091
6050 1 16 . 1 1 43 43 ALA C C 561 179.510 179.510 179.108 0.402 18091
6051 1 16 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.141 -0.091 18091
6052 1 16 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.014 0.036 18091
6053 1 16 . 1 1 43 43 ALA H H 561 7.850 7.850 7.978 -0.128 18091
6054 1 16 . 1 1 44 44 ALA N N 562 120.790 120.790 120.426 0.364 18091
6055 1 16 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.011 0.009 18091
6056 1 16 . 1 1 44 44 ALA C C 562 179.570 179.570 179.189 0.381 18091
6057 1 16 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.727 -0.607 18091
6058 1 16 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.644 -0.444 18091
6059 1 16 . 1 1 44 44 ALA H H 562 7.980 7.980 7.669 0.311 18091
6060 1 16 . 1 1 45 45 LEU N N 563 116.420 116.420 116.920 -0.500 18091
6061 1 16 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.438 -0.458 18091
6062 1 16 . 1 1 45 45 LEU C C 563 178.220 178.220 178.723 -0.503 18091
6063 1 16 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.321 0.319 18091
6064 1 16 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.361 0.329 18091
6065 1 16 . 1 1 45 45 LEU H H 563 7.510 7.510 7.473 0.037 18091
6066 1 16 . 1 1 46 46 GLN N N 564 115.510 115.510 119.243 -3.733 18091
6067 1 16 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.959 -0.099 18091
6068 1 16 . 1 1 46 46 GLN C C 564 178.300 178.300 178.392 -0.092 18091
6069 1 16 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.453 -0.733 18091
6070 1 16 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.359 -0.339 18091
6071 1 16 . 1 1 46 46 GLN H H 564 7.510 7.510 7.617 -0.107 18091
6072 1 16 . 1 1 47 47 GLU N N 565 117.680 117.680 118.670 -0.990 18091
6073 1 16 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.938 -0.038 18091
6074 1 16 . 1 1 47 47 GLU C C 565 179.070 179.070 179.104 -0.034 18091
6075 1 16 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.958 -0.578 18091
6076 1 16 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.974 0.015 18091
6077 1 16 . 1 1 47 47 GLU H H 565 7.440 7.440 7.843 -0.403 18091
6078 1 16 . 1 1 48 48 HIS N N 566 118.220 118.220 119.101 -0.881 18091
6079 1 16 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.309 0.071 18091
6080 1 16 . 1 1 48 48 HIS C C 566 177.280 177.280 176.670 0.610 18091
6081 1 16 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.895 -0.035 18091
6082 1 16 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.714 1.726 18091
6083 1 16 . 1 1 48 48 HIS H H 566 7.420 7.420 7.608 -0.188 18091
6084 1 16 . 1 1 49 49 MET N N 567 115.200 115.200 117.578 -2.378 18091
6085 1 16 . 1 1 49 49 MET HA H 567 3.840 3.840 4.263 -0.423 18091
6086 1 16 . 1 1 49 49 MET C C 567 175.260 175.260 178.097 -2.837 18091
6087 1 16 . 1 1 49 49 MET CA C 567 57.840 57.840 58.595 -0.755 18091
6088 1 16 . 1 1 49 49 MET CB C 567 33.080 33.080 32.807 0.273 18091
6089 1 16 . 1 1 49 49 MET H H 567 7.710 7.710 7.883 -0.173 18091
6090 1 16 . 1 1 50 50 LYS N N 568 116.040 116.040 117.157 -1.117 18091
6091 1 16 . 1 1 50 50 LYS HA H 568 3.960 3.960 3.989 -0.029 18091
6092 1 16 . 1 1 50 50 LYS C C 568 176.220 176.220 177.337 -1.117 18091
6093 1 16 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.709 -0.319 18091
6094 1 16 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.486 -0.266 18091
6095 1 16 . 1 1 50 50 LYS H H 568 7.140 7.140 7.588 -0.448 18091
6096 1 16 . 1 1 51 51 ASN N N 569 119.600 119.600 119.369 0.231 18091
6097 1 16 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.706 0.314 18091
6098 1 16 . 1 1 51 51 ASN C C 569 173.920 173.920 175.090 -1.170 18091
6099 1 16 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.093 -2.143 18091
6100 1 16 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.448 -0.448 18091
6101 1 16 . 1 1 51 51 ASN H H 569 7.480 7.480 7.765 -0.285 18091
6102 1 16 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.275 -0.015 18091
6103 1 16 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.957 -0.847 18091
6104 1 16 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.137 0.133 18091
6105 1 16 . 1 1 53 53 GLU N N 571 116.870 116.870 119.090 -2.220 18091
6106 1 16 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.142 -0.072 18091
6107 1 16 . 1 1 53 53 GLU C C 571 178.830 178.830 178.958 -0.128 18091
6108 1 16 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.694 -0.814 18091
6109 1 16 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.409 0.021 18091
6110 1 16 . 1 1 53 53 GLU H H 571 7.960 7.960 8.661 -0.701 18091
6111 1 16 . 1 1 54 54 VAL N N 572 118.290 118.290 119.361 -1.071 18091
6112 1 16 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.837 -0.177 18091
6113 1 16 . 1 1 54 54 VAL C C 572 177.620 177.620 177.803 -0.183 18091
6114 1 16 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.242 -0.142 18091
6115 1 16 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.290 0.920 18091
6116 1 16 . 1 1 54 54 VAL H H 572 7.330 7.330 7.867 -0.537 18091
6117 1 16 . 1 1 55 55 PHE N N 573 121.090 121.090 122.323 -1.233 18091
6118 1 16 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.209 -0.319 18091
6119 1 16 . 1 1 55 55 PHE C C 573 176.760 176.760 177.111 -0.351 18091
6120 1 16 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.598 0.632 18091
6121 1 16 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.905 -0.285 18091
6122 1 16 . 1 1 55 55 PHE H H 573 8.700 8.700 8.847 -0.147 18091
6123 1 16 . 1 1 56 56 LYS N N 574 116.910 116.910 118.286 -1.376 18091
6124 1 16 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.639 0.151 18091
6125 1 16 . 1 1 56 56 LYS C C 574 178.980 178.980 178.923 0.057 18091
6126 1 16 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.808 -0.328 18091
6127 1 16 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.145 0.055 18091
6128 1 16 . 1 1 56 56 LYS H H 574 7.800 7.800 7.845 -0.045 18091
6129 1 16 . 1 1 57 57 LYS N N 575 119.120 119.120 119.564 -0.444 18091
6130 1 16 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.001 -0.091 18091
6131 1 16 . 1 1 57 57 LYS C C 575 178.520 178.520 179.081 -0.561 18091
6132 1 16 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.456 0.494 18091
6133 1 16 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.420 0.640 18091
6134 1 16 . 1 1 57 57 LYS H H 575 7.170 7.170 7.249 -0.079 18091
6135 1 16 . 1 1 58 58 ILE N N 576 119.180 119.180 119.068 0.112 18091
6136 1 16 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.737 -0.417 18091
6137 1 16 . 1 1 58 58 ILE C C 576 177.820 177.820 178.236 -0.416 18091
6138 1 16 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.135 0.395 18091
6139 1 16 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.958 -0.708 18091
6140 1 16 . 1 1 58 58 ILE H H 576 8.300 8.300 8.507 -0.207 18091
6141 1 16 . 1 1 59 59 GLN N N 577 118.000 118.000 118.386 -0.386 18091
6142 1 16 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.855 -0.185 18091
6143 1 16 . 1 1 59 59 GLN C C 577 179.250 179.250 178.575 0.675 18091
6144 1 16 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.063 0.057 18091
6145 1 16 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.315 -0.475 18091
6146 1 16 . 1 1 59 59 GLN H H 577 8.180 8.180 7.850 0.330 18091
6147 1 16 . 1 1 60 60 THR N N 578 118.670 118.670 117.081 1.589 18091
6148 1 16 . 1 1 60 60 THR HA H 578 3.760 3.760 3.882 -0.122 18091
6149 1 16 . 1 1 60 60 THR C C 578 176.060 176.060 176.510 -0.450 18091
6150 1 16 . 1 1 60 60 THR CA C 578 66.890 66.890 67.320 -0.430 18091
6151 1 16 . 1 1 60 60 THR CB C 578 68.030 68.030 68.665 -0.635 18091
6152 1 16 . 1 1 60 60 THR H H 578 7.780 7.780 7.675 0.105 18091
6153 1 16 . 1 1 61 61 LEU N N 579 120.680 120.680 120.707 -0.027 18091
6154 1 16 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.037 -0.187 18091
6155 1 16 . 1 1 61 61 LEU C C 579 179.590 179.590 178.782 0.808 18091
6156 1 16 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.685 -0.035 18091
6157 1 16 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.458 -0.478 18091
6158 1 16 . 1 1 61 61 LEU H H 579 7.620 7.620 7.385 0.235 18091
6159 1 16 . 1 1 62 62 ILE N N 580 122.880 122.880 120.626 2.254 18091
6160 1 16 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.756 0.274 18091
6161 1 16 . 1 1 62 62 ILE C C 580 180.260 180.260 179.142 1.118 18091
6162 1 16 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.963 -0.233 18091
6163 1 16 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.712 0.598 18091
6164 1 16 . 1 1 62 62 ILE H H 580 8.540 8.540 7.564 0.977 18091
6165 1 16 . 1 1 63 63 ALA N N 581 124.510 124.510 123.026 1.484 18091
6166 1 16 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.098 -0.128 18091
6167 1 16 . 1 1 63 63 ALA C C 581 179.000 179.000 178.728 0.272 18091
6168 1 16 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.566 0.274 18091
6169 1 16 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.229 -0.729 18091
6170 1 16 . 1 1 63 63 ALA H H 581 8.120 8.120 8.018 0.102 18091
6171 1 16 . 1 1 64 64 ALA N N 582 116.250 116.250 119.025 -2.775 18091
6172 1 16 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.229 -0.089 18091
6173 1 16 . 1 1 64 64 ALA C C 582 177.040 177.040 177.706 -0.666 18091
6174 1 16 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.005 0.175 18091
6175 1 16 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.205 0.655 18091
6176 1 16 . 1 1 64 64 ALA H H 582 7.470 7.470 7.467 0.003 18091
6177 1 16 . 1 1 65 65 GLY N N 583 104.540 104.540 106.227 -1.687 18091
6178 1 16 . 1 1 65 65 GLY C C 583 174.180 174.180 175.577 -1.397 18091
6179 1 16 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.911 -1.121 18091
6180 1 16 . 1 1 65 65 GLY H H 583 7.600 7.600 7.612 -0.012 18091
6181 1 16 . 1 1 66 66 ILE N N 584 118.630 118.630 118.759 -0.129 18091
6182 1 16 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.167 -0.407 18091
6183 1 16 . 1 1 66 66 ILE C C 584 175.660 175.660 175.506 0.154 18091
6184 1 16 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.528 -0.978 18091
6185 1 16 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.865 -1.255 18091
6186 1 16 . 1 1 66 66 ILE H H 584 7.590 7.590 7.879 -0.289 18091
6187 1 16 . 1 1 67 67 ILE N N 585 116.360 116.360 117.767 -1.407 18091
6188 1 16 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.359 -0.189 18091
6189 1 16 . 1 1 67 67 ILE C C 585 174.370 174.370 175.725 -1.355 18091
6190 1 16 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.142 -0.663 18091
6191 1 16 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.486 -0.856 18091
6192 1 16 . 1 1 67 67 ILE H H 585 6.490 6.490 7.340 -0.850 18091
6193 1 16 . 1 1 68 68 ARG N N 586 125.450 125.450 122.382 3.068 18091
6194 1 16 . 1 1 68 68 ARG HA H 586 4.380 4.380 3.875 0.505 18091
6195 1 16 . 1 1 68 68 ARG C C 586 175.720 175.720 178.289 -2.569 18091
6196 1 16 . 1 1 68 68 ARG CA C 586 54.920 54.920 59.062 -4.142 18091
6197 1 16 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.660 2.660 18091
6198 1 16 . 1 1 68 68 ARG H H 586 8.500 8.500 8.982 -0.482 18091
6199 1 16 . 1 1 69 69 THR N N 587 113.710 113.710 113.456 0.254 18091
6200 1 16 . 1 1 69 69 THR HA H 587 4.300 4.300 4.117 0.183 18091
6201 1 16 . 1 1 69 69 THR C C 587 174.760 174.760 175.520 -0.760 18091
6202 1 16 . 1 1 69 69 THR CA C 587 61.300 61.300 64.962 -3.662 18091
6203 1 16 . 1 1 69 69 THR CB C 587 69.720 69.720 68.850 0.870 18091
6204 1 16 . 1 1 69 69 THR H H 587 8.250 8.250 8.242 0.008 18091
6205 1 16 . 1 1 70 70 GLY N N 588 110.720 110.720 110.419 0.301 18091
6206 1 16 . 1 1 70 70 GLY C C 588 172.820 172.820 173.047 -0.227 18091
6207 1 16 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.830 0.330 18091
6208 1 16 . 1 1 70 70 GLY H H 588 8.230 8.230 7.667 0.563 18091
6209 1 17 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.518 -0.287 18091
6210 1 17 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.002 0.248 18091
6211 1 17 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.157 -0.197 18091
6212 1 17 . 1 1 3 3 GLY N N 521 109.400 109.400 109.473 -0.073 18091
6213 1 17 . 1 1 3 3 GLY C C 521 174.300 174.300 174.470 -0.170 18091
6214 1 17 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.280 -0.100 18091
6215 1 17 . 1 1 3 3 GLY H H 521 8.490 8.490 8.885 -0.395 18091
6216 1 17 . 1 1 4 4 THR N N 522 112.480 112.480 112.700 -0.220 18091
6217 1 17 . 1 1 4 4 THR HA H 522 4.300 4.300 4.421 -0.121 18091
6218 1 17 . 1 1 4 4 THR C C 522 174.690 174.690 175.128 -0.438 18091
6219 1 17 . 1 1 4 4 THR CA C 522 61.240 61.240 61.781 -0.540 18091
6220 1 17 . 1 1 4 4 THR CB C 522 69.960 69.960 69.631 0.329 18091
6221 1 17 . 1 1 4 4 THR H H 522 7.860 7.860 7.980 -0.120 18091
6222 1 17 . 1 1 5 5 SER N N 523 117.450 117.450 118.483 -1.033 18091
6223 1 17 . 1 1 5 5 SER HA H 523 3.890 3.890 4.617 -0.727 18091
6224 1 17 . 1 1 5 5 SER C C 523 173.320 173.320 173.349 -0.029 18091
6225 1 17 . 1 1 5 5 SER CA C 523 58.460 58.460 57.668 0.792 18091
6226 1 17 . 1 1 5 5 SER CB C 523 63.690 63.690 65.323 -1.633 18091
6227 1 17 . 1 1 5 5 SER H H 523 8.300 8.300 8.042 0.258 18091
6228 1 17 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.622 -0.272 18091
6229 1 17 . 1 1 6 6 ASN C C 524 174.670 174.670 174.700 -0.030 18091
6230 1 17 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.190 -0.130 18091
6231 1 17 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.605 0.105 18091
6232 1 17 . 1 1 7 7 GLU N N 525 120.970 120.970 124.865 -3.895 18091
6233 1 17 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.274 0.067 18091
6234 1 17 . 1 1 7 7 GLU C C 525 176.900 176.900 176.178 0.722 18091
6235 1 17 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.183 -1.143 18091
6236 1 17 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.215 0.855 18091
6237 1 17 . 1 1 7 7 GLU H H 525 7.970 7.970 8.456 -0.486 18091
6238 1 17 . 1 1 8 8 THR N N 526 116.960 116.960 115.853 1.107 18091
6239 1 17 . 1 1 8 8 THR HA H 526 4.540 4.540 4.730 -0.190 18091
6240 1 17 . 1 1 8 8 THR C C 526 173.410 173.410 173.299 0.111 18091
6241 1 17 . 1 1 8 8 THR CA C 526 60.080 60.080 59.493 0.587 18091
6242 1 17 . 1 1 8 8 THR CB C 526 68.500 68.500 68.774 -0.274 18091
6243 1 17 . 1 1 8 8 THR H H 526 8.630 8.630 8.211 0.419 18091
6244 1 17 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.360 -0.170 18091
6245 1 17 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.827 0.283 18091
6246 1 17 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.002 -0.422 18091
6247 1 17 . 1 1 10 10 GLU N N 528 118.610 118.610 117.135 1.475 18091
6248 1 17 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.942 0.038 18091
6249 1 17 . 1 1 10 10 GLU C C 528 178.550 178.550 178.841 -0.291 18091
6250 1 17 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.663 -0.083 18091
6251 1 17 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.055 -0.065 18091
6252 1 17 . 1 1 10 10 GLU H H 528 8.550 8.550 8.899 -0.349 18091
6253 1 17 . 1 1 11 11 GLU N N 529 121.090 121.090 120.109 0.981 18091
6254 1 17 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.289 -0.359 18091
6255 1 17 . 1 1 11 11 GLU C C 529 179.470 179.470 178.785 0.685 18091
6256 1 17 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.130 -0.180 18091
6257 1 17 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.696 -0.216 18091
6258 1 17 . 1 1 11 11 GLU H H 529 7.870 7.870 7.802 0.068 18091
6259 1 17 . 1 1 12 12 THR N N 530 118.050 118.050 117.226 0.824 18091
6260 1 17 . 1 1 12 12 THR HA H 530 3.750 3.750 4.014 -0.264 18091
6261 1 17 . 1 1 12 12 THR C C 530 175.770 175.770 176.652 -0.882 18091
6262 1 17 . 1 1 12 12 THR CA C 530 66.320 66.320 67.345 -1.025 18091
6263 1 17 . 1 1 12 12 THR CB C 530 68.430 68.430 68.972 -0.542 18091
6264 1 17 . 1 1 12 12 THR H H 530 8.390 8.390 7.519 0.871 18091
6265 1 17 . 1 1 13 13 TYR N N 531 122.280 122.280 120.911 1.369 18091
6266 1 17 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.057 -0.237 18091
6267 1 17 . 1 1 13 13 TYR C C 531 176.420 176.420 177.947 -1.527 18091
6268 1 17 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.390 0.050 18091
6269 1 17 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.931 0.179 18091
6270 1 17 . 1 1 13 13 TYR H H 531 8.050 8.050 8.099 -0.049 18091
6271 1 17 . 1 1 14 14 GLN N N 532 116.250 116.250 117.937 -1.687 18091
6272 1 17 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.925 -0.235 18091
6273 1 17 . 1 1 14 14 GLN C C 532 178.800 178.800 178.330 0.470 18091
6274 1 17 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.761 -0.141 18091
6275 1 17 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.272 -0.212 18091
6276 1 17 . 1 1 14 14 GLN H H 532 8.010 8.010 8.041 -0.031 18091
6277 1 17 . 1 1 15 15 ARG N N 533 118.730 118.730 120.728 -1.998 18091
6278 1 17 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.019 -0.099 18091
6279 1 17 . 1 1 15 15 ARG C C 533 179.030 179.030 178.945 0.085 18091
6280 1 17 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.032 0.108 18091
6281 1 17 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.205 -0.405 18091
6282 1 17 . 1 1 15 15 ARG H H 533 7.800 7.800 7.835 -0.035 18091
6283 1 17 . 1 1 16 16 ALA N N 534 123.500 123.500 122.442 1.058 18091
6284 1 17 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.070 -0.110 18091
6285 1 17 . 1 1 16 16 ALA C C 534 178.860 178.860 180.265 -1.405 18091
6286 1 17 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.838 -0.168 18091
6287 1 17 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.230 0.500 18091
6288 1 17 . 1 1 16 16 ALA H H 534 8.210 8.210 7.915 0.295 18091
6289 1 17 . 1 1 17 17 MET N N 535 111.910 111.910 115.061 -3.151 18091
6290 1 17 . 1 1 17 17 MET HA H 535 4.020 4.020 4.233 -0.213 18091
6291 1 17 . 1 1 17 17 MET C C 535 176.890 176.890 177.498 -0.608 18091
6292 1 17 . 1 1 17 17 MET CA C 535 55.200 55.200 57.030 -1.830 18091
6293 1 17 . 1 1 17 17 MET CB C 535 31.110 31.110 31.775 -0.665 18091
6294 1 17 . 1 1 17 17 MET H H 535 7.480 7.480 7.968 -0.488 18091
6295 1 17 . 1 1 18 18 LYS N N 536 116.840 116.840 116.768 0.072 18091
6296 1 17 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.194 -0.204 18091
6297 1 17 . 1 1 18 18 LYS C C 536 176.690 176.690 176.626 0.064 18091
6298 1 17 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.008 -0.418 18091
6299 1 17 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.569 -0.229 18091
6300 1 17 . 1 1 18 18 LYS H H 536 7.180 7.180 7.330 -0.150 18091
6301 1 17 . 1 1 19 19 ASP N N 537 122.680 122.680 121.158 1.522 18091
6302 1 17 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.901 -0.101 18091
6303 1 17 . 1 1 19 19 ASP C C 537 174.720 174.720 175.297 -0.577 18091
6304 1 17 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.024 0.066 18091
6305 1 17 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.315 0.656 18091
6306 1 17 . 1 1 19 19 ASP H H 537 7.530 7.530 7.666 -0.136 18091
6307 1 17 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.227 -0.087 18091
6308 1 17 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.896 -0.146 18091
6309 1 17 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.158 -0.038 18091
6310 1 17 . 1 1 21 21 GLU N N 539 118.590 118.590 117.904 0.686 18091
6311 1 17 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.059 -0.049 18091
6312 1 17 . 1 1 21 21 GLU C C 539 179.010 179.010 179.081 -0.071 18091
6313 1 17 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.184 -0.334 18091
6314 1 17 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.313 0.027 18091
6315 1 17 . 1 1 21 21 GLU H H 539 8.200 8.200 7.918 0.282 18091
6316 1 17 . 1 1 22 22 VAL N N 540 120.690 120.690 120.393 0.297 18091
6317 1 17 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.524 -0.294 18091
6318 1 17 . 1 1 22 22 VAL C C 540 177.740 177.740 177.700 0.040 18091
6319 1 17 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.340 -0.250 18091
6320 1 17 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.449 -0.099 18091
6321 1 17 . 1 1 22 22 VAL H H 540 7.350 7.350 7.647 -0.297 18091
6322 1 17 . 1 1 23 23 ALA N N 541 121.460 121.460 122.459 -0.999 18091
6323 1 17 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.986 -0.216 18091
6324 1 17 . 1 1 23 23 ALA C C 541 179.660 179.660 179.370 0.290 18091
6325 1 17 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.016 0.374 18091
6326 1 17 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.288 -0.578 18091
6327 1 17 . 1 1 23 23 ALA H H 541 8.430 8.430 7.602 0.828 18091
6328 1 17 . 1 1 24 24 ALA N N 542 117.000 117.000 121.025 -4.025 18091
6329 1 17 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.119 -0.179 18091
6330 1 17 . 1 1 24 24 ALA C C 542 180.880 180.880 179.173 1.707 18091
6331 1 17 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.523 0.177 18091
6332 1 17 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.350 -0.400 18091
6333 1 17 . 1 1 24 24 ALA H H 542 7.380 7.380 7.603 -0.223 18091
6334 1 17 . 1 1 25 25 ILE N N 543 119.750 119.750 118.511 1.239 18091
6335 1 17 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.774 -0.084 18091
6336 1 17 . 1 1 25 25 ILE C C 543 177.450 177.450 178.495 -1.045 18091
6337 1 17 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.458 0.502 18091
6338 1 17 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.204 0.076 18091
6339 1 17 . 1 1 25 25 ILE H H 543 7.380 7.380 7.393 -0.013 18091
6340 1 17 . 1 1 26 26 MET N N 544 113.830 113.830 117.661 -3.831 18091
6341 1 17 . 1 1 26 26 MET HA H 544 4.140 4.140 4.097 0.043 18091
6342 1 17 . 1 1 26 26 MET C C 544 177.680 177.680 177.805 -0.125 18091
6343 1 17 . 1 1 26 26 MET CA C 544 55.660 55.660 58.651 -2.991 18091
6344 1 17 . 1 1 26 26 MET CB C 544 30.690 30.690 32.689 -1.999 18091
6345 1 17 . 1 1 26 26 MET H H 544 7.870 7.870 7.725 0.145 18091
6346 1 17 . 1 1 27 27 GLN N N 545 115.210 115.210 115.611 -0.401 18091
6347 1 17 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.309 -0.229 18091
6348 1 17 . 1 1 27 27 GLN C C 545 175.170 175.170 175.543 -0.373 18091
6349 1 17 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.018 -0.578 18091
6350 1 17 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.344 -0.354 18091
6351 1 17 . 1 1 27 27 GLN H H 545 7.340 7.340 7.424 -0.084 18091
6352 1 17 . 1 1 28 28 ASP N N 546 123.270 123.270 119.495 3.775 18091
6353 1 17 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.003 -0.283 18091
6354 1 17 . 1 1 28 28 ASP C C 546 175.220 175.220 175.109 0.111 18091
6355 1 17 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.582 0.758 18091
6356 1 17 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.648 -0.268 18091
6357 1 17 . 1 1 28 28 ASP H H 546 7.320 7.320 7.726 -0.406 18091
6358 1 17 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.358 -0.238 18091
6359 1 17 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.004 0.916 18091
6360 1 17 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.633 -0.373 18091
6361 1 17 . 1 1 30 30 VAL N N 548 119.870 119.870 119.589 0.281 18091
6362 1 17 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.610 -0.030 18091
6363 1 17 . 1 1 30 30 VAL C C 548 179.010 179.010 177.732 1.278 18091
6364 1 17 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.595 -0.595 18091
6365 1 17 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.570 -0.460 18091
6366 1 17 . 1 1 30 30 VAL H H 548 8.000 8.000 7.727 0.273 18091
6367 1 17 . 1 1 31 31 MET N N 549 118.270 118.270 117.124 1.146 18091
6368 1 17 . 1 1 31 31 MET HA H 549 4.340 4.340 3.973 0.367 18091
6369 1 17 . 1 1 31 31 MET C C 549 178.830 178.830 178.286 0.544 18091
6370 1 17 . 1 1 31 31 MET CA C 549 55.140 55.140 58.738 -3.598 18091
6371 1 17 . 1 1 31 31 MET CB C 549 28.840 28.840 32.240 -3.400 18091
6372 1 17 . 1 1 31 31 MET H H 549 7.250 7.250 7.796 -0.546 18091
6373 1 17 . 1 1 32 32 GLN N N 550 118.190 118.190 119.215 -1.025 18091
6374 1 17 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.923 -0.183 18091
6375 1 17 . 1 1 32 32 GLN C C 550 178.840 178.840 178.518 0.322 18091
6376 1 17 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.113 0.307 18091
6377 1 17 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.388 -0.728 18091
6378 1 17 . 1 1 32 32 GLN H H 550 8.310 8.310 8.444 -0.134 18091
6379 1 17 . 1 1 33 33 SER N N 551 114.010 114.010 116.079 -2.069 18091
6380 1 17 . 1 1 33 33 SER HA H 551 4.140 4.140 4.148 -0.008 18091
6381 1 17 . 1 1 33 33 SER C C 551 176.840 176.840 176.638 0.202 18091
6382 1 17 . 1 1 33 33 SER CA C 551 61.330 61.330 62.320 -0.990 18091
6383 1 17 . 1 1 33 33 SER CB C 551 62.450 62.450 62.962 -0.512 18091
6384 1 17 . 1 1 33 33 SER H H 551 7.570 7.570 7.686 -0.116 18091
6385 1 17 . 1 1 34 34 ILE N N 552 123.490 123.490 122.912 0.578 18091
6386 1 17 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.707 -0.427 18091
6387 1 17 . 1 1 34 34 ILE C C 552 177.630 177.630 178.012 -0.382 18091
6388 1 17 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.954 0.726 18091
6389 1 17 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.458 0.263 18091
6390 1 17 . 1 1 34 34 ILE H H 552 7.600 7.600 7.475 0.125 18091
6391 1 17 . 1 1 35 35 LEU N N 553 119.520 119.520 119.364 0.156 18091
6392 1 17 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.795 -0.045 18091
6393 1 17 . 1 1 35 35 LEU C C 553 179.440 179.440 179.009 0.431 18091
6394 1 17 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.037 -0.087 18091
6395 1 17 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.224 -0.524 18091
6396 1 17 . 1 1 35 35 LEU H H 553 8.330 8.330 7.798 0.532 18091
6397 1 17 . 1 1 36 36 GLN N N 554 118.590 118.590 118.614 -0.024 18091
6398 1 17 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.854 0.066 18091
6399 1 17 . 1 1 36 36 GLN C C 554 178.560 178.560 178.525 0.035 18091
6400 1 17 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.265 -0.605 18091
6401 1 17 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.534 -0.474 18091
6402 1 17 . 1 1 36 36 GLN H H 554 7.800 7.800 7.788 0.012 18091
6403 1 17 . 1 1 37 37 GLN N N 555 119.520 119.520 118.647 0.873 18091
6404 1 17 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.216 -0.286 18091
6405 1 17 . 1 1 37 37 GLN C C 555 178.400 178.400 178.621 -0.221 18091
6406 1 17 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.671 -0.141 18091
6407 1 17 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.666 0.124 18091
6408 1 17 . 1 1 37 37 GLN H H 555 7.990 7.990 8.040 -0.050 18091
6409 1 17 . 1 1 38 38 ALA N N 556 120.730 120.730 121.480 -0.750 18091
6410 1 17 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.351 -0.241 18091
6411 1 17 . 1 1 38 38 ALA C C 556 178.310 178.310 179.720 -1.410 18091
6412 1 17 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.821 -1.321 18091
6413 1 17 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.341 0.029 18091
6414 1 17 . 1 1 38 38 ALA H H 556 8.310 8.310 8.037 0.274 18091
6415 1 17 . 1 1 39 39 GLN N N 557 115.600 115.600 117.491 -1.891 18091
6416 1 17 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.005 -0.045 18091
6417 1 17 . 1 1 39 39 GLN C C 557 177.260 177.260 178.682 -1.422 18091
6418 1 17 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.283 -0.363 18091
6419 1 17 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.640 -0.160 18091
6420 1 17 . 1 1 39 39 GLN H H 557 7.530 7.530 7.739 -0.209 18091
6421 1 17 . 1 1 40 40 GLN N N 558 115.310 115.310 116.971 -1.661 18091
6422 1 17 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091
6423 1 17 . 1 1 40 40 GLN C C 558 176.030 176.030 176.437 -0.407 18091
6424 1 17 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.715 -1.165 18091
6425 1 17 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.855 -0.535 18091
6426 1 17 . 1 1 40 40 GLN H H 558 7.350 7.350 7.580 -0.230 18091
6427 1 17 . 1 1 41 41 ASN N N 559 114.850 114.850 114.936 -0.086 18091
6428 1 17 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.080 -0.130 18091
6429 1 17 . 1 1 41 41 ASN C C 559 172.420 172.420 173.255 -0.835 18091
6430 1 17 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.585 -1.155 18091
6431 1 17 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.237 -2.357 18091
6432 1 17 . 1 1 41 41 ASN H H 559 7.900 7.900 8.097 -0.197 18091
6433 1 17 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.617 -0.287 18091
6434 1 17 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.763 0.237 18091
6435 1 17 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.303 -0.623 18091
6436 1 17 . 1 1 43 43 ALA N N 561 119.920 119.920 120.520 -0.600 18091
6437 1 17 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.402 -0.272 18091
6438 1 17 . 1 1 43 43 ALA C C 561 179.510 179.510 178.699 0.811 18091
6439 1 17 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.036 0.014 18091
6440 1 17 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.331 -0.281 18091
6441 1 17 . 1 1 43 43 ALA H H 561 7.850 7.850 7.624 0.226 18091
6442 1 17 . 1 1 44 44 ALA N N 562 120.790 120.790 121.790 -1.000 18091
6443 1 17 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.159 -0.139 18091
6444 1 17 . 1 1 44 44 ALA C C 562 179.570 179.570 179.705 -0.135 18091
6445 1 17 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.076 -0.956 18091
6446 1 17 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.528 -0.328 18091
6447 1 17 . 1 1 44 44 ALA H H 562 7.980 7.980 7.682 0.298 18091
6448 1 17 . 1 1 45 45 LEU N N 563 116.420 116.420 116.904 -0.484 18091
6449 1 17 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.383 -0.403 18091
6450 1 17 . 1 1 45 45 LEU C C 563 178.220 178.220 178.811 -0.591 18091
6451 1 17 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.647 0.993 18091
6452 1 17 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.437 1.253 18091
6453 1 17 . 1 1 45 45 LEU H H 563 7.510 7.510 7.867 -0.357 18091
6454 1 17 . 1 1 46 46 GLN N N 564 115.510 115.510 119.834 -4.324 18091
6455 1 17 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.939 -0.079 18091
6456 1 17 . 1 1 46 46 GLN C C 564 178.300 178.300 178.484 -0.184 18091
6457 1 17 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.400 -0.680 18091
6458 1 17 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.480 -0.460 18091
6459 1 17 . 1 1 46 46 GLN H H 564 7.510 7.510 7.957 -0.447 18091
6460 1 17 . 1 1 47 47 GLU N N 565 117.680 117.680 118.096 -0.416 18091
6461 1 17 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.963 -0.063 18091
6462 1 17 . 1 1 47 47 GLU C C 565 179.070 179.070 179.236 -0.166 18091
6463 1 17 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.862 -0.482 18091
6464 1 17 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.058 -0.068 18091
6465 1 17 . 1 1 47 47 GLU H H 565 7.440 7.440 7.842 -0.402 18091
6466 1 17 . 1 1 48 48 HIS N N 566 118.220 118.220 119.599 -1.379 18091
6467 1 17 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.369 0.011 18091
6468 1 17 . 1 1 48 48 HIS C C 566 177.280 177.280 177.951 -0.671 18091
6469 1 17 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.237 -0.377 18091
6470 1 17 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.835 1.605 18091
6471 1 17 . 1 1 48 48 HIS H H 566 7.420 7.420 7.505 -0.085 18091
6472 1 17 . 1 1 49 49 MET N N 567 115.200 115.200 118.421 -3.221 18091
6473 1 17 . 1 1 49 49 MET HA H 567 3.840 3.840 4.333 -0.493 18091
6474 1 17 . 1 1 49 49 MET C C 567 175.260 175.260 177.490 -2.230 18091
6475 1 17 . 1 1 49 49 MET CA C 567 57.840 57.840 58.559 -0.719 18091
6476 1 17 . 1 1 49 49 MET CB C 567 33.080 33.080 32.807 0.273 18091
6477 1 17 . 1 1 49 49 MET H H 567 7.710 7.710 7.980 -0.270 18091
6478 1 17 . 1 1 50 50 LYS N N 568 116.040 116.040 115.621 0.419 18091
6479 1 17 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.139 -0.179 18091
6480 1 17 . 1 1 50 50 LYS C C 568 176.220 176.220 177.125 -0.905 18091
6481 1 17 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.075 0.315 18091
6482 1 17 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.269 -0.049 18091
6483 1 17 . 1 1 50 50 LYS H H 568 7.140 7.140 7.665 -0.525 18091
6484 1 17 . 1 1 51 51 ASN N N 569 119.600 119.600 118.702 0.898 18091
6485 1 17 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.829 0.191 18091
6486 1 17 . 1 1 51 51 ASN C C 569 173.920 173.920 175.100 -1.180 18091
6487 1 17 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.641 -1.691 18091
6488 1 17 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.844 -0.845 18091
6489 1 17 . 1 1 51 51 ASN H H 569 7.480 7.480 7.436 0.044 18091
6490 1 17 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.284 -0.024 18091
6491 1 17 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.678 -0.568 18091
6492 1 17 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.097 0.173 18091
6493 1 17 . 1 1 53 53 GLU N N 571 116.870 116.870 119.412 -2.542 18091
6494 1 17 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.165 -0.095 18091
6495 1 17 . 1 1 53 53 GLU C C 571 178.830 178.830 178.990 -0.160 18091
6496 1 17 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.566 -0.687 18091
6497 1 17 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.445 -0.015 18091
6498 1 17 . 1 1 53 53 GLU H H 571 7.960 7.960 8.707 -0.747 18091
6499 1 17 . 1 1 54 54 VAL N N 572 118.290 118.290 119.411 -1.121 18091
6500 1 17 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.837 -0.177 18091
6501 1 17 . 1 1 54 54 VAL C C 572 177.620 177.620 178.007 -0.387 18091
6502 1 17 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.183 -1.083 18091
6503 1 17 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.261 0.949 18091
6504 1 17 . 1 1 54 54 VAL H H 572 7.330 7.330 7.970 -0.640 18091
6505 1 17 . 1 1 55 55 PHE N N 573 121.090 121.090 121.958 -0.868 18091
6506 1 17 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.020 -0.130 18091
6507 1 17 . 1 1 55 55 PHE C C 573 176.760 176.760 176.952 -0.192 18091
6508 1 17 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.274 -0.044 18091
6509 1 17 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.847 -0.227 18091
6510 1 17 . 1 1 55 55 PHE H H 573 8.700 8.700 8.657 0.043 18091
6511 1 17 . 1 1 56 56 LYS N N 574 116.910 116.910 118.874 -1.964 18091
6512 1 17 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.737 0.053 18091
6513 1 17 . 1 1 56 56 LYS C C 574 178.980 178.980 178.773 0.207 18091
6514 1 17 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.908 -0.428 18091
6515 1 17 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.314 -0.114 18091
6516 1 17 . 1 1 56 56 LYS H H 574 7.800 7.800 7.876 -0.076 18091
6517 1 17 . 1 1 57 57 LYS N N 575 119.120 119.120 119.177 -0.057 18091
6518 1 17 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.994 -0.084 18091
6519 1 17 . 1 1 57 57 LYS C C 575 178.520 178.520 179.135 -0.615 18091
6520 1 17 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.508 0.442 18091
6521 1 17 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.411 0.649 18091
6522 1 17 . 1 1 57 57 LYS H H 575 7.170 7.170 7.294 -0.124 18091
6523 1 17 . 1 1 58 58 ILE N N 576 119.180 119.180 119.287 -0.107 18091
6524 1 17 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.740 -0.420 18091
6525 1 17 . 1 1 58 58 ILE C C 576 177.820 177.820 178.486 -0.666 18091
6526 1 17 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.130 0.400 18091
6527 1 17 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.019 -0.769 18091
6528 1 17 . 1 1 58 58 ILE H H 576 8.300 8.300 8.464 -0.164 18091
6529 1 17 . 1 1 59 59 GLN N N 577 118.000 118.000 118.223 -0.223 18091
6530 1 17 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.763 -0.093 18091
6531 1 17 . 1 1 59 59 GLN C C 577 179.250 179.250 178.441 0.809 18091
6532 1 17 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.262 -0.142 18091
6533 1 17 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.264 -0.424 18091
6534 1 17 . 1 1 59 59 GLN H H 577 8.180 8.180 7.741 0.439 18091
6535 1 17 . 1 1 60 60 THR N N 578 118.670 118.670 116.965 1.705 18091
6536 1 17 . 1 1 60 60 THR HA H 578 3.760 3.760 3.880 -0.120 18091
6537 1 17 . 1 1 60 60 THR C C 578 176.060 176.060 176.475 -0.415 18091
6538 1 17 . 1 1 60 60 THR CA C 578 66.890 66.890 67.190 -0.300 18091
6539 1 17 . 1 1 60 60 THR CB C 578 68.030 68.030 68.605 -0.575 18091
6540 1 17 . 1 1 60 60 THR H H 578 7.780 7.780 7.632 0.148 18091
6541 1 17 . 1 1 61 61 LEU N N 579 120.680 120.680 120.640 0.040 18091
6542 1 17 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.940 -0.090 18091
6543 1 17 . 1 1 61 61 LEU C C 579 179.590 179.590 178.609 0.981 18091
6544 1 17 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.618 0.032 18091
6545 1 17 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.371 -0.391 18091
6546 1 17 . 1 1 61 61 LEU H H 579 7.620 7.620 7.348 0.272 18091
6547 1 17 . 1 1 62 62 ILE N N 580 122.880 122.880 120.393 2.487 18091
6548 1 17 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.690 0.340 18091
6549 1 17 . 1 1 62 62 ILE C C 580 180.260 180.260 178.936 1.324 18091
6550 1 17 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.037 -0.307 18091
6551 1 17 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.672 0.638 18091
6552 1 17 . 1 1 62 62 ILE H H 580 8.540 8.540 7.503 1.037 18091
6553 1 17 . 1 1 63 63 ALA N N 581 124.510 124.510 122.790 1.720 18091
6554 1 17 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.025 -0.055 18091
6555 1 17 . 1 1 63 63 ALA C C 581 179.000 179.000 178.787 0.213 18091
6556 1 17 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091
6557 1 17 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.301 -0.801 18091
6558 1 17 . 1 1 63 63 ALA H H 581 8.120 8.120 8.153 -0.033 18091
6559 1 17 . 1 1 64 64 ALA N N 582 116.250 116.250 118.572 -2.322 18091
6560 1 17 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.241 -0.101 18091
6561 1 17 . 1 1 64 64 ALA C C 582 177.040 177.040 177.719 -0.679 18091
6562 1 17 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.759 0.421 18091
6563 1 17 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.865 0.995 18091
6564 1 17 . 1 1 64 64 ALA H H 582 7.470 7.470 7.479 -0.009 18091
6565 1 17 . 1 1 65 65 GLY N N 583 104.540 104.540 106.259 -1.719 18091
6566 1 17 . 1 1 65 65 GLY C C 583 174.180 174.180 175.024 -0.844 18091
6567 1 17 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.899 -1.109 18091
6568 1 17 . 1 1 65 65 GLY H H 583 7.600 7.600 7.777 -0.177 18091
6569 1 17 . 1 1 66 66 ILE N N 584 118.630 118.630 117.657 0.973 18091
6570 1 17 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.754 0.006 18091
6571 1 17 . 1 1 66 66 ILE C C 584 175.660 175.660 175.420 0.240 18091
6572 1 17 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.473 -0.923 18091
6573 1 17 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.214 -0.604 18091
6574 1 17 . 1 1 66 66 ILE H H 584 7.590 7.590 7.694 -0.104 18091
6575 1 17 . 1 1 67 67 ILE N N 585 116.360 116.360 119.320 -2.960 18091
6576 1 17 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.296 -0.126 18091
6577 1 17 . 1 1 67 67 ILE C C 585 174.370 174.370 174.867 -0.497 18091
6578 1 17 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.058 -0.578 18091
6579 1 17 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.415 -0.785 18091
6580 1 17 . 1 1 67 67 ILE H H 585 6.490 6.490 7.256 -0.766 18091
6581 1 17 . 1 1 68 68 ARG N N 586 125.450 125.450 127.349 -1.899 18091
6582 1 17 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.631 -0.251 18091
6583 1 17 . 1 1 68 68 ARG C C 586 175.720 175.720 176.231 -0.511 18091
6584 1 17 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.770 -0.850 18091
6585 1 17 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.942 0.378 18091
6586 1 17 . 1 1 68 68 ARG H H 586 8.500 8.500 8.640 -0.140 18091
6587 1 17 . 1 1 69 69 THR N N 587 113.710 113.710 115.753 -2.043 18091
6588 1 17 . 1 1 69 69 THR HA H 587 4.300 4.300 4.584 -0.284 18091
6589 1 17 . 1 1 69 69 THR C C 587 174.760 174.760 175.094 -0.334 18091
6590 1 17 . 1 1 69 69 THR CA C 587 61.300 61.300 61.319 -0.019 18091
6591 1 17 . 1 1 69 69 THR CB C 587 69.720 69.720 70.540 -0.819 18091
6592 1 17 . 1 1 69 69 THR H H 587 8.250 8.250 8.351 -0.101 18091
6593 1 17 . 1 1 70 70 GLY N N 588 110.720 110.720 110.059 0.661 18091
6594 1 17 . 1 1 70 70 GLY C C 588 172.820 172.820 173.453 -0.633 18091
6595 1 17 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.281 0.880 18091
6596 1 17 . 1 1 70 70 GLY H H 588 8.230 8.230 8.273 -0.043 18091
6597 1 18 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.390 -0.160 18091
6598 1 18 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.244 0.006 18091
6599 1 18 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.014 -0.054 18091
6600 1 18 . 1 1 3 3 GLY N N 521 109.400 109.400 111.079 -1.679 18091
6601 1 18 . 1 1 3 3 GLY C C 521 174.300 174.300 175.147 -0.847 18091
6602 1 18 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.677 0.503 18091
6603 1 18 . 1 1 3 3 GLY H H 521 8.490 8.490 8.437 0.053 18091
6604 1 18 . 1 1 4 4 THR N N 522 112.480 112.480 111.810 0.670 18091
6605 1 18 . 1 1 4 4 THR HA H 522 4.300 4.300 4.247 0.053 18091
6606 1 18 . 1 1 4 4 THR C C 522 174.690 174.690 175.484 -0.794 18091
6607 1 18 . 1 1 4 4 THR CA C 522 61.240 61.240 62.745 -1.506 18091
6608 1 18 . 1 1 4 4 THR CB C 522 69.960 69.960 69.455 0.505 18091
6609 1 18 . 1 1 4 4 THR H H 522 7.860 7.860 8.036 -0.176 18091
6610 1 18 . 1 1 5 5 SER N N 523 117.450 117.450 117.390 0.060 18091
6611 1 18 . 1 1 5 5 SER HA H 523 3.890 3.890 4.530 -0.640 18091
6612 1 18 . 1 1 5 5 SER C C 523 173.320 173.320 173.750 -0.430 18091
6613 1 18 . 1 1 5 5 SER CA C 523 58.460 58.460 57.951 0.509 18091
6614 1 18 . 1 1 5 5 SER CB C 523 63.690 63.690 63.477 0.213 18091
6615 1 18 . 1 1 5 5 SER H H 523 8.300 8.300 7.868 0.432 18091
6616 1 18 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.855 -0.505 18091
6617 1 18 . 1 1 6 6 ASN C C 524 174.670 174.670 173.927 0.743 18091
6618 1 18 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.815 0.245 18091
6619 1 18 . 1 1 6 6 ASN CB C 524 38.710 38.710 40.160 -1.450 18091
6620 1 18 . 1 1 7 7 GLU N N 525 120.970 120.970 119.182 1.788 18091
6621 1 18 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.035 0.305 18091
6622 1 18 . 1 1 7 7 GLU C C 525 176.900 176.900 174.765 2.135 18091
6623 1 18 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.328 -1.288 18091
6624 1 18 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.642 1.427 18091
6625 1 18 . 1 1 7 7 GLU H H 525 7.970 7.970 8.824 -0.854 18091
6626 1 18 . 1 1 8 8 THR N N 526 116.960 116.960 114.571 2.389 18091
6627 1 18 . 1 1 8 8 THR HA H 526 4.540 4.540 4.795 -0.255 18091
6628 1 18 . 1 1 8 8 THR C C 526 173.410 173.410 173.235 0.175 18091
6629 1 18 . 1 1 8 8 THR CA C 526 60.080 60.080 59.840 0.240 18091
6630 1 18 . 1 1 8 8 THR CB C 526 68.500 68.500 69.503 -1.003 18091
6631 1 18 . 1 1 8 8 THR H H 526 8.630 8.630 8.130 0.500 18091
6632 1 18 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.096 0.094 18091
6633 1 18 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.252 0.858 18091
6634 1 18 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.094 -0.514 18091
6635 1 18 . 1 1 10 10 GLU N N 528 118.610 118.610 117.432 1.178 18091
6636 1 18 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.267 -0.287 18091
6637 1 18 . 1 1 10 10 GLU C C 528 178.550 178.550 178.544 0.006 18091
6638 1 18 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.740 -0.160 18091
6639 1 18 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.357 -0.367 18091
6640 1 18 . 1 1 10 10 GLU H H 528 8.550 8.550 8.941 -0.391 18091
6641 1 18 . 1 1 11 11 GLU N N 529 121.090 121.090 119.336 1.754 18091
6642 1 18 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.080 -0.150 18091
6643 1 18 . 1 1 11 11 GLU C C 529 179.470 179.470 178.729 0.741 18091
6644 1 18 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.149 -0.199 18091
6645 1 18 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.572 -0.092 18091
6646 1 18 . 1 1 11 11 GLU H H 529 7.870 7.870 7.604 0.266 18091
6647 1 18 . 1 1 12 12 THR N N 530 118.050 118.050 116.603 1.447 18091
6648 1 18 . 1 1 12 12 THR HA H 530 3.750 3.750 3.943 -0.193 18091
6649 1 18 . 1 1 12 12 THR C C 530 175.770 175.770 176.612 -0.842 18091
6650 1 18 . 1 1 12 12 THR CA C 530 66.320 66.320 67.338 -1.018 18091
6651 1 18 . 1 1 12 12 THR CB C 530 68.430 68.430 68.555 -0.125 18091
6652 1 18 . 1 1 12 12 THR H H 530 8.390 8.390 7.354 1.036 18091
6653 1 18 . 1 1 13 13 TYR N N 531 122.280 122.280 120.517 1.763 18091
6654 1 18 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.087 -0.267 18091
6655 1 18 . 1 1 13 13 TYR C C 531 176.420 176.420 178.286 -1.866 18091
6656 1 18 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.263 0.177 18091
6657 1 18 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.059 1.051 18091
6658 1 18 . 1 1 13 13 TYR H H 531 8.050 8.050 7.540 0.510 18091
6659 1 18 . 1 1 14 14 GLN N N 532 116.250 116.250 118.122 -1.872 18091
6660 1 18 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.921 -0.231 18091
6661 1 18 . 1 1 14 14 GLN C C 532 178.800 178.800 178.404 0.396 18091
6662 1 18 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.016 -0.396 18091
6663 1 18 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.461 -0.401 18091
6664 1 18 . 1 1 14 14 GLN H H 532 8.010 8.010 7.900 0.110 18091
6665 1 18 . 1 1 15 15 ARG N N 533 118.730 118.730 119.736 -1.006 18091
6666 1 18 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.009 -0.089 18091
6667 1 18 . 1 1 15 15 ARG C C 533 179.030 179.030 178.937 0.093 18091
6668 1 18 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.123 0.017 18091
6669 1 18 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.224 -0.424 18091
6670 1 18 . 1 1 15 15 ARG H H 533 7.800 7.800 7.836 -0.036 18091
6671 1 18 . 1 1 16 16 ALA N N 534 123.500 123.500 121.820 1.680 18091
6672 1 18 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.024 -0.064 18091
6673 1 18 . 1 1 16 16 ALA C C 534 178.860 178.860 179.812 -0.952 18091
6674 1 18 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.957 -0.287 18091
6675 1 18 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.510 0.220 18091
6676 1 18 . 1 1 16 16 ALA H H 534 8.210 8.210 7.935 0.275 18091
6677 1 18 . 1 1 17 17 MET N N 535 111.910 111.910 115.302 -3.392 18091
6678 1 18 . 1 1 17 17 MET HA H 535 4.020 4.020 4.207 -0.187 18091
6679 1 18 . 1 1 17 17 MET C C 535 176.890 176.890 177.508 -0.618 18091
6680 1 18 . 1 1 17 17 MET CA C 535 55.200 55.200 57.243 -2.043 18091
6681 1 18 . 1 1 17 17 MET CB C 535 31.110 31.110 31.764 -0.654 18091
6682 1 18 . 1 1 17 17 MET H H 535 7.480 7.480 8.054 -0.574 18091
6683 1 18 . 1 1 18 18 LYS N N 536 116.840 116.840 116.839 0.001 18091
6684 1 18 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.164 -0.174 18091
6685 1 18 . 1 1 18 18 LYS C C 536 176.690 176.690 176.641 0.049 18091
6686 1 18 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.117 -0.527 18091
6687 1 18 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.511 -0.171 18091
6688 1 18 . 1 1 18 18 LYS H H 536 7.180 7.180 7.276 -0.096 18091
6689 1 18 . 1 1 19 19 ASP N N 537 122.680 122.680 121.187 1.493 18091
6690 1 18 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.903 -0.103 18091
6691 1 18 . 1 1 19 19 ASP C C 537 174.720 174.720 175.799 -1.079 18091
6692 1 18 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.225 -0.135 18091
6693 1 18 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.658 0.312 18091
6694 1 18 . 1 1 19 19 ASP H H 537 7.530 7.530 7.661 -0.131 18091
6695 1 18 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.237 -0.097 18091
6696 1 18 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.720 0.030 18091
6697 1 18 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.203 -0.083 18091
6698 1 18 . 1 1 21 21 GLU N N 539 118.590 118.590 117.965 0.625 18091
6699 1 18 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.052 -0.042 18091
6700 1 18 . 1 1 21 21 GLU C C 539 179.010 179.010 179.040 -0.030 18091
6701 1 18 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.255 -0.405 18091
6702 1 18 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.258 0.082 18091
6703 1 18 . 1 1 21 21 GLU H H 539 8.200 8.200 7.928 0.272 18091
6704 1 18 . 1 1 22 22 VAL N N 540 120.690 120.690 120.099 0.591 18091
6705 1 18 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.646 -0.416 18091
6706 1 18 . 1 1 22 22 VAL C C 540 177.740 177.740 177.921 -0.181 18091
6707 1 18 . 1 1 22 22 VAL CA C 540 66.090 66.090 65.459 0.631 18091
6708 1 18 . 1 1 22 22 VAL CB C 540 31.350 31.350 30.869 0.481 18091
6709 1 18 . 1 1 22 22 VAL H H 540 7.350 7.350 7.713 -0.363 18091
6710 1 18 . 1 1 23 23 ALA N N 541 121.460 121.460 122.616 -1.156 18091
6711 1 18 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.969 -0.199 18091
6712 1 18 . 1 1 23 23 ALA C C 541 179.660 179.660 179.329 0.331 18091
6713 1 18 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.129 0.261 18091
6714 1 18 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.292 -0.582 18091
6715 1 18 . 1 1 23 23 ALA H H 541 8.430 8.430 7.485 0.945 18091
6716 1 18 . 1 1 24 24 ALA N N 542 117.000 117.000 120.986 -3.986 18091
6717 1 18 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.033 -0.093 18091
6718 1 18 . 1 1 24 24 ALA C C 542 180.880 180.880 179.547 1.333 18091
6719 1 18 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.656 0.044 18091
6720 1 18 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.556 -0.606 18091
6721 1 18 . 1 1 24 24 ALA H H 542 7.380 7.380 7.687 -0.307 18091
6722 1 18 . 1 1 25 25 ILE N N 543 119.750 119.750 117.829 1.921 18091
6723 1 18 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.725 -0.035 18091
6724 1 18 . 1 1 25 25 ILE C C 543 177.450 177.450 178.631 -1.181 18091
6725 1 18 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.757 0.203 18091
6726 1 18 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.156 0.124 18091
6727 1 18 . 1 1 25 25 ILE H H 543 7.380 7.380 7.568 -0.188 18091
6728 1 18 . 1 1 26 26 MET N N 544 113.830 113.830 118.157 -4.327 18091
6729 1 18 . 1 1 26 26 MET HA H 544 4.140 4.140 4.079 0.061 18091
6730 1 18 . 1 1 26 26 MET C C 544 177.680 177.680 177.786 -0.106 18091
6731 1 18 . 1 1 26 26 MET CA C 544 55.660 55.660 58.751 -3.091 18091
6732 1 18 . 1 1 26 26 MET CB C 544 30.690 30.690 32.641 -1.951 18091
6733 1 18 . 1 1 26 26 MET H H 544 7.870 7.870 7.756 0.114 18091
6734 1 18 . 1 1 27 27 GLN N N 545 115.210 115.210 115.586 -0.376 18091
6735 1 18 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.292 -0.212 18091
6736 1 18 . 1 1 27 27 GLN C C 545 175.170 175.170 175.586 -0.416 18091
6737 1 18 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.900 -0.460 18091
6738 1 18 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.205 -0.215 18091
6739 1 18 . 1 1 27 27 GLN H H 545 7.340 7.340 7.418 -0.078 18091
6740 1 18 . 1 1 28 28 ASP N N 546 123.270 123.270 119.883 3.387 18091
6741 1 18 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.993 -0.273 18091
6742 1 18 . 1 1 28 28 ASP C C 546 175.220 175.220 175.282 -0.062 18091
6743 1 18 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.631 0.709 18091
6744 1 18 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.510 -0.130 18091
6745 1 18 . 1 1 28 28 ASP H H 546 7.320 7.320 7.740 -0.420 18091
6746 1 18 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.338 -0.218 18091
6747 1 18 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.065 0.855 18091
6748 1 18 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.417 -0.157 18091
6749 1 18 . 1 1 30 30 VAL N N 548 119.870 119.870 120.036 -0.166 18091
6750 1 18 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.665 -0.085 18091
6751 1 18 . 1 1 30 30 VAL C C 548 179.010 179.010 177.900 1.110 18091
6752 1 18 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.353 -0.353 18091
6753 1 18 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.361 -0.251 18091
6754 1 18 . 1 1 30 30 VAL H H 548 8.000 8.000 7.954 0.046 18091
6755 1 18 . 1 1 31 31 MET N N 549 118.270 118.270 117.013 1.257 18091
6756 1 18 . 1 1 31 31 MET HA H 549 4.340 4.340 3.960 0.380 18091
6757 1 18 . 1 1 31 31 MET C C 549 178.830 178.830 178.259 0.571 18091
6758 1 18 . 1 1 31 31 MET CA C 549 55.140 55.140 59.362 -4.222 18091
6759 1 18 . 1 1 31 31 MET CB C 549 28.840 28.840 31.973 -3.133 18091
6760 1 18 . 1 1 31 31 MET H H 549 7.250 7.250 7.547 -0.297 18091
6761 1 18 . 1 1 32 32 GLN N N 550 118.190 118.190 118.353 -0.163 18091
6762 1 18 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.978 -0.238 18091
6763 1 18 . 1 1 32 32 GLN C C 550 178.840 178.840 178.673 0.167 18091
6764 1 18 . 1 1 32 32 GLN CA C 550 59.420 59.420 58.906 0.514 18091
6765 1 18 . 1 1 32 32 GLN CB C 550 27.660 27.660 27.747 -0.087 18091
6766 1 18 . 1 1 32 32 GLN H H 550 8.310 8.310 7.941 0.369 18091
6767 1 18 . 1 1 33 33 SER N N 551 114.010 114.010 115.631 -1.621 18091
6768 1 18 . 1 1 33 33 SER HA H 551 4.140 4.140 4.367 -0.227 18091
6769 1 18 . 1 1 33 33 SER C C 551 176.840 176.840 176.722 0.118 18091
6770 1 18 . 1 1 33 33 SER CA C 551 61.330 61.330 61.367 -0.037 18091
6771 1 18 . 1 1 33 33 SER CB C 551 62.450 62.450 62.963 -0.513 18091
6772 1 18 . 1 1 33 33 SER H H 551 7.570 7.570 7.479 0.091 18091
6773 1 18 . 1 1 34 34 ILE N N 552 123.490 123.490 121.943 1.547 18091
6774 1 18 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.462 -0.182 18091
6775 1 18 . 1 1 34 34 ILE C C 552 177.630 177.630 177.577 0.053 18091
6776 1 18 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.109 0.571 18091
6777 1 18 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.467 0.253 18091
6778 1 18 . 1 1 34 34 ILE H H 552 7.600 7.600 7.605 -0.005 18091
6779 1 18 . 1 1 35 35 LEU N N 553 119.520 119.520 119.548 -0.028 18091
6780 1 18 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.789 -0.039 18091
6781 1 18 . 1 1 35 35 LEU C C 553 179.440 179.440 179.230 0.210 18091
6782 1 18 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.115 -0.165 18091
6783 1 18 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.250 -0.550 18091
6784 1 18 . 1 1 35 35 LEU H H 553 8.330 8.330 7.693 0.637 18091
6785 1 18 . 1 1 36 36 GLN N N 554 118.590 118.590 117.589 1.001 18091
6786 1 18 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.878 0.042 18091
6787 1 18 . 1 1 36 36 GLN C C 554 178.560 178.560 178.793 -0.233 18091
6788 1 18 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.173 -0.513 18091
6789 1 18 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.434 -0.374 18091
6790 1 18 . 1 1 36 36 GLN H H 554 7.800 7.800 7.774 0.026 18091
6791 1 18 . 1 1 37 37 GLN N N 555 119.520 119.520 119.023 0.497 18091
6792 1 18 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.043 -0.113 18091
6793 1 18 . 1 1 37 37 GLN C C 555 178.400 178.400 178.636 -0.236 18091
6794 1 18 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.744 -0.214 18091
6795 1 18 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.759 0.031 18091
6796 1 18 . 1 1 37 37 GLN H H 555 7.990 7.990 8.033 -0.043 18091
6797 1 18 . 1 1 38 38 ALA N N 556 120.730 120.730 120.934 -0.204 18091
6798 1 18 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.288 -0.178 18091
6799 1 18 . 1 1 38 38 ALA C C 556 178.310 178.310 179.837 -1.527 18091
6800 1 18 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.704 -1.204 18091
6801 1 18 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.325 0.045 18091
6802 1 18 . 1 1 38 38 ALA H H 556 8.310 8.310 8.214 0.096 18091
6803 1 18 . 1 1 39 39 GLN N N 557 115.600 115.600 118.411 -2.811 18091
6804 1 18 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.033 -0.073 18091
6805 1 18 . 1 1 39 39 GLN C C 557 177.260 177.260 178.421 -1.161 18091
6806 1 18 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.277 -0.357 18091
6807 1 18 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.654 -0.174 18091
6808 1 18 . 1 1 39 39 GLN H H 557 7.530 7.530 7.758 -0.228 18091
6809 1 18 . 1 1 40 40 GLN N N 558 115.310 115.310 116.486 -1.176 18091
6810 1 18 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.210 -0.030 18091
6811 1 18 . 1 1 40 40 GLN C C 558 176.030 176.030 176.131 -0.101 18091
6812 1 18 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.438 -0.888 18091
6813 1 18 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.979 -0.659 18091
6814 1 18 . 1 1 40 40 GLN H H 558 7.350 7.350 7.629 -0.279 18091
6815 1 18 . 1 1 41 41 ASN N N 559 114.850 114.850 115.870 -1.020 18091
6816 1 18 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.042 -0.092 18091
6817 1 18 . 1 1 41 41 ASN C C 559 172.420 172.420 173.519 -1.099 18091
6818 1 18 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.453 -1.023 18091
6819 1 18 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.987 -2.107 18091
6820 1 18 . 1 1 41 41 ASN H H 559 7.900 7.900 7.987 -0.087 18091
6821 1 18 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.536 -0.206 18091
6822 1 18 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.795 0.205 18091
6823 1 18 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.189 -0.509 18091
6824 1 18 . 1 1 43 43 ALA N N 561 119.920 119.920 120.447 -0.527 18091
6825 1 18 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.129 0.001 18091
6826 1 18 . 1 1 43 43 ALA C C 561 179.510 179.510 179.186 0.324 18091
6827 1 18 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.485 -0.435 18091
6828 1 18 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.112 -0.062 18091
6829 1 18 . 1 1 43 43 ALA H H 561 7.850 7.850 7.622 0.228 18091
6830 1 18 . 1 1 44 44 ALA N N 562 120.790 120.790 121.172 -0.382 18091
6831 1 18 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.044 -0.024 18091
6832 1 18 . 1 1 44 44 ALA C C 562 179.570 179.570 179.957 -0.387 18091
6833 1 18 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.073 -0.953 18091
6834 1 18 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.713 -0.513 18091
6835 1 18 . 1 1 44 44 ALA H H 562 7.980 7.980 7.845 0.135 18091
6836 1 18 . 1 1 45 45 LEU N N 563 116.420 116.420 116.721 -0.301 18091
6837 1 18 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.392 -0.412 18091
6838 1 18 . 1 1 45 45 LEU C C 563 178.220 178.220 178.667 -0.447 18091
6839 1 18 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.208 0.432 18091
6840 1 18 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.775 0.915 18091
6841 1 18 . 1 1 45 45 LEU H H 563 7.510 7.510 7.621 -0.111 18091
6842 1 18 . 1 1 46 46 GLN N N 564 115.510 115.510 120.627 -5.117 18091
6843 1 18 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.959 -0.099 18091
6844 1 18 . 1 1 46 46 GLN C C 564 178.300 178.300 178.002 0.298 18091
6845 1 18 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.307 -0.587 18091
6846 1 18 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.559 -0.539 18091
6847 1 18 . 1 1 46 46 GLN H H 564 7.510 7.510 7.655 -0.145 18091
6848 1 18 . 1 1 47 47 GLU N N 565 117.680 117.680 118.161 -0.481 18091
6849 1 18 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.954 -0.054 18091
6850 1 18 . 1 1 47 47 GLU C C 565 179.070 179.070 179.076 -0.006 18091
6851 1 18 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.016 -0.636 18091
6852 1 18 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.957 0.033 18091
6853 1 18 . 1 1 47 47 GLU H H 565 7.440 7.440 7.864 -0.424 18091
6854 1 18 . 1 1 48 48 HIS N N 566 118.220 118.220 119.688 -1.468 18091
6855 1 18 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.299 0.081 18091
6856 1 18 . 1 1 48 48 HIS C C 566 177.280 177.280 176.812 0.468 18091
6857 1 18 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.251 -0.391 18091
6858 1 18 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.756 1.684 18091
6859 1 18 . 1 1 48 48 HIS H H 566 7.420 7.420 7.508 -0.088 18091
6860 1 18 . 1 1 49 49 MET N N 567 115.200 115.200 117.157 -1.957 18091
6861 1 18 . 1 1 49 49 MET HA H 567 3.840 3.840 4.271 -0.431 18091
6862 1 18 . 1 1 49 49 MET C C 567 175.260 175.260 178.035 -2.775 18091
6863 1 18 . 1 1 49 49 MET CA C 567 57.840 57.840 58.728 -0.888 18091
6864 1 18 . 1 1 49 49 MET CB C 567 33.080 33.080 32.932 0.148 18091
6865 1 18 . 1 1 49 49 MET H H 567 7.710 7.710 7.798 -0.088 18091
6866 1 18 . 1 1 50 50 LYS N N 568 116.040 116.040 116.439 -0.399 18091
6867 1 18 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.040 -0.080 18091
6868 1 18 . 1 1 50 50 LYS C C 568 176.220 176.220 177.312 -1.092 18091
6869 1 18 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.573 -0.183 18091
6870 1 18 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.519 -0.299 18091
6871 1 18 . 1 1 50 50 LYS H H 568 7.140 7.140 7.550 -0.410 18091
6872 1 18 . 1 1 51 51 ASN N N 569 119.600 119.600 119.377 0.223 18091
6873 1 18 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.732 0.288 18091
6874 1 18 . 1 1 51 51 ASN C C 569 173.920 173.920 175.138 -1.218 18091
6875 1 18 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.440 -2.490 18091
6876 1 18 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.995 -0.994 18091
6877 1 18 . 1 1 51 51 ASN H H 569 7.480 7.480 7.819 -0.339 18091
6878 1 18 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.327 -0.067 18091
6879 1 18 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.838 -0.728 18091
6880 1 18 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.172 0.098 18091
6881 1 18 . 1 1 53 53 GLU N N 571 116.870 116.870 118.303 -1.433 18091
6882 1 18 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.176 -0.106 18091
6883 1 18 . 1 1 53 53 GLU C C 571 178.830 178.830 179.032 -0.202 18091
6884 1 18 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.299 -0.419 18091
6885 1 18 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.658 -0.228 18091
6886 1 18 . 1 1 53 53 GLU H H 571 7.960 7.960 8.260 -0.300 18091
6887 1 18 . 1 1 54 54 VAL N N 572 118.290 118.290 119.362 -1.072 18091
6888 1 18 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.818 -0.158 18091
6889 1 18 . 1 1 54 54 VAL C C 572 177.620 177.620 177.889 -0.269 18091
6890 1 18 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.960 -0.860 18091
6891 1 18 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.506 0.704 18091
6892 1 18 . 1 1 54 54 VAL H H 572 7.330 7.330 7.775 -0.445 18091
6893 1 18 . 1 1 55 55 PHE N N 573 121.090 121.090 121.998 -0.908 18091
6894 1 18 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.155 -0.265 18091
6895 1 18 . 1 1 55 55 PHE C C 573 176.760 176.760 177.053 -0.293 18091
6896 1 18 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.706 0.524 18091
6897 1 18 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.855 -0.235 18091
6898 1 18 . 1 1 55 55 PHE H H 573 8.700 8.700 8.886 -0.186 18091
6899 1 18 . 1 1 56 56 LYS N N 574 116.910 116.910 119.565 -2.655 18091
6900 1 18 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.698 0.092 18091
6901 1 18 . 1 1 56 56 LYS C C 574 178.980 178.980 178.766 0.214 18091
6902 1 18 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.450 0.030 18091
6903 1 18 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.433 -0.233 18091
6904 1 18 . 1 1 56 56 LYS H H 574 7.800 7.800 7.748 0.052 18091
6905 1 18 . 1 1 57 57 LYS N N 575 119.120 119.120 119.170 -0.050 18091
6906 1 18 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.992 -0.082 18091
6907 1 18 . 1 1 57 57 LYS C C 575 178.520 178.520 179.063 -0.543 18091
6908 1 18 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.606 0.344 18091
6909 1 18 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.392 0.668 18091
6910 1 18 . 1 1 57 57 LYS H H 575 7.170 7.170 7.310 -0.140 18091
6911 1 18 . 1 1 58 58 ILE N N 576 119.180 119.180 119.050 0.130 18091
6912 1 18 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.749 -0.429 18091
6913 1 18 . 1 1 58 58 ILE C C 576 177.820 177.820 178.252 -0.432 18091
6914 1 18 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.846 0.684 18091
6915 1 18 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.860 -0.610 18091
6916 1 18 . 1 1 58 58 ILE H H 576 8.300 8.300 8.487 -0.187 18091
6917 1 18 . 1 1 59 59 GLN N N 577 118.000 118.000 118.603 -0.603 18091
6918 1 18 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.857 -0.187 18091
6919 1 18 . 1 1 59 59 GLN C C 577 179.250 179.250 178.599 0.651 18091
6920 1 18 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.077 0.043 18091
6921 1 18 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.301 -0.461 18091
6922 1 18 . 1 1 59 59 GLN H H 577 8.180 8.180 7.755 0.425 18091
6923 1 18 . 1 1 60 60 THR N N 578 118.670 118.670 116.831 1.839 18091
6924 1 18 . 1 1 60 60 THR HA H 578 3.760 3.760 3.971 -0.211 18091
6925 1 18 . 1 1 60 60 THR C C 578 176.060 176.060 176.553 -0.493 18091
6926 1 18 . 1 1 60 60 THR CA C 578 66.890 66.890 66.656 0.234 18091
6927 1 18 . 1 1 60 60 THR CB C 578 68.030 68.030 68.327 -0.297 18091
6928 1 18 . 1 1 60 60 THR H H 578 7.780 7.780 7.636 0.144 18091
6929 1 18 . 1 1 61 61 LEU N N 579 120.680 120.680 120.694 -0.014 18091
6930 1 18 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.076 -0.226 18091
6931 1 18 . 1 1 61 61 LEU C C 579 179.590 179.590 178.742 0.848 18091
6932 1 18 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.714 -0.064 18091
6933 1 18 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.519 -0.539 18091
6934 1 18 . 1 1 61 61 LEU H H 579 7.620 7.620 7.408 0.212 18091
6935 1 18 . 1 1 62 62 ILE N N 580 122.880 122.880 120.742 2.138 18091
6936 1 18 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.908 0.122 18091
6937 1 18 . 1 1 62 62 ILE C C 580 180.260 180.260 179.092 1.168 18091
6938 1 18 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.998 -0.268 18091
6939 1 18 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.711 0.599 18091
6940 1 18 . 1 1 62 62 ILE H H 580 8.540 8.540 7.683 0.857 18091
6941 1 18 . 1 1 63 63 ALA N N 581 124.510 124.510 123.105 1.405 18091
6942 1 18 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.037 -0.067 18091
6943 1 18 . 1 1 63 63 ALA C C 581 179.000 179.000 178.697 0.303 18091
6944 1 18 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.794 0.046 18091
6945 1 18 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.303 -0.803 18091
6946 1 18 . 1 1 63 63 ALA H H 581 8.120 8.120 8.058 0.062 18091
6947 1 18 . 1 1 64 64 ALA N N 582 116.250 116.250 118.364 -2.114 18091
6948 1 18 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.274 -0.134 18091
6949 1 18 . 1 1 64 64 ALA C C 582 177.040 177.040 177.801 -0.761 18091
6950 1 18 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.735 0.445 18091
6951 1 18 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.989 0.871 18091
6952 1 18 . 1 1 64 64 ALA H H 582 7.470 7.470 7.510 -0.040 18091
6953 1 18 . 1 1 65 65 GLY N N 583 104.540 104.540 106.985 -2.445 18091
6954 1 18 . 1 1 65 65 GLY C C 583 174.180 174.180 175.050 -0.870 18091
6955 1 18 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.156 -1.366 18091
6956 1 18 . 1 1 65 65 GLY H H 583 7.600 7.600 7.782 -0.182 18091
6957 1 18 . 1 1 66 66 ILE N N 584 118.630 118.630 117.892 0.738 18091
6958 1 18 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.983 -0.224 18091
6959 1 18 . 1 1 66 66 ILE C C 584 175.660 175.660 175.668 -0.008 18091
6960 1 18 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.245 -0.695 18091
6961 1 18 . 1 1 66 66 ILE CB C 584 37.610 37.610 39.195 -1.585 18091
6962 1 18 . 1 1 66 66 ILE H H 584 7.590 7.590 8.071 -0.481 18091
6963 1 18 . 1 1 67 67 ILE N N 585 116.360 116.360 118.855 -2.495 18091
6964 1 18 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.348 -0.178 18091
6965 1 18 . 1 1 67 67 ILE C C 585 174.370 174.370 174.862 -0.492 18091
6966 1 18 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.156 -0.676 18091
6967 1 18 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.040 -1.410 18091
6968 1 18 . 1 1 67 67 ILE H H 585 6.490 6.490 7.340 -0.850 18091
6969 1 18 . 1 1 68 68 ARG N N 586 125.450 125.450 124.011 1.439 18091
6970 1 18 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.019 0.361 18091
6971 1 18 . 1 1 68 68 ARG C C 586 175.720 175.720 174.793 0.927 18091
6972 1 18 . 1 1 68 68 ARG CA C 586 54.920 54.920 57.115 -2.195 18091
6973 1 18 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.337 2.983 18091
6974 1 18 . 1 1 68 68 ARG H H 586 8.500 8.500 8.932 -0.432 18091
6975 1 18 . 1 1 69 69 THR N N 587 113.710 113.710 111.103 2.607 18091
6976 1 18 . 1 1 69 69 THR HA H 587 4.300 4.300 4.418 -0.118 18091
6977 1 18 . 1 1 69 69 THR C C 587 174.760 174.760 174.387 0.373 18091
6978 1 18 . 1 1 69 69 THR CA C 587 61.300 61.300 60.369 0.931 18091
6979 1 18 . 1 1 69 69 THR CB C 587 69.720 69.720 71.053 -1.333 18091
6980 1 18 . 1 1 69 69 THR H H 587 8.250 8.250 7.805 0.445 18091
6981 1 18 . 1 1 70 70 GLY N N 588 110.720 110.720 112.159 -1.439 18091
6982 1 18 . 1 1 70 70 GLY C C 588 172.820 172.820 173.714 -0.894 18091
6983 1 18 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.787 0.373 18091
6984 1 18 . 1 1 70 70 GLY H H 588 8.230 8.230 8.537 -0.307 18091
6985 1 19 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.447 -0.217 18091
6986 1 19 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.313 -0.063 18091
6987 1 19 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.322 -0.362 18091
6988 1 19 . 1 1 3 3 GLY N N 521 109.400 109.400 108.955 0.445 18091
6989 1 19 . 1 1 3 3 GLY C C 521 174.300 174.300 173.609 0.691 18091
6990 1 19 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.740 0.440 18091
6991 1 19 . 1 1 3 3 GLY H H 521 8.490 8.490 8.447 0.043 18091
6992 1 19 . 1 1 4 4 THR N N 522 112.480 112.480 111.682 0.798 18091
6993 1 19 . 1 1 4 4 THR HA H 522 4.300 4.300 4.516 -0.216 18091
6994 1 19 . 1 1 4 4 THR C C 522 174.690 174.690 173.249 1.441 18091
6995 1 19 . 1 1 4 4 THR CA C 522 61.240 61.240 60.212 1.028 18091
6996 1 19 . 1 1 4 4 THR CB C 522 69.960 69.960 71.432 -1.472 18091
6997 1 19 . 1 1 4 4 THR H H 522 7.860 7.860 7.624 0.236 18091
6998 1 19 . 1 1 5 5 SER N N 523 117.450 117.450 117.804 -0.354 18091
6999 1 19 . 1 1 5 5 SER HA H 523 3.890 3.890 4.581 -0.691 18091
7000 1 19 . 1 1 5 5 SER C C 523 173.320 173.320 173.508 -0.188 18091
7001 1 19 . 1 1 5 5 SER CA C 523 58.460 58.460 57.804 0.656 18091
7002 1 19 . 1 1 5 5 SER CB C 523 63.690 63.690 63.176 0.514 18091
7003 1 19 . 1 1 5 5 SER H H 523 8.300 8.300 8.544 -0.244 18091
7004 1 19 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.855 -0.505 18091
7005 1 19 . 1 1 6 6 ASN C C 524 174.670 174.670 173.373 1.297 18091
7006 1 19 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.128 -1.068 18091
7007 1 19 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.337 -0.627 18091
7008 1 19 . 1 1 7 7 GLU N N 525 120.970 120.970 123.304 -2.334 18091
7009 1 19 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.732 -0.392 18091
7010 1 19 . 1 1 7 7 GLU C C 525 176.900 176.900 175.407 1.493 18091
7011 1 19 . 1 1 7 7 GLU CA C 525 56.040 56.040 54.588 1.452 18091
7012 1 19 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.843 -1.773 18091
7013 1 19 . 1 1 7 7 GLU H H 525 7.970 7.970 9.070 -1.100 18091
7014 1 19 . 1 1 8 8 THR N N 526 116.960 116.960 112.597 4.363 18091
7015 1 19 . 1 1 8 8 THR HA H 526 4.540 4.540 4.435 0.105 18091
7016 1 19 . 1 1 8 8 THR C C 526 173.410 173.410 174.866 -1.456 18091
7017 1 19 . 1 1 8 8 THR CA C 526 60.080 60.080 60.800 -0.720 18091
7018 1 19 . 1 1 8 8 THR CB C 526 68.500 68.500 68.459 0.041 18091
7019 1 19 . 1 1 8 8 THR H H 526 8.630 8.630 8.273 0.357 18091
7020 1 19 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.179 0.011 18091
7021 1 19 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.165 -0.055 18091
7022 1 19 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.825 -0.245 18091
7023 1 19 . 1 1 10 10 GLU N N 528 118.610 118.610 118.231 0.379 18091
7024 1 19 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.020 -0.040 18091
7025 1 19 . 1 1 10 10 GLU C C 528 178.550 178.550 178.556 -0.006 18091
7026 1 19 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.512 0.068 18091
7027 1 19 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.261 -0.271 18091
7028 1 19 . 1 1 10 10 GLU H H 528 8.550 8.550 8.737 -0.187 18091
7029 1 19 . 1 1 11 11 GLU N N 529 121.090 121.090 118.834 2.256 18091
7030 1 19 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.097 -0.167 18091
7031 1 19 . 1 1 11 11 GLU C C 529 179.470 179.470 178.775 0.695 18091
7032 1 19 . 1 1 11 11 GLU CA C 529 58.950 58.950 60.078 -1.128 18091
7033 1 19 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.623 -0.144 18091
7034 1 19 . 1 1 11 11 GLU H H 529 7.870 7.870 8.693 -0.823 18091
7035 1 19 . 1 1 12 12 THR N N 530 118.050 118.050 116.639 1.411 18091
7036 1 19 . 1 1 12 12 THR HA H 530 3.750 3.750 3.998 -0.248 18091
7037 1 19 . 1 1 12 12 THR C C 530 175.770 175.770 176.195 -0.425 18091
7038 1 19 . 1 1 12 12 THR CA C 530 66.320 66.320 67.025 -0.705 18091
7039 1 19 . 1 1 12 12 THR CB C 530 68.430 68.430 68.729 -0.299 18091
7040 1 19 . 1 1 12 12 THR H H 530 8.390 8.390 7.378 1.012 18091
7041 1 19 . 1 1 13 13 TYR N N 531 122.280 122.280 122.522 -0.242 18091
7042 1 19 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.983 -0.163 18091
7043 1 19 . 1 1 13 13 TYR C C 531 176.420 176.420 177.512 -1.092 18091
7044 1 19 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.237 -0.797 18091
7045 1 19 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.379 -0.269 18091
7046 1 19 . 1 1 13 13 TYR H H 531 8.050 8.050 7.967 0.083 18091
7047 1 19 . 1 1 14 14 GLN N N 532 116.250 116.250 117.743 -1.493 18091
7048 1 19 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.937 -0.247 18091
7049 1 19 . 1 1 14 14 GLN C C 532 178.800 178.800 178.629 0.171 18091
7050 1 19 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.170 -0.550 18091
7051 1 19 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.582 -0.522 18091
7052 1 19 . 1 1 14 14 GLN H H 532 8.010 8.010 7.861 0.149 18091
7053 1 19 . 1 1 15 15 ARG N N 533 118.730 118.730 118.674 0.056 18091
7054 1 19 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.042 -0.122 18091
7055 1 19 . 1 1 15 15 ARG C C 533 179.030 179.030 178.888 0.142 18091
7056 1 19 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.483 0.657 18091
7057 1 19 . 1 1 15 15 ARG CB C 533 29.800 29.800 29.644 0.156 18091
7058 1 19 . 1 1 15 15 ARG H H 533 7.800 7.800 7.860 -0.060 18091
7059 1 19 . 1 1 16 16 ALA N N 534 123.500 123.500 122.293 1.207 18091
7060 1 19 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.084 -0.124 18091
7061 1 19 . 1 1 16 16 ALA C C 534 178.860 178.860 179.987 -1.127 18091
7062 1 19 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.532 0.138 18091
7063 1 19 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.078 0.652 18091
7064 1 19 . 1 1 16 16 ALA H H 534 8.210 8.210 8.075 0.135 18091
7065 1 19 . 1 1 17 17 MET N N 535 111.910 111.910 116.293 -4.383 18091
7066 1 19 . 1 1 17 17 MET HA H 535 4.020 4.020 4.033 -0.013 18091
7067 1 19 . 1 1 17 17 MET C C 535 176.890 176.890 177.221 -0.331 18091
7068 1 19 . 1 1 17 17 MET CA C 535 55.200 55.200 57.393 -2.193 18091
7069 1 19 . 1 1 17 17 MET CB C 535 31.110 31.110 32.432 -1.322 18091
7070 1 19 . 1 1 17 17 MET H H 535 7.480 7.480 7.779 -0.299 18091
7071 1 19 . 1 1 18 18 LYS N N 536 116.840 116.840 117.316 -0.476 18091
7072 1 19 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.154 -0.164 18091
7073 1 19 . 1 1 18 18 LYS C C 536 176.690 176.690 176.297 0.393 18091
7074 1 19 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.809 -0.219 18091
7075 1 19 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.467 -0.127 18091
7076 1 19 . 1 1 18 18 LYS H H 536 7.180 7.180 7.263 -0.083 18091
7077 1 19 . 1 1 19 19 ASP N N 537 122.680 122.680 121.432 1.248 18091
7078 1 19 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.838 -0.038 18091
7079 1 19 . 1 1 19 19 ASP C C 537 174.720 174.720 175.569 -0.849 18091
7080 1 19 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.924 0.166 18091
7081 1 19 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.324 0.646 18091
7082 1 19 . 1 1 19 19 ASP H H 537 7.530 7.530 7.657 -0.127 18091
7083 1 19 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.188 -0.048 18091
7084 1 19 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.140 -0.390 18091
7085 1 19 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.179 -0.059 18091
7086 1 19 . 1 1 21 21 GLU N N 539 118.590 118.590 118.491 0.099 18091
7087 1 19 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.058 -0.048 18091
7088 1 19 . 1 1 21 21 GLU C C 539 179.010 179.010 179.160 -0.150 18091
7089 1 19 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.119 -0.269 18091
7090 1 19 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.194 0.146 18091
7091 1 19 . 1 1 21 21 GLU H H 539 8.200 8.200 7.930 0.270 18091
7092 1 19 . 1 1 22 22 VAL N N 540 120.690 120.690 120.585 0.105 18091
7093 1 19 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.500 -0.270 18091
7094 1 19 . 1 1 22 22 VAL C C 540 177.740 177.740 177.655 0.085 18091
7095 1 19 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.312 -0.222 18091
7096 1 19 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.498 -0.148 18091
7097 1 19 . 1 1 22 22 VAL H H 540 7.350 7.350 7.565 -0.215 18091
7098 1 19 . 1 1 23 23 ALA N N 541 121.460 121.460 121.940 -0.480 18091
7099 1 19 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.874 -0.104 18091
7100 1 19 . 1 1 23 23 ALA C C 541 179.660 179.660 179.079 0.581 18091
7101 1 19 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.099 0.291 18091
7102 1 19 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.083 -0.373 18091
7103 1 19 . 1 1 23 23 ALA H H 541 8.430 8.430 7.621 0.809 18091
7104 1 19 . 1 1 24 24 ALA N N 542 117.000 117.000 120.872 -3.872 18091
7105 1 19 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.020 -0.080 18091
7106 1 19 . 1 1 24 24 ALA C C 542 180.880 180.880 179.535 1.345 18091
7107 1 19 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.634 0.066 18091
7108 1 19 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.550 -0.600 18091
7109 1 19 . 1 1 24 24 ALA H H 542 7.380 7.380 7.656 -0.276 18091
7110 1 19 . 1 1 25 25 ILE N N 543 119.750 119.750 118.430 1.320 18091
7111 1 19 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.639 0.051 18091
7112 1 19 . 1 1 25 25 ILE C C 543 177.450 177.450 178.560 -1.110 18091
7113 1 19 . 1 1 25 25 ILE CA C 543 64.960 64.960 65.082 -0.122 18091
7114 1 19 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.097 0.183 18091
7115 1 19 . 1 1 25 25 ILE H H 543 7.380 7.380 7.475 -0.095 18091
7116 1 19 . 1 1 26 26 MET N N 544 113.830 113.830 117.427 -3.597 18091
7117 1 19 . 1 1 26 26 MET HA H 544 4.140 4.140 4.099 0.041 18091
7118 1 19 . 1 1 26 26 MET C C 544 177.680 177.680 177.900 -0.220 18091
7119 1 19 . 1 1 26 26 MET CA C 544 55.660 55.660 58.696 -3.036 18091
7120 1 19 . 1 1 26 26 MET CB C 544 30.690 30.690 32.490 -1.800 18091
7121 1 19 . 1 1 26 26 MET H H 544 7.870 7.870 7.846 0.024 18091
7122 1 19 . 1 1 27 27 GLN N N 545 115.210 115.210 115.809 -0.599 18091
7123 1 19 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.304 -0.224 18091
7124 1 19 . 1 1 27 27 GLN C C 545 175.170 175.170 175.737 -0.567 18091
7125 1 19 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.963 -0.523 18091
7126 1 19 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.188 -0.198 18091
7127 1 19 . 1 1 27 27 GLN H H 545 7.340 7.340 7.410 -0.070 18091
7128 1 19 . 1 1 28 28 ASP N N 546 123.270 123.270 120.057 3.213 18091
7129 1 19 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.990 -0.270 18091
7130 1 19 . 1 1 28 28 ASP C C 546 175.220 175.220 175.363 -0.143 18091
7131 1 19 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.724 0.616 18091
7132 1 19 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.395 -0.015 18091
7133 1 19 . 1 1 28 28 ASP H H 546 7.320 7.320 7.925 -0.605 18091
7134 1 19 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.365 -0.245 18091
7135 1 19 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.949 0.971 18091
7136 1 19 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.549 -0.289 18091
7137 1 19 . 1 1 30 30 VAL N N 548 119.870 119.870 119.489 0.381 18091
7138 1 19 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.592 -0.012 18091
7139 1 19 . 1 1 30 30 VAL C C 548 179.010 179.010 177.852 1.158 18091
7140 1 19 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.307 -0.307 18091
7141 1 19 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.677 -0.567 18091
7142 1 19 . 1 1 30 30 VAL H H 548 8.000 8.000 7.828 0.172 18091
7143 1 19 . 1 1 31 31 MET N N 549 118.270 118.270 116.656 1.614 18091
7144 1 19 . 1 1 31 31 MET HA H 549 4.340 4.340 3.960 0.380 18091
7145 1 19 . 1 1 31 31 MET C C 549 178.830 178.830 178.214 0.616 18091
7146 1 19 . 1 1 31 31 MET CA C 549 55.140 55.140 58.887 -3.747 18091
7147 1 19 . 1 1 31 31 MET CB C 549 28.840 28.840 32.119 -3.279 18091
7148 1 19 . 1 1 31 31 MET H H 549 7.250 7.250 7.481 -0.231 18091
7149 1 19 . 1 1 32 32 GLN N N 550 118.190 118.190 119.335 -1.145 18091
7150 1 19 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.984 -0.244 18091
7151 1 19 . 1 1 32 32 GLN C C 550 178.840 178.840 178.130 0.710 18091
7152 1 19 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.110 0.310 18091
7153 1 19 . 1 1 32 32 GLN CB C 550 27.660 27.660 27.919 -0.259 18091
7154 1 19 . 1 1 32 32 GLN H H 550 8.310 8.310 7.898 0.412 18091
7155 1 19 . 1 1 33 33 SER N N 551 114.010 114.010 115.524 -1.514 18091
7156 1 19 . 1 1 33 33 SER HA H 551 4.140 4.140 4.163 -0.023 18091
7157 1 19 . 1 1 33 33 SER C C 551 176.840 176.840 176.752 0.088 18091
7158 1 19 . 1 1 33 33 SER CA C 551 61.330 61.330 61.616 -0.286 18091
7159 1 19 . 1 1 33 33 SER CB C 551 62.450 62.450 62.834 -0.384 18091
7160 1 19 . 1 1 33 33 SER H H 551 7.570 7.570 7.475 0.095 18091
7161 1 19 . 1 1 34 34 ILE N N 552 123.490 123.490 122.258 1.232 18091
7162 1 19 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.500 -0.220 18091
7163 1 19 . 1 1 34 34 ILE C C 552 177.630 177.630 177.897 -0.267 18091
7164 1 19 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.346 0.334 18091
7165 1 19 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.559 0.161 18091
7166 1 19 . 1 1 34 34 ILE H H 552 7.600 7.600 7.522 0.078 18091
7167 1 19 . 1 1 35 35 LEU N N 553 119.520 119.520 119.506 0.014 18091
7168 1 19 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.800 -0.050 18091
7169 1 19 . 1 1 35 35 LEU C C 553 179.440 179.440 179.250 0.190 18091
7170 1 19 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.112 -0.162 18091
7171 1 19 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.261 -0.561 18091
7172 1 19 . 1 1 35 35 LEU H H 553 8.330 8.330 7.810 0.520 18091
7173 1 19 . 1 1 36 36 GLN N N 554 118.590 118.590 117.862 0.728 18091
7174 1 19 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.082 -0.162 18091
7175 1 19 . 1 1 36 36 GLN C C 554 178.560 178.560 178.896 -0.336 18091
7176 1 19 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.840 -0.180 18091
7177 1 19 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.513 -0.453 18091
7178 1 19 . 1 1 36 36 GLN H H 554 7.800 7.800 7.829 -0.029 18091
7179 1 19 . 1 1 37 37 GLN N N 555 119.520 119.520 119.446 0.074 18091
7180 1 19 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.025 -0.095 18091
7181 1 19 . 1 1 37 37 GLN C C 555 178.400 178.400 178.371 0.029 18091
7182 1 19 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.665 -0.135 18091
7183 1 19 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.764 0.026 18091
7184 1 19 . 1 1 37 37 GLN H H 555 7.990 7.990 7.965 0.025 18091
7185 1 19 . 1 1 38 38 ALA N N 556 120.730 120.730 120.867 -0.137 18091
7186 1 19 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.395 -0.285 18091
7187 1 19 . 1 1 38 38 ALA C C 556 178.310 178.310 179.705 -1.395 18091
7188 1 19 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.757 -1.257 18091
7189 1 19 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.410 -0.040 18091
7190 1 19 . 1 1 38 38 ALA H H 556 8.310 8.310 8.102 0.208 18091
7191 1 19 . 1 1 39 39 GLN N N 557 115.600 115.600 117.402 -1.802 18091
7192 1 19 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.000 -0.040 18091
7193 1 19 . 1 1 39 39 GLN C C 557 177.260 177.260 178.686 -1.426 18091
7194 1 19 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.280 -0.360 18091
7195 1 19 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.590 -0.111 18091
7196 1 19 . 1 1 39 39 GLN H H 557 7.530 7.530 7.736 -0.206 18091
7197 1 19 . 1 1 40 40 GLN N N 558 115.310 115.310 117.038 -1.728 18091
7198 1 19 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091
7199 1 19 . 1 1 40 40 GLN C C 558 176.030 176.030 176.334 -0.304 18091
7200 1 19 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.657 -1.107 18091
7201 1 19 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.796 -0.475 18091
7202 1 19 . 1 1 40 40 GLN H H 558 7.350 7.350 7.568 -0.218 18091
7203 1 19 . 1 1 41 41 ASN N N 559 114.850 114.850 114.674 0.176 18091
7204 1 19 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.052 -0.102 18091
7205 1 19 . 1 1 41 41 ASN C C 559 172.420 172.420 173.229 -0.809 18091
7206 1 19 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.578 -1.148 18091
7207 1 19 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.106 -2.227 18091
7208 1 19 . 1 1 41 41 ASN H H 559 7.900 7.900 7.822 0.078 18091
7209 1 19 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.562 -0.232 18091
7210 1 19 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.888 0.112 18091
7211 1 19 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.178 -0.498 18091
7212 1 19 . 1 1 43 43 ALA N N 561 119.920 119.920 120.066 -0.146 18091
7213 1 19 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.152 -0.022 18091
7214 1 19 . 1 1 43 43 ALA C C 561 179.510 179.510 179.078 0.432 18091
7215 1 19 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.264 -0.214 18091
7216 1 19 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.165 -0.115 18091
7217 1 19 . 1 1 43 43 ALA H H 561 7.850 7.850 7.655 0.195 18091
7218 1 19 . 1 1 44 44 ALA N N 562 120.790 120.790 121.536 -0.746 18091
7219 1 19 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.101 -0.081 18091
7220 1 19 . 1 1 44 44 ALA C C 562 179.570 179.570 179.969 -0.399 18091
7221 1 19 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.256 -1.136 18091
7222 1 19 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.444 -0.243 18091
7223 1 19 . 1 1 44 44 ALA H H 562 7.980 7.980 7.848 0.132 18091
7224 1 19 . 1 1 45 45 LEU N N 563 116.420 116.420 117.015 -0.595 18091
7225 1 19 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.429 -0.449 18091
7226 1 19 . 1 1 45 45 LEU C C 563 178.220 178.220 178.606 -0.386 18091
7227 1 19 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.703 0.937 18091
7228 1 19 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.441 1.249 18091
7229 1 19 . 1 1 45 45 LEU H H 563 7.510 7.510 7.778 -0.268 18091
7230 1 19 . 1 1 46 46 GLN N N 564 115.510 115.510 120.738 -5.228 18091
7231 1 19 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.934 -0.074 18091
7232 1 19 . 1 1 46 46 GLN C C 564 178.300 178.300 178.041 0.259 18091
7233 1 19 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.364 -0.644 18091
7234 1 19 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.736 -0.716 18091
7235 1 19 . 1 1 46 46 GLN H H 564 7.510 7.510 8.012 -0.502 18091
7236 1 19 . 1 1 47 47 GLU N N 565 117.680 117.680 117.718 -0.038 18091
7237 1 19 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.950 -0.050 18091
7238 1 19 . 1 1 47 47 GLU C C 565 179.070 179.070 179.143 -0.073 18091
7239 1 19 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.964 -0.584 18091
7240 1 19 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.982 0.008 18091
7241 1 19 . 1 1 47 47 GLU H H 565 7.440 7.440 7.871 -0.431 18091
7242 1 19 . 1 1 48 48 HIS N N 566 118.220 118.220 119.648 -1.428 18091
7243 1 19 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.351 0.029 18091
7244 1 19 . 1 1 48 48 HIS C C 566 177.280 177.280 177.890 -0.610 18091
7245 1 19 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.083 -0.223 18091
7246 1 19 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.823 1.617 18091
7247 1 19 . 1 1 48 48 HIS H H 566 7.420 7.420 7.470 -0.050 18091
7248 1 19 . 1 1 49 49 MET N N 567 115.200 115.200 118.473 -3.273 18091
7249 1 19 . 1 1 49 49 MET HA H 567 3.840 3.840 4.319 -0.479 18091
7250 1 19 . 1 1 49 49 MET C C 567 175.260 175.260 177.534 -2.274 18091
7251 1 19 . 1 1 49 49 MET CA C 567 57.840 57.840 58.812 -0.972 18091
7252 1 19 . 1 1 49 49 MET CB C 567 33.080 33.080 32.805 0.275 18091
7253 1 19 . 1 1 49 49 MET H H 567 7.710 7.710 7.896 -0.186 18091
7254 1 19 . 1 1 50 50 LYS N N 568 116.040 116.040 116.159 -0.119 18091
7255 1 19 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.067 -0.107 18091
7256 1 19 . 1 1 50 50 LYS C C 568 176.220 176.220 176.861 -0.641 18091
7257 1 19 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.459 -0.069 18091
7258 1 19 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.363 -0.143 18091
7259 1 19 . 1 1 50 50 LYS H H 568 7.140 7.140 7.598 -0.458 18091
7260 1 19 . 1 1 51 51 ASN N N 569 119.600 119.600 118.449 1.151 18091
7261 1 19 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.826 0.194 18091
7262 1 19 . 1 1 51 51 ASN C C 569 173.920 173.920 175.300 -1.380 18091
7263 1 19 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.628 -1.678 18091
7264 1 19 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.919 -0.919 18091
7265 1 19 . 1 1 51 51 ASN H H 569 7.480 7.480 7.441 0.039 18091
7266 1 19 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.318 -0.058 18091
7267 1 19 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.826 -0.716 18091
7268 1 19 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.026 0.244 18091
7269 1 19 . 1 1 53 53 GLU N N 571 116.870 116.870 118.407 -1.537 18091
7270 1 19 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.170 -0.100 18091
7271 1 19 . 1 1 53 53 GLU C C 571 178.830 178.830 178.896 -0.066 18091
7272 1 19 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.495 -0.615 18091
7273 1 19 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.569 -0.139 18091
7274 1 19 . 1 1 53 53 GLU H H 571 7.960 7.960 8.484 -0.524 18091
7275 1 19 . 1 1 54 54 VAL N N 572 118.290 118.290 119.260 -0.970 18091
7276 1 19 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.817 -0.157 18091
7277 1 19 . 1 1 54 54 VAL C C 572 177.620 177.620 177.974 -0.354 18091
7278 1 19 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.975 -0.875 18091
7279 1 19 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.465 0.745 18091
7280 1 19 . 1 1 54 54 VAL H H 572 7.330 7.330 7.829 -0.499 18091
7281 1 19 . 1 1 55 55 PHE N N 573 121.090 121.090 122.019 -0.929 18091
7282 1 19 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.107 -0.217 18091
7283 1 19 . 1 1 55 55 PHE C C 573 176.760 176.760 177.054 -0.294 18091
7284 1 19 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.020 0.210 18091
7285 1 19 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.870 -0.250 18091
7286 1 19 . 1 1 55 55 PHE H H 573 8.700 8.700 8.878 -0.178 18091
7287 1 19 . 1 1 56 56 LYS N N 574 116.910 116.910 119.403 -2.493 18091
7288 1 19 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.737 0.053 18091
7289 1 19 . 1 1 56 56 LYS C C 574 178.980 178.980 178.755 0.225 18091
7290 1 19 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.678 -0.198 18091
7291 1 19 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.431 -0.231 18091
7292 1 19 . 1 1 56 56 LYS H H 574 7.800 7.800 7.843 -0.043 18091
7293 1 19 . 1 1 57 57 LYS N N 575 119.120 119.120 119.150 -0.030 18091
7294 1 19 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.994 -0.084 18091
7295 1 19 . 1 1 57 57 LYS C C 575 178.520 178.520 179.142 -0.622 18091
7296 1 19 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.573 0.377 18091
7297 1 19 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.395 0.665 18091
7298 1 19 . 1 1 57 57 LYS H H 575 7.170 7.170 7.295 -0.125 18091
7299 1 19 . 1 1 58 58 ILE N N 576 119.180 119.180 119.041 0.139 18091
7300 1 19 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.733 -0.413 18091
7301 1 19 . 1 1 58 58 ILE C C 576 177.820 177.820 178.259 -0.439 18091
7302 1 19 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.041 0.489 18091
7303 1 19 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.963 -0.713 18091
7304 1 19 . 1 1 58 58 ILE H H 576 8.300 8.300 8.421 -0.121 18091
7305 1 19 . 1 1 59 59 GLN N N 577 118.000 118.000 118.409 -0.409 18091
7306 1 19 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.793 -0.123 18091
7307 1 19 . 1 1 59 59 GLN C C 577 179.250 179.250 178.454 0.796 18091
7308 1 19 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.298 -0.178 18091
7309 1 19 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.298 -0.458 18091
7310 1 19 . 1 1 59 59 GLN H H 577 8.180 8.180 7.736 0.444 18091
7311 1 19 . 1 1 60 60 THR N N 578 118.670 118.670 117.010 1.660 18091
7312 1 19 . 1 1 60 60 THR HA H 578 3.760 3.760 3.865 -0.105 18091
7313 1 19 . 1 1 60 60 THR C C 578 176.060 176.060 176.486 -0.426 18091
7314 1 19 . 1 1 60 60 THR CA C 578 66.890 66.890 67.284 -0.394 18091
7315 1 19 . 1 1 60 60 THR CB C 578 68.030 68.030 68.643 -0.613 18091
7316 1 19 . 1 1 60 60 THR H H 578 7.780 7.780 7.643 0.137 18091
7317 1 19 . 1 1 61 61 LEU N N 579 120.680 120.680 120.742 -0.062 18091
7318 1 19 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.005 -0.155 18091
7319 1 19 . 1 1 61 61 LEU C C 579 179.590 179.590 178.775 0.815 18091
7320 1 19 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.608 0.042 18091
7321 1 19 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.223 -0.243 18091
7322 1 19 . 1 1 61 61 LEU H H 579 7.620 7.620 7.358 0.262 18091
7323 1 19 . 1 1 62 62 ILE N N 580 122.880 122.880 120.586 2.294 18091
7324 1 19 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.743 0.287 18091
7325 1 19 . 1 1 62 62 ILE C C 580 180.260 180.260 179.150 1.110 18091
7326 1 19 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.943 -0.213 18091
7327 1 19 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.701 0.609 18091
7328 1 19 . 1 1 62 62 ILE H H 580 8.540 8.540 7.535 1.005 18091
7329 1 19 . 1 1 63 63 ALA N N 581 124.510 124.510 122.893 1.617 18091
7330 1 19 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.046 -0.076 18091
7331 1 19 . 1 1 63 63 ALA C C 581 179.000 179.000 178.785 0.215 18091
7332 1 19 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.754 0.086 18091
7333 1 19 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.335 -0.835 18091
7334 1 19 . 1 1 63 63 ALA H H 581 8.120 8.120 7.994 0.126 18091
7335 1 19 . 1 1 64 64 ALA N N 582 116.250 116.250 118.470 -2.220 18091
7336 1 19 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.244 -0.104 18091
7337 1 19 . 1 1 64 64 ALA C C 582 177.040 177.040 177.692 -0.652 18091
7338 1 19 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.891 0.289 18091
7339 1 19 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.945 0.915 18091
7340 1 19 . 1 1 64 64 ALA H H 582 7.470 7.470 7.527 -0.057 18091
7341 1 19 . 1 1 65 65 GLY N N 583 104.540 104.540 106.044 -1.504 18091
7342 1 19 . 1 1 65 65 GLY C C 583 174.180 174.180 174.873 -0.693 18091
7343 1 19 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.928 -1.138 18091
7344 1 19 . 1 1 65 65 GLY H H 583 7.600 7.600 7.637 -0.037 18091
7345 1 19 . 1 1 66 66 ILE N N 584 118.630 118.630 117.088 1.542 18091
7346 1 19 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.078 -0.318 18091
7347 1 19 . 1 1 66 66 ILE C C 584 175.660 175.660 175.673 -0.013 18091
7348 1 19 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.567 -1.017 18091
7349 1 19 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.716 -1.106 18091
7350 1 19 . 1 1 66 66 ILE H H 584 7.590 7.590 7.740 -0.150 18091
7351 1 19 . 1 1 67 67 ILE N N 585 116.360 116.360 119.514 -3.154 18091
7352 1 19 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.310 -0.140 18091
7353 1 19 . 1 1 67 67 ILE C C 585 174.370 174.370 174.718 -0.348 18091
7354 1 19 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.055 -0.575 18091
7355 1 19 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.912 -1.282 18091
7356 1 19 . 1 1 67 67 ILE H H 585 6.490 6.490 7.301 -0.811 18091
7357 1 19 . 1 1 68 68 ARG N N 586 125.450 125.450 125.746 -0.296 18091
7358 1 19 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.556 -0.176 18091
7359 1 19 . 1 1 68 68 ARG C C 586 175.720 175.720 176.323 -0.603 18091
7360 1 19 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.424 -1.504 18091
7361 1 19 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.407 0.913 18091
7362 1 19 . 1 1 68 68 ARG H H 586 8.500 8.500 8.698 -0.198 18091
7363 1 19 . 1 1 69 69 THR N N 587 113.710 113.710 115.403 -1.693 18091
7364 1 19 . 1 1 69 69 THR HA H 587 4.300 4.300 4.450 -0.150 18091
7365 1 19 . 1 1 69 69 THR C C 587 174.760 174.760 175.147 -0.387 18091
7366 1 19 . 1 1 69 69 THR CA C 587 61.300 61.300 61.444 -0.144 18091
7367 1 19 . 1 1 69 69 THR CB C 587 69.720 69.720 69.612 0.108 18091
7368 1 19 . 1 1 69 69 THR H H 587 8.250 8.250 8.715 -0.465 18091
7369 1 19 . 1 1 70 70 GLY N N 588 110.720 110.720 112.588 -1.868 18091
7370 1 19 . 1 1 70 70 GLY C C 588 172.820 172.820 174.947 -2.127 18091
7371 1 19 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.068 0.092 18091
7372 1 19 . 1 1 70 70 GLY H H 588 8.230 8.230 8.404 -0.174 18091
7373 1 20 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.403 -0.173 18091
7374 1 20 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.435 -0.185 18091
7375 1 20 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.133 -0.173 18091
7376 1 20 . 1 1 3 3 GLY N N 521 109.400 109.400 109.911 -0.511 18091
7377 1 20 . 1 1 3 3 GLY C C 521 174.300 174.300 173.464 0.836 18091
7378 1 20 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.108 0.072 18091
7379 1 20 . 1 1 3 3 GLY H H 521 8.490 8.490 8.375 0.115 18091
7380 1 20 . 1 1 4 4 THR N N 522 112.480 112.480 111.390 1.090 18091
7381 1 20 . 1 1 4 4 THR HA H 522 4.300 4.300 4.816 -0.516 18091
7382 1 20 . 1 1 4 4 THR C C 522 174.690 174.690 172.944 1.746 18091
7383 1 20 . 1 1 4 4 THR CA C 522 61.240 61.240 60.953 0.287 18091
7384 1 20 . 1 1 4 4 THR CB C 522 69.960 69.960 71.034 -1.074 18091
7385 1 20 . 1 1 4 4 THR H H 522 7.860 7.860 7.586 0.274 18091
7386 1 20 . 1 1 5 5 SER N N 523 117.450 117.450 116.493 0.957 18091
7387 1 20 . 1 1 5 5 SER HA H 523 3.890 3.890 4.722 -0.832 18091
7388 1 20 . 1 1 5 5 SER C C 523 173.320 173.320 173.054 0.266 18091
7389 1 20 . 1 1 5 5 SER CA C 523 58.460 58.460 57.785 0.675 18091
7390 1 20 . 1 1 5 5 SER CB C 523 63.690 63.690 65.173 -1.483 18091
7391 1 20 . 1 1 5 5 SER H H 523 8.300 8.300 8.118 0.182 18091
7392 1 20 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.882 -0.532 18091
7393 1 20 . 1 1 6 6 ASN C C 524 174.670 174.670 174.373 0.297 18091
7394 1 20 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.014 0.046 18091
7395 1 20 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.852 -0.142 18091
7396 1 20 . 1 1 7 7 GLU N N 525 120.970 120.970 121.230 -0.260 18091
7397 1 20 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.657 -0.317 18091
7398 1 20 . 1 1 7 7 GLU C C 525 176.900 176.900 174.949 1.951 18091
7399 1 20 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.225 0.815 18091
7400 1 20 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.284 -1.214 18091
7401 1 20 . 1 1 7 7 GLU H H 525 7.970 7.970 7.936 0.034 18091
7402 1 20 . 1 1 8 8 THR N N 526 116.960 116.960 111.294 5.666 18091
7403 1 20 . 1 1 8 8 THR HA H 526 4.540 4.540 4.181 0.359 18091
7404 1 20 . 1 1 8 8 THR C C 526 173.410 173.410 173.359 0.051 18091
7405 1 20 . 1 1 8 8 THR CA C 526 60.080 60.080 62.227 -2.147 18091
7406 1 20 . 1 1 8 8 THR CB C 526 68.500 68.500 67.648 0.852 18091
7407 1 20 . 1 1 8 8 THR H H 526 8.630 8.630 8.504 0.126 18091
7408 1 20 . 1 1 9 9 PRO HA H 527 4.190 4.190 3.950 0.240 18091
7409 1 20 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.920 0.190 18091
7410 1 20 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.836 -0.256 18091
7411 1 20 . 1 1 10 10 GLU N N 528 118.610 118.610 116.867 1.743 18091
7412 1 20 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.254 -0.274 18091
7413 1 20 . 1 1 10 10 GLU C C 528 178.550 178.550 178.819 -0.269 18091
7414 1 20 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.801 -0.221 18091
7415 1 20 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.103 -0.113 18091
7416 1 20 . 1 1 10 10 GLU H H 528 8.550 8.550 8.959 -0.409 18091
7417 1 20 . 1 1 11 11 GLU N N 529 121.090 121.090 120.063 1.027 18091
7418 1 20 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.280 -0.350 18091
7419 1 20 . 1 1 11 11 GLU C C 529 179.470 179.470 178.690 0.780 18091
7420 1 20 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.066 -0.116 18091
7421 1 20 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.573 -0.093 18091
7422 1 20 . 1 1 11 11 GLU H H 529 7.870 7.870 8.157 -0.287 18091
7423 1 20 . 1 1 12 12 THR N N 530 118.050 118.050 117.082 0.968 18091
7424 1 20 . 1 1 12 12 THR HA H 530 3.750 3.750 3.880 -0.130 18091
7425 1 20 . 1 1 12 12 THR C C 530 175.770 175.770 176.413 -0.643 18091
7426 1 20 . 1 1 12 12 THR CA C 530 66.320 66.320 67.206 -0.886 18091
7427 1 20 . 1 1 12 12 THR CB C 530 68.430 68.430 68.638 -0.207 18091
7428 1 20 . 1 1 12 12 THR H H 530 8.390 8.390 7.365 1.025 18091
7429 1 20 . 1 1 13 13 TYR N N 531 122.280 122.280 120.054 2.226 18091
7430 1 20 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.074 -0.254 18091
7431 1 20 . 1 1 13 13 TYR C C 531 176.420 176.420 178.054 -1.634 18091
7432 1 20 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.095 0.345 18091
7433 1 20 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.330 0.780 18091
7434 1 20 . 1 1 13 13 TYR H H 531 8.050 8.050 7.467 0.583 18091
7435 1 20 . 1 1 14 14 GLN N N 532 116.250 116.250 118.113 -1.863 18091
7436 1 20 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.928 -0.238 18091
7437 1 20 . 1 1 14 14 GLN C C 532 178.800 178.800 178.331 0.469 18091
7438 1 20 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.718 -0.098 18091
7439 1 20 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.278 -0.218 18091
7440 1 20 . 1 1 14 14 GLN H H 532 8.010 8.010 8.014 -0.004 18091
7441 1 20 . 1 1 15 15 ARG N N 533 118.730 118.730 120.708 -1.978 18091
7442 1 20 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.027 -0.107 18091
7443 1 20 . 1 1 15 15 ARG C C 533 179.030 179.030 178.993 0.037 18091
7444 1 20 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.021 0.119 18091
7445 1 20 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.207 -0.407 18091
7446 1 20 . 1 1 15 15 ARG H H 533 7.800 7.800 7.857 -0.057 18091
7447 1 20 . 1 1 16 16 ALA N N 534 123.500 123.500 121.948 1.552 18091
7448 1 20 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.120 -0.160 18091
7449 1 20 . 1 1 16 16 ALA C C 534 178.860 178.860 179.970 -1.110 18091
7450 1 20 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.764 -0.095 18091
7451 1 20 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.289 0.441 18091
7452 1 20 . 1 1 16 16 ALA H H 534 8.210 8.210 7.893 0.317 18091
7453 1 20 . 1 1 17 17 MET N N 535 111.910 111.910 116.510 -4.600 18091
7454 1 20 . 1 1 17 17 MET HA H 535 4.020 4.020 4.237 -0.217 18091
7455 1 20 . 1 1 17 17 MET C C 535 176.890 176.890 177.287 -0.397 18091
7456 1 20 . 1 1 17 17 MET CA C 535 55.200 55.200 57.389 -2.188 18091
7457 1 20 . 1 1 17 17 MET CB C 535 31.110 31.110 32.615 -1.506 18091
7458 1 20 . 1 1 17 17 MET H H 535 7.480 7.480 8.010 -0.530 18091
7459 1 20 . 1 1 18 18 LYS N N 536 116.840 116.840 117.622 -0.782 18091
7460 1 20 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.162 -0.172 18091
7461 1 20 . 1 1 18 18 LYS C C 536 176.690 176.690 176.392 0.298 18091
7462 1 20 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.001 -0.411 18091
7463 1 20 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.450 -0.110 18091
7464 1 20 . 1 1 18 18 LYS H H 536 7.180 7.180 7.314 -0.134 18091
7465 1 20 . 1 1 19 19 ASP N N 537 122.680 122.680 121.230 1.450 18091
7466 1 20 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.918 -0.118 18091
7467 1 20 . 1 1 19 19 ASP C C 537 174.720 174.720 175.286 -0.566 18091
7468 1 20 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.109 -0.019 18091
7469 1 20 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.358 0.612 18091
7470 1 20 . 1 1 19 19 ASP H H 537 7.530 7.530 7.638 -0.108 18091
7471 1 20 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.239 -0.099 18091
7472 1 20 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.017 -0.268 18091
7473 1 20 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.070 0.050 18091
7474 1 20 . 1 1 21 21 GLU N N 539 118.590 118.590 117.520 1.070 18091
7475 1 20 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.072 -0.062 18091
7476 1 20 . 1 1 21 21 GLU C C 539 179.010 179.010 178.863 0.147 18091
7477 1 20 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.206 -0.356 18091
7478 1 20 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.097 0.243 18091
7479 1 20 . 1 1 21 21 GLU H H 539 8.200 8.200 8.352 -0.152 18091
7480 1 20 . 1 1 22 22 VAL N N 540 120.690 120.690 120.446 0.244 18091
7481 1 20 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.592 -0.362 18091
7482 1 20 . 1 1 22 22 VAL C C 540 177.740 177.740 177.575 0.165 18091
7483 1 20 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.882 -0.792 18091
7484 1 20 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.522 -0.172 18091
7485 1 20 . 1 1 22 22 VAL H H 540 7.350 7.350 7.630 -0.280 18091
7486 1 20 . 1 1 23 23 ALA N N 541 121.460 121.460 121.867 -0.407 18091
7487 1 20 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.939 -0.169 18091
7488 1 20 . 1 1 23 23 ALA C C 541 179.660 179.660 179.029 0.631 18091
7489 1 20 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.096 0.294 18091
7490 1 20 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.022 -0.312 18091
7491 1 20 . 1 1 23 23 ALA H H 541 8.430 8.430 7.571 0.859 18091
7492 1 20 . 1 1 24 24 ALA N N 542 117.000 117.000 121.192 -4.192 18091
7493 1 20 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.114 -0.174 18091
7494 1 20 . 1 1 24 24 ALA C C 542 180.880 180.880 179.149 1.731 18091
7495 1 20 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.650 0.050 18091
7496 1 20 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.302 -0.352 18091
7497 1 20 . 1 1 24 24 ALA H H 542 7.380 7.380 7.609 -0.229 18091
7498 1 20 . 1 1 25 25 ILE N N 543 119.750 119.750 118.111 1.639 18091
7499 1 20 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.793 -0.103 18091
7500 1 20 . 1 1 25 25 ILE C C 543 177.450 177.450 178.494 -1.044 18091
7501 1 20 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.408 0.552 18091
7502 1 20 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.225 0.055 18091
7503 1 20 . 1 1 25 25 ILE H H 543 7.380 7.380 7.445 -0.065 18091
7504 1 20 . 1 1 26 26 MET N N 544 113.830 113.830 117.446 -3.616 18091
7505 1 20 . 1 1 26 26 MET HA H 544 4.140 4.140 4.096 0.044 18091
7506 1 20 . 1 1 26 26 MET C C 544 177.680 177.680 177.847 -0.167 18091
7507 1 20 . 1 1 26 26 MET CA C 544 55.660 55.660 58.584 -2.924 18091
7508 1 20 . 1 1 26 26 MET CB C 544 30.690 30.690 32.607 -1.917 18091
7509 1 20 . 1 1 26 26 MET H H 544 7.870 7.870 7.686 0.184 18091
7510 1 20 . 1 1 27 27 GLN N N 545 115.210 115.210 115.666 -0.456 18091
7511 1 20 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.313 -0.233 18091
7512 1 20 . 1 1 27 27 GLN C C 545 175.170 175.170 175.509 -0.339 18091
7513 1 20 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.054 -0.614 18091
7514 1 20 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.447 -0.457 18091
7515 1 20 . 1 1 27 27 GLN H H 545 7.340 7.340 7.427 -0.087 18091
7516 1 20 . 1 1 28 28 ASP N N 546 123.270 123.270 119.029 4.241 18091
7517 1 20 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.020 -0.300 18091
7518 1 20 . 1 1 28 28 ASP C C 546 175.220 175.220 174.802 0.418 18091
7519 1 20 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.705 0.635 18091
7520 1 20 . 1 1 28 28 ASP CB C 546 42.380 42.380 43.119 -0.739 18091
7521 1 20 . 1 1 28 28 ASP H H 546 7.320 7.320 7.930 -0.610 18091
7522 1 20 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.336 -0.216 18091
7523 1 20 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.046 0.874 18091
7524 1 20 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.521 -0.261 18091
7525 1 20 . 1 1 30 30 VAL N N 548 119.870 119.870 119.900 -0.030 18091
7526 1 20 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.676 -0.096 18091
7527 1 20 . 1 1 30 30 VAL C C 548 179.010 179.010 177.920 1.090 18091
7528 1 20 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.949 -0.949 18091
7529 1 20 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.183 -0.073 18091
7530 1 20 . 1 1 30 30 VAL H H 548 8.000 8.000 7.926 0.074 18091
7531 1 20 . 1 1 31 31 MET N N 549 118.270 118.270 117.260 1.010 18091
7532 1 20 . 1 1 31 31 MET HA H 549 4.340 4.340 3.994 0.346 18091
7533 1 20 . 1 1 31 31 MET C C 549 178.830 178.830 178.320 0.510 18091
7534 1 20 . 1 1 31 31 MET CA C 549 55.140 55.140 58.827 -3.687 18091
7535 1 20 . 1 1 31 31 MET CB C 549 28.840 28.840 32.227 -3.387 18091
7536 1 20 . 1 1 31 31 MET H H 549 7.250 7.250 7.903 -0.653 18091
7537 1 20 . 1 1 32 32 GLN N N 550 118.190 118.190 119.092 -0.902 18091
7538 1 20 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.906 -0.166 18091
7539 1 20 . 1 1 32 32 GLN C C 550 178.840 178.840 178.328 0.512 18091
7540 1 20 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.026 0.394 18091
7541 1 20 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.283 -0.623 18091
7542 1 20 . 1 1 32 32 GLN H H 550 8.310 8.310 8.317 -0.007 18091
7543 1 20 . 1 1 33 33 SER N N 551 114.010 114.010 114.984 -0.974 18091
7544 1 20 . 1 1 33 33 SER HA H 551 4.140 4.140 4.126 0.014 18091
7545 1 20 . 1 1 33 33 SER C C 551 176.840 176.840 176.632 0.208 18091
7546 1 20 . 1 1 33 33 SER CA C 551 61.330 61.330 61.697 -0.367 18091
7547 1 20 . 1 1 33 33 SER CB C 551 62.450 62.450 62.888 -0.438 18091
7548 1 20 . 1 1 33 33 SER H H 551 7.570 7.570 7.636 -0.066 18091
7549 1 20 . 1 1 34 34 ILE N N 552 123.490 123.490 121.997 1.493 18091
7550 1 20 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.451 -0.171 18091
7551 1 20 . 1 1 34 34 ILE C C 552 177.630 177.630 177.640 -0.010 18091
7552 1 20 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.079 0.601 18091
7553 1 20 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.485 0.235 18091
7554 1 20 . 1 1 34 34 ILE H H 552 7.600 7.600 7.439 0.161 18091
7555 1 20 . 1 1 35 35 LEU N N 553 119.520 119.520 119.618 -0.098 18091
7556 1 20 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.822 -0.072 18091
7557 1 20 . 1 1 35 35 LEU C C 553 179.440 179.440 179.337 0.103 18091
7558 1 20 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.021 -0.071 18091
7559 1 20 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.273 -0.573 18091
7560 1 20 . 1 1 35 35 LEU H H 553 8.330 8.330 7.739 0.591 18091
7561 1 20 . 1 1 36 36 GLN N N 554 118.590 118.590 117.470 1.120 18091
7562 1 20 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.936 -0.016 18091
7563 1 20 . 1 1 36 36 GLN C C 554 178.560 178.560 178.987 -0.427 18091
7564 1 20 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.825 -0.165 18091
7565 1 20 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.060 0.000 18091
7566 1 20 . 1 1 36 36 GLN H H 554 7.800 7.800 7.814 -0.014 18091
7567 1 20 . 1 1 37 37 GLN N N 555 119.520 119.520 118.341 1.179 18091
7568 1 20 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.072 -0.142 18091
7569 1 20 . 1 1 37 37 GLN C C 555 178.400 178.400 178.368 0.032 18091
7570 1 20 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.368 0.161 18091
7571 1 20 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.245 0.545 18091
7572 1 20 . 1 1 37 37 GLN H H 555 7.990 7.990 8.080 -0.090 18091
7573 1 20 . 1 1 38 38 ALA N N 556 120.730 120.730 121.780 -1.050 18091
7574 1 20 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.372 -0.262 18091
7575 1 20 . 1 1 38 38 ALA C C 556 178.310 178.310 179.932 -1.622 18091
7576 1 20 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.785 -1.285 18091
7577 1 20 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.341 0.029 18091
7578 1 20 . 1 1 38 38 ALA H H 556 8.310 8.310 7.978 0.332 18091
7579 1 20 . 1 1 39 39 GLN N N 557 115.600 115.600 117.569 -1.969 18091
7580 1 20 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.002 -0.042 18091
7581 1 20 . 1 1 39 39 GLN C C 557 177.260 177.260 178.737 -1.477 18091
7582 1 20 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.317 -0.397 18091
7583 1 20 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.632 -0.152 18091
7584 1 20 . 1 1 39 39 GLN H H 557 7.530 7.530 7.746 -0.216 18091
7585 1 20 . 1 1 40 40 GLN N N 558 115.310 115.310 117.002 -1.692 18091
7586 1 20 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.137 0.043 18091
7587 1 20 . 1 1 40 40 GLN C C 558 176.030 176.030 176.435 -0.405 18091
7588 1 20 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.724 -1.174 18091
7589 1 20 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.820 -0.500 18091
7590 1 20 . 1 1 40 40 GLN H H 558 7.350 7.350 7.642 -0.292 18091
7591 1 20 . 1 1 41 41 ASN N N 559 114.850 114.850 115.071 -0.221 18091
7592 1 20 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.094 -0.144 18091
7593 1 20 . 1 1 41 41 ASN C C 559 172.420 172.420 173.250 -0.830 18091
7594 1 20 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.544 -1.114 18091
7595 1 20 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.242 -2.362 18091
7596 1 20 . 1 1 41 41 ASN H H 559 7.900 7.900 8.100 -0.200 18091
7597 1 20 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.625 -0.295 18091
7598 1 20 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.662 0.338 18091
7599 1 20 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.206 -0.526 18091
7600 1 20 . 1 1 43 43 ALA N N 561 119.920 119.920 120.391 -0.471 18091
7601 1 20 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.191 -0.060 18091
7602 1 20 . 1 1 43 43 ALA C C 561 179.510 179.510 179.017 0.493 18091
7603 1 20 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.234 -0.185 18091
7604 1 20 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.219 -0.169 18091
7605 1 20 . 1 1 43 43 ALA H H 561 7.850 7.850 7.698 0.152 18091
7606 1 20 . 1 1 44 44 ALA N N 562 120.790 120.790 121.956 -1.166 18091
7607 1 20 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.156 -0.136 18091
7608 1 20 . 1 1 44 44 ALA C C 562 179.570 179.570 179.716 -0.146 18091
7609 1 20 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.109 -0.989 18091
7610 1 20 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.488 -0.288 18091
7611 1 20 . 1 1 44 44 ALA H H 562 7.980 7.980 7.689 0.291 18091
7612 1 20 . 1 1 45 45 LEU N N 563 116.420 116.420 117.110 -0.690 18091
7613 1 20 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.397 -0.417 18091
7614 1 20 . 1 1 45 45 LEU C C 563 178.220 178.220 178.881 -0.661 18091
7615 1 20 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.675 0.965 18091
7616 1 20 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.479 1.211 18091
7617 1 20 . 1 1 45 45 LEU H H 563 7.510 7.510 7.823 -0.313 18091
7618 1 20 . 1 1 46 46 GLN N N 564 115.510 115.510 120.381 -4.871 18091
7619 1 20 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.983 -0.123 18091
7620 1 20 . 1 1 46 46 GLN C C 564 178.300 178.300 178.048 0.252 18091
7621 1 20 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.187 -0.467 18091
7622 1 20 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.432 -0.412 18091
7623 1 20 . 1 1 46 46 GLN H H 564 7.510 7.510 8.097 -0.587 18091
7624 1 20 . 1 1 47 47 GLU N N 565 117.680 117.680 118.135 -0.455 18091
7625 1 20 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.957 -0.057 18091
7626 1 20 . 1 1 47 47 GLU C C 565 179.070 179.070 179.180 -0.110 18091
7627 1 20 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.974 -0.594 18091
7628 1 20 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.069 -0.079 18091
7629 1 20 . 1 1 47 47 GLU H H 565 7.440 7.440 7.869 -0.429 18091
7630 1 20 . 1 1 48 48 HIS N N 566 118.220 118.220 119.565 -1.345 18091
7631 1 20 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.373 0.007 18091
7632 1 20 . 1 1 48 48 HIS C C 566 177.280 177.280 177.832 -0.552 18091
7633 1 20 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.172 -0.312 18091
7634 1 20 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.822 1.618 18091
7635 1 20 . 1 1 48 48 HIS H H 566 7.420 7.420 7.559 -0.139 18091
7636 1 20 . 1 1 49 49 MET N N 567 115.200 115.200 118.297 -3.097 18091
7637 1 20 . 1 1 49 49 MET HA H 567 3.840 3.840 4.342 -0.502 18091
7638 1 20 . 1 1 49 49 MET C C 567 175.260 175.260 177.226 -1.966 18091
7639 1 20 . 1 1 49 49 MET CA C 567 57.840 57.840 58.638 -0.798 18091
7640 1 20 . 1 1 49 49 MET CB C 567 33.080 33.080 32.834 0.247 18091
7641 1 20 . 1 1 49 49 MET H H 567 7.710 7.710 7.918 -0.208 18091
7642 1 20 . 1 1 50 50 LYS N N 568 116.040 116.040 116.105 -0.065 18091
7643 1 20 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.078 -0.118 18091
7644 1 20 . 1 1 50 50 LYS C C 568 176.220 176.220 176.868 -0.648 18091
7645 1 20 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.364 0.026 18091
7646 1 20 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.315 -0.095 18091
7647 1 20 . 1 1 50 50 LYS H H 568 7.140 7.140 7.461 -0.321 18091
7648 1 20 . 1 1 51 51 ASN N N 569 119.600 119.600 118.090 1.510 18091
7649 1 20 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.857 0.163 18091
7650 1 20 . 1 1 51 51 ASN C C 569 173.920 173.920 175.269 -1.349 18091
7651 1 20 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.610 -1.660 18091
7652 1 20 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.939 -0.939 18091
7653 1 20 . 1 1 51 51 ASN H H 569 7.480 7.480 7.451 0.029 18091
7654 1 20 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.360 -0.100 18091
7655 1 20 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.688 -0.578 18091
7656 1 20 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.084 0.187 18091
7657 1 20 . 1 1 53 53 GLU N N 571 116.870 116.870 118.744 -1.874 18091
7658 1 20 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.164 -0.094 18091
7659 1 20 . 1 1 53 53 GLU C C 571 178.830 178.830 178.962 -0.132 18091
7660 1 20 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.406 -0.526 18091
7661 1 20 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.497 -0.067 18091
7662 1 20 . 1 1 53 53 GLU H H 571 7.960 7.960 8.597 -0.637 18091
7663 1 20 . 1 1 54 54 VAL N N 572 118.290 118.290 119.295 -1.005 18091
7664 1 20 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.777 -0.117 18091
7665 1 20 . 1 1 54 54 VAL C C 572 177.620 177.620 177.693 -0.073 18091
7666 1 20 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.596 -0.496 18091
7667 1 20 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.882 0.328 18091
7668 1 20 . 1 1 54 54 VAL H H 572 7.330 7.330 7.764 -0.434 18091
7669 1 20 . 1 1 55 55 PHE N N 573 121.090 121.090 121.853 -0.763 18091
7670 1 20 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.006 -0.116 18091
7671 1 20 . 1 1 55 55 PHE C C 573 176.760 176.760 176.968 -0.208 18091
7672 1 20 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.015 0.215 18091
7673 1 20 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.873 -0.253 18091
7674 1 20 . 1 1 55 55 PHE H H 573 8.700 8.700 8.490 0.210 18091
7675 1 20 . 1 1 56 56 LYS N N 574 116.910 116.910 119.571 -2.661 18091
7676 1 20 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.798 -0.008 18091
7677 1 20 . 1 1 56 56 LYS C C 574 178.980 178.980 178.827 0.153 18091
7678 1 20 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.684 -0.204 18091
7679 1 20 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.464 -0.264 18091
7680 1 20 . 1 1 56 56 LYS H H 574 7.800 7.800 7.828 -0.028 18091
7681 1 20 . 1 1 57 57 LYS N N 575 119.120 119.120 119.113 0.007 18091
7682 1 20 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.008 -0.098 18091
7683 1 20 . 1 1 57 57 LYS C C 575 178.520 178.520 179.203 -0.683 18091
7684 1 20 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.447 0.503 18091
7685 1 20 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.422 0.638 18091
7686 1 20 . 1 1 57 57 LYS H H 575 7.170 7.170 7.303 -0.133 18091
7687 1 20 . 1 1 58 58 ILE N N 576 119.180 119.180 119.146 0.034 18091
7688 1 20 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.757 -0.437 18091
7689 1 20 . 1 1 58 58 ILE C C 576 177.820 177.820 178.511 -0.691 18091
7690 1 20 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.950 0.580 18091
7691 1 20 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.996 -0.746 18091
7692 1 20 . 1 1 58 58 ILE H H 576 8.300 8.300 8.513 -0.213 18091
7693 1 20 . 1 1 59 59 GLN N N 577 118.000 118.000 118.172 -0.172 18091
7694 1 20 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.783 -0.113 18091
7695 1 20 . 1 1 59 59 GLN C C 577 179.250 179.250 178.316 0.934 18091
7696 1 20 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.336 -0.216 18091
7697 1 20 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.194 -0.354 18091
7698 1 20 . 1 1 59 59 GLN H H 577 8.180 8.180 7.787 0.393 18091
7699 1 20 . 1 1 60 60 THR N N 578 118.670 118.670 117.328 1.342 18091
7700 1 20 . 1 1 60 60 THR HA H 578 3.760 3.760 3.936 -0.176 18091
7701 1 20 . 1 1 60 60 THR C C 578 176.060 176.060 176.421 -0.361 18091
7702 1 20 . 1 1 60 60 THR CA C 578 66.890 66.890 67.517 -0.627 18091
7703 1 20 . 1 1 60 60 THR CB C 578 68.030 68.030 68.424 -0.394 18091
7704 1 20 . 1 1 60 60 THR H H 578 7.780 7.780 7.586 0.194 18091
7705 1 20 . 1 1 61 61 LEU N N 579 120.680 120.680 120.504 0.176 18091
7706 1 20 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.027 -0.177 18091
7707 1 20 . 1 1 61 61 LEU C C 579 179.590 179.590 178.456 1.134 18091
7708 1 20 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.678 -0.028 18091
7709 1 20 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.376 -0.396 18091
7710 1 20 . 1 1 61 61 LEU H H 579 7.620 7.620 7.351 0.269 18091
7711 1 20 . 1 1 62 62 ILE N N 580 122.880 122.880 120.787 2.093 18091
7712 1 20 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.909 0.121 18091
7713 1 20 . 1 1 62 62 ILE C C 580 180.260 180.260 179.154 1.106 18091
7714 1 20 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.973 -0.243 18091
7715 1 20 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.721 0.589 18091
7716 1 20 . 1 1 62 62 ILE H H 580 8.540 8.540 7.435 1.105 18091
7717 1 20 . 1 1 63 63 ALA N N 581 124.510 124.510 122.901 1.609 18091
7718 1 20 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.037 -0.067 18091
7719 1 20 . 1 1 63 63 ALA C C 581 179.000 179.000 178.821 0.179 18091
7720 1 20 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.787 0.053 18091
7721 1 20 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.337 -0.837 18091
7722 1 20 . 1 1 63 63 ALA H H 581 8.120 8.120 8.224 -0.104 18091
7723 1 20 . 1 1 64 64 ALA N N 582 116.250 116.250 118.594 -2.344 18091
7724 1 20 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.263 -0.123 18091
7725 1 20 . 1 1 64 64 ALA C C 582 177.040 177.040 177.728 -0.688 18091
7726 1 20 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.870 0.310 18091
7727 1 20 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.920 0.940 18091
7728 1 20 . 1 1 64 64 ALA H H 582 7.470 7.470 7.511 -0.041 18091
7729 1 20 . 1 1 65 65 GLY N N 583 104.540 104.540 106.321 -1.781 18091
7730 1 20 . 1 1 65 65 GLY C C 583 174.180 174.180 174.842 -0.662 18091
7731 1 20 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.770 -0.980 18091
7732 1 20 . 1 1 65 65 GLY H H 583 7.600 7.600 7.722 -0.122 18091
7733 1 20 . 1 1 66 66 ILE N N 584 118.630 118.630 119.164 -0.534 18091
7734 1 20 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.932 -0.172 18091
7735 1 20 . 1 1 66 66 ILE C C 584 175.660 175.660 176.288 -0.628 18091
7736 1 20 . 1 1 66 66 ILE CA C 584 61.550 61.550 63.188 -1.637 18091
7737 1 20 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.695 -1.085 18091
7738 1 20 . 1 1 66 66 ILE H H 584 7.590 7.590 7.841 -0.251 18091
7739 1 20 . 1 1 67 67 ILE N N 585 116.360 116.360 119.909 -3.549 18091
7740 1 20 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.133 0.037 18091
7741 1 20 . 1 1 67 67 ILE C C 585 174.370 174.370 175.232 -0.862 18091
7742 1 20 . 1 1 67 67 ILE CA C 585 59.480 59.480 61.037 -1.557 18091
7743 1 20 . 1 1 67 67 ILE CB C 585 39.630 39.630 38.275 1.355 18091
7744 1 20 . 1 1 67 67 ILE H H 585 6.490 6.490 7.497 -1.007 18091
7745 1 20 . 1 1 68 68 ARG N N 586 125.450 125.450 126.024 -0.574 18091
7746 1 20 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.649 -0.269 18091
7747 1 20 . 1 1 68 68 ARG C C 586 175.720 175.720 176.085 -0.365 18091
7748 1 20 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.257 -0.337 18091
7749 1 20 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.294 0.026 18091
7750 1 20 . 1 1 68 68 ARG H H 586 8.500 8.500 8.601 -0.101 18091
7751 1 20 . 1 1 69 69 THR N N 587 113.710 113.710 113.062 0.648 18091
7752 1 20 . 1 1 69 69 THR HA H 587 4.300 4.300 4.797 -0.497 18091
7753 1 20 . 1 1 69 69 THR C C 587 174.760 174.760 174.496 0.264 18091
7754 1 20 . 1 1 69 69 THR CA C 587 61.300 61.300 61.319 -0.019 18091
7755 1 20 . 1 1 69 69 THR CB C 587 69.720 69.720 70.347 -0.627 18091
7756 1 20 . 1 1 69 69 THR H H 587 8.250 8.250 8.209 0.041 18091
7757 1 20 . 1 1 70 70 GLY N N 588 110.720 110.720 109.151 1.569 18091
7758 1 20 . 1 1 70 70 GLY C C 588 172.820 172.820 172.628 0.192 18091
7759 1 20 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.272 0.888 18091
7760 1 20 . 1 1 70 70 GLY H H 588 8.230 8.230 8.825 -0.595 18091
7761 1 21 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.451 -0.221 18091
7762 1 21 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.831 0.419 18091
7763 1 21 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.249 -0.289 18091
7764 1 21 . 1 1 3 3 GLY N N 521 109.400 109.400 112.208 -2.808 18091
7765 1 21 . 1 1 3 3 GLY C C 521 174.300 174.300 174.630 -0.330 18091
7766 1 21 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.307 -0.127 18091
7767 1 21 . 1 1 3 3 GLY H H 521 8.490 8.490 8.975 -0.485 18091
7768 1 21 . 1 1 4 4 THR N N 522 112.480 112.480 115.513 -3.033 18091
7769 1 21 . 1 1 4 4 THR HA H 522 4.300 4.300 4.532 -0.232 18091
7770 1 21 . 1 1 4 4 THR C C 522 174.690 174.690 174.672 0.018 18091
7771 1 21 . 1 1 4 4 THR CA C 522 61.240 61.240 61.545 -0.305 18091
7772 1 21 . 1 1 4 4 THR CB C 522 69.960 69.960 70.489 -0.529 18091
7773 1 21 . 1 1 4 4 THR H H 522 7.860 7.860 8.081 -0.221 18091
7774 1 21 . 1 1 5 5 SER N N 523 117.450 117.450 115.303 2.147 18091
7775 1 21 . 1 1 5 5 SER HA H 523 3.890 3.890 4.116 -0.226 18091
7776 1 21 . 1 1 5 5 SER C C 523 173.320 173.320 173.179 0.141 18091
7777 1 21 . 1 1 5 5 SER CA C 523 58.460 58.460 58.724 -0.264 18091
7778 1 21 . 1 1 5 5 SER CB C 523 63.690 63.690 63.747 -0.057 18091
7779 1 21 . 1 1 5 5 SER H H 523 8.300 8.300 8.347 -0.047 18091
7780 1 21 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.823 -0.473 18091
7781 1 21 . 1 1 6 6 ASN C C 524 174.670 174.670 174.675 -0.005 18091
7782 1 21 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.216 -0.156 18091
7783 1 21 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.496 -0.786 18091
7784 1 21 . 1 1 7 7 GLU N N 525 120.970 120.970 125.217 -4.247 18091
7785 1 21 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.727 -0.387 18091
7786 1 21 . 1 1 7 7 GLU C C 525 176.900 176.900 175.018 1.882 18091
7787 1 21 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.234 0.806 18091
7788 1 21 . 1 1 7 7 GLU CB C 525 31.070 31.070 33.238 -2.168 18091
7789 1 21 . 1 1 7 7 GLU H H 525 7.970 7.970 8.530 -0.560 18091
7790 1 21 . 1 1 8 8 THR N N 526 116.960 116.960 112.663 4.297 18091
7791 1 21 . 1 1 8 8 THR HA H 526 4.540 4.540 4.146 0.394 18091
7792 1 21 . 1 1 8 8 THR C C 526 173.410 173.410 173.849 -0.439 18091
7793 1 21 . 1 1 8 8 THR CA C 526 60.080 60.080 62.285 -2.204 18091
7794 1 21 . 1 1 8 8 THR CB C 526 68.500 68.500 67.916 0.584 18091
7795 1 21 . 1 1 8 8 THR H H 526 8.630 8.630 8.342 0.288 18091
7796 1 21 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.185 0.005 18091
7797 1 21 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.276 -0.166 18091
7798 1 21 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.889 -0.309 18091
7799 1 21 . 1 1 10 10 GLU N N 528 118.610 118.610 116.965 1.645 18091
7800 1 21 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.060 -0.080 18091
7801 1 21 . 1 1 10 10 GLU C C 528 178.550 178.550 178.854 -0.304 18091
7802 1 21 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.663 -0.082 18091
7803 1 21 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.066 -0.076 18091
7804 1 21 . 1 1 10 10 GLU H H 528 8.550 8.550 8.959 -0.409 18091
7805 1 21 . 1 1 11 11 GLU N N 529 121.090 121.090 119.625 1.465 18091
7806 1 21 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.097 -0.167 18091
7807 1 21 . 1 1 11 11 GLU C C 529 179.470 179.470 178.876 0.594 18091
7808 1 21 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.382 -0.432 18091
7809 1 21 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.604 -0.124 18091
7810 1 21 . 1 1 11 11 GLU H H 529 7.870 7.870 8.252 -0.382 18091
7811 1 21 . 1 1 12 12 THR N N 530 118.050 118.050 116.679 1.371 18091
7812 1 21 . 1 1 12 12 THR HA H 530 3.750 3.750 3.992 -0.242 18091
7813 1 21 . 1 1 12 12 THR C C 530 175.770 175.770 176.215 -0.445 18091
7814 1 21 . 1 1 12 12 THR CA C 530 66.320 66.320 67.657 -1.337 18091
7815 1 21 . 1 1 12 12 THR CB C 530 68.430 68.430 68.838 -0.408 18091
7816 1 21 . 1 1 12 12 THR H H 530 8.390 8.390 7.506 0.884 18091
7817 1 21 . 1 1 13 13 TYR N N 531 122.280 122.280 122.886 -0.606 18091
7818 1 21 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.012 -0.192 18091
7819 1 21 . 1 1 13 13 TYR C C 531 176.420 176.420 177.705 -1.285 18091
7820 1 21 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.291 -0.851 18091
7821 1 21 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.292 -0.182 18091
7822 1 21 . 1 1 13 13 TYR H H 531 8.050 8.050 7.969 0.081 18091
7823 1 21 . 1 1 14 14 GLN N N 532 116.250 116.250 117.683 -1.433 18091
7824 1 21 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.884 -0.194 18091
7825 1 21 . 1 1 14 14 GLN C C 532 178.800 178.800 178.330 0.470 18091
7826 1 21 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.119 -0.499 18091
7827 1 21 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.499 -0.439 18091
7828 1 21 . 1 1 14 14 GLN H H 532 8.010 8.010 7.928 0.082 18091
7829 1 21 . 1 1 15 15 ARG N N 533 118.730 118.730 119.734 -1.004 18091
7830 1 21 . 1 1 15 15 ARG HA H 533 3.920 3.920 3.985 -0.065 18091
7831 1 21 . 1 1 15 15 ARG C C 533 179.030 179.030 178.864 0.166 18091
7832 1 21 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.108 0.032 18091
7833 1 21 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.200 -0.400 18091
7834 1 21 . 1 1 15 15 ARG H H 533 7.800 7.800 7.840 -0.040 18091
7835 1 21 . 1 1 16 16 ALA N N 534 123.500 123.500 121.732 1.768 18091
7836 1 21 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.952 0.008 18091
7837 1 21 . 1 1 16 16 ALA C C 534 178.860 178.860 179.697 -0.837 18091
7838 1 21 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.825 -0.155 18091
7839 1 21 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.354 0.376 18091
7840 1 21 . 1 1 16 16 ALA H H 534 8.210 8.210 7.821 0.389 18091
7841 1 21 . 1 1 17 17 MET N N 535 111.910 111.910 115.003 -3.093 18091
7842 1 21 . 1 1 17 17 MET HA H 535 4.020 4.020 4.021 -0.001 18091
7843 1 21 . 1 1 17 17 MET C C 535 176.890 176.890 177.349 -0.459 18091
7844 1 21 . 1 1 17 17 MET CA C 535 55.200 55.200 57.057 -1.857 18091
7845 1 21 . 1 1 17 17 MET CB C 535 31.110 31.110 31.602 -0.492 18091
7846 1 21 . 1 1 17 17 MET H H 535 7.480 7.480 7.833 -0.353 18091
7847 1 21 . 1 1 18 18 LYS N N 536 116.840 116.840 116.730 0.110 18091
7848 1 21 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.135 -0.145 18091
7849 1 21 . 1 1 18 18 LYS C C 536 176.690 176.690 176.601 0.089 18091
7850 1 21 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.013 -0.423 18091
7851 1 21 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.495 -0.155 18091
7852 1 21 . 1 1 18 18 LYS H H 536 7.180 7.180 7.205 -0.025 18091
7853 1 21 . 1 1 19 19 ASP N N 537 122.680 122.680 120.952 1.728 18091
7854 1 21 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.856 -0.056 18091
7855 1 21 . 1 1 19 19 ASP C C 537 174.720 174.720 175.508 -0.788 18091
7856 1 21 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.761 0.329 18091
7857 1 21 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.385 0.585 18091
7858 1 21 . 1 1 19 19 ASP H H 537 7.530 7.530 7.645 -0.115 18091
7859 1 21 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.201 -0.061 18091
7860 1 21 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.044 -0.295 18091
7861 1 21 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.226 -0.106 18091
7862 1 21 . 1 1 21 21 GLU N N 539 118.590 118.590 118.255 0.335 18091
7863 1 21 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.040 -0.030 18091
7864 1 21 . 1 1 21 21 GLU C C 539 179.010 179.010 179.051 -0.041 18091
7865 1 21 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.058 -0.208 18091
7866 1 21 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.218 0.122 18091
7867 1 21 . 1 1 21 21 GLU H H 539 8.200 8.200 7.928 0.272 18091
7868 1 21 . 1 1 22 22 VAL N N 540 120.690 120.690 120.366 0.324 18091
7869 1 21 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.548 -0.318 18091
7870 1 21 . 1 1 22 22 VAL C C 540 177.740 177.740 177.458 0.282 18091
7871 1 21 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.959 -0.869 18091
7872 1 21 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.497 -0.147 18091
7873 1 21 . 1 1 22 22 VAL H H 540 7.350 7.350 7.502 -0.152 18091
7874 1 21 . 1 1 23 23 ALA N N 541 121.460 121.460 122.275 -0.815 18091
7875 1 21 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.910 -0.140 18091
7876 1 21 . 1 1 23 23 ALA C C 541 179.660 179.660 179.111 0.549 18091
7877 1 21 . 1 1 23 23 ALA CA C 541 55.390 55.390 54.974 0.416 18091
7878 1 21 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.226 -0.516 18091
7879 1 21 . 1 1 23 23 ALA H H 541 8.430 8.430 7.464 0.966 18091
7880 1 21 . 1 1 24 24 ALA N N 542 117.000 117.000 120.812 -3.812 18091
7881 1 21 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.050 -0.110 18091
7882 1 21 . 1 1 24 24 ALA C C 542 180.880 180.880 179.408 1.472 18091
7883 1 21 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.837 -0.137 18091
7884 1 21 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.285 -0.334 18091
7885 1 21 . 1 1 24 24 ALA H H 542 7.380 7.380 7.481 -0.101 18091
7886 1 21 . 1 1 25 25 ILE N N 543 119.750 119.750 117.978 1.772 18091
7887 1 21 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.742 -0.052 18091
7888 1 21 . 1 1 25 25 ILE C C 543 177.450 177.450 178.383 -0.933 18091
7889 1 21 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.653 0.307 18091
7890 1 21 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.192 0.088 18091
7891 1 21 . 1 1 25 25 ILE H H 543 7.380 7.380 7.342 0.038 18091
7892 1 21 . 1 1 26 26 MET N N 544 113.830 113.830 116.633 -2.803 18091
7893 1 21 . 1 1 26 26 MET HA H 544 4.140 4.140 4.166 -0.026 18091
7894 1 21 . 1 1 26 26 MET C C 544 177.680 177.680 177.874 -0.194 18091
7895 1 21 . 1 1 26 26 MET CA C 544 55.660 55.660 57.810 -2.150 18091
7896 1 21 . 1 1 26 26 MET CB C 544 30.690 30.690 32.216 -1.526 18091
7897 1 21 . 1 1 26 26 MET H H 544 7.870 7.870 7.930 -0.060 18091
7898 1 21 . 1 1 27 27 GLN N N 545 115.210 115.210 117.488 -2.278 18091
7899 1 21 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.174 -0.094 18091
7900 1 21 . 1 1 27 27 GLN C C 545 175.170 175.170 176.112 -0.942 18091
7901 1 21 . 1 1 27 27 GLN CA C 545 55.440 55.440 57.162 -1.722 18091
7902 1 21 . 1 1 27 27 GLN CB C 545 28.990 28.990 28.835 0.155 18091
7903 1 21 . 1 1 27 27 GLN H H 545 7.340 7.340 7.696 -0.356 18091
7904 1 21 . 1 1 28 28 ASP N N 546 123.270 123.270 117.375 5.895 18091
7905 1 21 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.442 0.278 18091
7906 1 21 . 1 1 28 28 ASP C C 546 175.220 175.220 174.524 0.696 18091
7907 1 21 . 1 1 28 28 ASP CA C 546 51.340 51.340 57.134 -5.794 18091
7908 1 21 . 1 1 28 28 ASP CB C 546 42.380 42.380 38.772 3.608 18091
7909 1 21 . 1 1 28 28 ASP H H 546 7.320 7.320 8.295 -0.975 18091
7910 1 21 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.191 -0.071 18091
7911 1 21 . 1 1 29 29 PRO CA C 547 64.920 64.920 65.897 -0.977 18091
7912 1 21 . 1 1 29 29 PRO CB C 547 32.260 32.260 31.676 0.584 18091
7913 1 21 . 1 1 30 30 VAL N N 548 119.870 119.870 118.258 1.612 18091
7914 1 21 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.713 -0.133 18091
7915 1 21 . 1 1 30 30 VAL C C 548 179.010 179.010 178.274 0.736 18091
7916 1 21 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.599 -0.599 18091
7917 1 21 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.153 -0.043 18091
7918 1 21 . 1 1 30 30 VAL H H 548 8.000 8.000 8.006 -0.006 18091
7919 1 21 . 1 1 31 31 MET N N 549 118.270 118.270 118.055 0.215 18091
7920 1 21 . 1 1 31 31 MET HA H 549 4.340 4.340 4.012 0.328 18091
7921 1 21 . 1 1 31 31 MET C C 549 178.830 178.830 178.285 0.545 18091
7922 1 21 . 1 1 31 31 MET CA C 549 55.140 55.140 59.096 -3.956 18091
7923 1 21 . 1 1 31 31 MET CB C 549 28.840 28.840 32.126 -3.286 18091
7924 1 21 . 1 1 31 31 MET H H 549 7.250 7.250 7.649 -0.399 18091
7925 1 21 . 1 1 32 32 GLN N N 550 118.190 118.190 119.841 -1.651 18091
7926 1 21 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.935 -0.195 18091
7927 1 21 . 1 1 32 32 GLN C C 550 178.840 178.840 178.211 0.629 18091
7928 1 21 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.431 -0.011 18091
7929 1 21 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.597 -0.937 18091
7930 1 21 . 1 1 32 32 GLN H H 550 8.310 8.310 7.832 0.478 18091
7931 1 21 . 1 1 33 33 SER N N 551 114.010 114.010 115.335 -1.325 18091
7932 1 21 . 1 1 33 33 SER HA H 551 4.140 4.140 4.213 -0.073 18091
7933 1 21 . 1 1 33 33 SER C C 551 176.840 176.840 176.854 -0.014 18091
7934 1 21 . 1 1 33 33 SER CA C 551 61.330 61.330 61.967 -0.637 18091
7935 1 21 . 1 1 33 33 SER CB C 551 62.450 62.450 62.974 -0.523 18091
7936 1 21 . 1 1 33 33 SER H H 551 7.570 7.570 7.551 0.019 18091
7937 1 21 . 1 1 34 34 ILE N N 552 123.490 123.490 122.181 1.309 18091
7938 1 21 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.777 -0.497 18091
7939 1 21 . 1 1 34 34 ILE C C 552 177.630 177.630 178.403 -0.773 18091
7940 1 21 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.194 0.486 18091
7941 1 21 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.737 -0.017 18091
7942 1 21 . 1 1 34 34 ILE H H 552 7.600 7.600 7.523 0.077 18091
7943 1 21 . 1 1 35 35 LEU N N 553 119.520 119.520 119.731 -0.211 18091
7944 1 21 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.834 -0.084 18091
7945 1 21 . 1 1 35 35 LEU C C 553 179.440 179.440 178.919 0.521 18091
7946 1 21 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.338 -0.388 18091
7947 1 21 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.260 -0.560 18091
7948 1 21 . 1 1 35 35 LEU H H 553 8.330 8.330 8.016 0.314 18091
7949 1 21 . 1 1 36 36 GLN N N 554 118.590 118.590 118.321 0.269 18091
7950 1 21 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.862 0.058 18091
7951 1 21 . 1 1 36 36 GLN C C 554 178.560 178.560 178.541 0.019 18091
7952 1 21 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.259 -0.599 18091
7953 1 21 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.568 -0.508 18091
7954 1 21 . 1 1 36 36 GLN H H 554 7.800 7.800 7.846 -0.046 18091
7955 1 21 . 1 1 37 37 GLN N N 555 119.520 119.520 118.722 0.798 18091
7956 1 21 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.014 -0.084 18091
7957 1 21 . 1 1 37 37 GLN C C 555 178.400 178.400 178.610 -0.210 18091
7958 1 21 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.547 -0.017 18091
7959 1 21 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.689 0.101 18091
7960 1 21 . 1 1 37 37 GLN H H 555 7.990 7.990 7.896 0.094 18091
7961 1 21 . 1 1 38 38 ALA N N 556 120.730 120.730 121.055 -0.325 18091
7962 1 21 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.302 -0.192 18091
7963 1 21 . 1 1 38 38 ALA C C 556 178.310 178.310 179.934 -1.624 18091
7964 1 21 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.796 -1.296 18091
7965 1 21 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.346 0.024 18091
7966 1 21 . 1 1 38 38 ALA H H 556 8.310 8.310 8.224 0.086 18091
7967 1 21 . 1 1 39 39 GLN N N 557 115.600 115.600 118.133 -2.533 18091
7968 1 21 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.074 -0.114 18091
7969 1 21 . 1 1 39 39 GLN C C 557 177.260 177.260 178.462 -1.202 18091
7970 1 21 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.139 -0.219 18091
7971 1 21 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.314 0.166 18091
7972 1 21 . 1 1 39 39 GLN H H 557 7.530 7.530 7.733 -0.203 18091
7973 1 21 . 1 1 40 40 GLN N N 558 115.310 115.310 116.600 -1.290 18091
7974 1 21 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.231 -0.051 18091
7975 1 21 . 1 1 40 40 GLN C C 558 176.030 176.030 176.125 -0.095 18091
7976 1 21 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.287 -0.737 18091
7977 1 21 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.865 -0.545 18091
7978 1 21 . 1 1 40 40 GLN H H 558 7.350 7.350 7.635 -0.285 18091
7979 1 21 . 1 1 41 41 ASN N N 559 114.850 114.850 115.798 -0.948 18091
7980 1 21 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.080 -0.130 18091
7981 1 21 . 1 1 41 41 ASN C C 559 172.420 172.420 173.306 -0.886 18091
7982 1 21 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.021 -0.591 18091
7983 1 21 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.576 -1.696 18091
7984 1 21 . 1 1 41 41 ASN H H 559 7.900 7.900 7.925 -0.025 18091
7985 1 21 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.467 -0.137 18091
7986 1 21 . 1 1 42 42 PRO CA C 560 65.000 65.000 65.148 -0.148 18091
7987 1 21 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.005 -0.325 18091
7988 1 21 . 1 1 43 43 ALA N N 561 119.920 119.920 120.536 -0.616 18091
7989 1 21 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.156 -0.026 18091
7990 1 21 . 1 1 43 43 ALA C C 561 179.510 179.510 179.204 0.306 18091
7991 1 21 . 1 1 43 43 ALA CA C 561 54.050 54.050 53.953 0.097 18091
7992 1 21 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.031 0.019 18091
7993 1 21 . 1 1 43 43 ALA H H 561 7.850 7.850 7.982 -0.132 18091
7994 1 21 . 1 1 44 44 ALA N N 562 120.790 120.790 121.291 -0.501 18091
7995 1 21 . 1 1 44 44 ALA HA H 562 4.020 4.020 3.928 0.092 18091
7996 1 21 . 1 1 44 44 ALA C C 562 179.570 179.570 179.221 0.349 18091
7997 1 21 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.249 -1.129 18091
7998 1 21 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.631 -0.431 18091
7999 1 21 . 1 1 44 44 ALA H H 562 7.980 7.980 8.074 -0.094 18091
8000 1 21 . 1 1 45 45 LEU N N 563 116.420 116.420 115.948 0.472 18091
8001 1 21 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.438 -0.458 18091
8002 1 21 . 1 1 45 45 LEU C C 563 178.220 178.220 178.880 -0.660 18091
8003 1 21 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.120 0.520 18091
8004 1 21 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.041 0.649 18091
8005 1 21 . 1 1 45 45 LEU H H 563 7.510 7.510 7.497 0.013 18091
8006 1 21 . 1 1 46 46 GLN N N 564 115.510 115.510 120.692 -5.182 18091
8007 1 21 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.954 -0.094 18091
8008 1 21 . 1 1 46 46 GLN C C 564 178.300 178.300 177.977 0.323 18091
8009 1 21 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.300 -0.580 18091
8010 1 21 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.517 -0.497 18091
8011 1 21 . 1 1 46 46 GLN H H 564 7.510 7.510 7.676 -0.166 18091
8012 1 21 . 1 1 47 47 GLU N N 565 117.680 117.680 118.253 -0.573 18091
8013 1 21 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.947 -0.047 18091
8014 1 21 . 1 1 47 47 GLU C C 565 179.070 179.070 179.034 0.036 18091
8015 1 21 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.020 -0.640 18091
8016 1 21 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.931 0.059 18091
8017 1 21 . 1 1 47 47 GLU H H 565 7.440 7.440 7.890 -0.450 18091
8018 1 21 . 1 1 48 48 HIS N N 566 118.220 118.220 119.325 -1.105 18091
8019 1 21 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.289 0.091 18091
8020 1 21 . 1 1 48 48 HIS C C 566 177.280 177.280 176.851 0.429 18091
8021 1 21 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.656 0.204 18091
8022 1 21 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.805 1.635 18091
8023 1 21 . 1 1 48 48 HIS H H 566 7.420 7.420 7.575 -0.155 18091
8024 1 21 . 1 1 49 49 MET N N 567 115.200 115.200 117.418 -2.218 18091
8025 1 21 . 1 1 49 49 MET HA H 567 3.840 3.840 4.310 -0.470 18091
8026 1 21 . 1 1 49 49 MET C C 567 175.260 175.260 177.900 -2.640 18091
8027 1 21 . 1 1 49 49 MET CA C 567 57.840 57.840 58.491 -0.651 18091
8028 1 21 . 1 1 49 49 MET CB C 567 33.080 33.080 32.715 0.365 18091
8029 1 21 . 1 1 49 49 MET H H 567 7.710 7.710 7.839 -0.129 18091
8030 1 21 . 1 1 50 50 LYS N N 568 116.040 116.040 116.575 -0.535 18091
8031 1 21 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.039 -0.079 18091
8032 1 21 . 1 1 50 50 LYS C C 568 176.220 176.220 177.261 -1.041 18091
8033 1 21 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.632 -0.242 18091
8034 1 21 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.616 -0.396 18091
8035 1 21 . 1 1 50 50 LYS H H 568 7.140 7.140 7.573 -0.433 18091
8036 1 21 . 1 1 51 51 ASN N N 569 119.600 119.600 119.242 0.358 18091
8037 1 21 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.743 0.277 18091
8038 1 21 . 1 1 51 51 ASN C C 569 173.920 173.920 175.043 -1.123 18091
8039 1 21 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.972 -2.022 18091
8040 1 21 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.709 -0.709 18091
8041 1 21 . 1 1 51 51 ASN H H 569 7.480 7.480 7.868 -0.388 18091
8042 1 21 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.272 -0.012 18091
8043 1 21 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.947 -0.837 18091
8044 1 21 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.090 0.180 18091
8045 1 21 . 1 1 53 53 GLU N N 571 116.870 116.870 119.164 -2.294 18091
8046 1 21 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.162 -0.092 18091
8047 1 21 . 1 1 53 53 GLU C C 571 178.830 178.830 179.015 -0.185 18091
8048 1 21 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.633 -0.753 18091
8049 1 21 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.459 -0.029 18091
8050 1 21 . 1 1 53 53 GLU H H 571 7.960 7.960 8.729 -0.769 18091
8051 1 21 . 1 1 54 54 VAL N N 572 118.290 118.290 119.328 -1.038 18091
8052 1 21 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.822 -0.162 18091
8053 1 21 . 1 1 54 54 VAL C C 572 177.620 177.620 178.084 -0.464 18091
8054 1 21 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.017 -0.917 18091
8055 1 21 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.152 1.058 18091
8056 1 21 . 1 1 54 54 VAL H H 572 7.330 7.330 7.907 -0.577 18091
8057 1 21 . 1 1 55 55 PHE N N 573 121.090 121.090 122.215 -1.125 18091
8058 1 21 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.143 -0.253 18091
8059 1 21 . 1 1 55 55 PHE C C 573 176.760 176.760 176.975 -0.215 18091
8060 1 21 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.975 0.255 18091
8061 1 21 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.775 -0.155 18091
8062 1 21 . 1 1 55 55 PHE H H 573 8.700 8.700 9.014 -0.314 18091
8063 1 21 . 1 1 56 56 LYS N N 574 116.910 116.910 118.878 -1.968 18091
8064 1 21 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.694 0.096 18091
8065 1 21 . 1 1 56 56 LYS C C 574 178.980 178.980 179.123 -0.143 18091
8066 1 21 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.425 0.055 18091
8067 1 21 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.250 -0.050 18091
8068 1 21 . 1 1 56 56 LYS H H 574 7.800 7.800 7.864 -0.064 18091
8069 1 21 . 1 1 57 57 LYS N N 575 119.120 119.120 119.959 -0.839 18091
8070 1 21 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.979 -0.069 18091
8071 1 21 . 1 1 57 57 LYS C C 575 178.520 178.520 178.965 -0.445 18091
8072 1 21 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.481 0.469 18091
8073 1 21 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.387 0.673 18091
8074 1 21 . 1 1 57 57 LYS H H 575 7.170 7.170 7.299 -0.129 18091
8075 1 21 . 1 1 58 58 ILE N N 576 119.180 119.180 119.350 -0.170 18091
8076 1 21 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.639 -0.319 18091
8077 1 21 . 1 1 58 58 ILE C C 576 177.820 177.820 178.278 -0.458 18091
8078 1 21 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.346 0.184 18091
8079 1 21 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.004 -0.754 18091
8080 1 21 . 1 1 58 58 ILE H H 576 8.300 8.300 8.517 -0.217 18091
8081 1 21 . 1 1 59 59 GLN N N 577 118.000 118.000 118.226 -0.226 18091
8082 1 21 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.857 -0.187 18091
8083 1 21 . 1 1 59 59 GLN C C 577 179.250 179.250 178.636 0.614 18091
8084 1 21 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.020 0.100 18091
8085 1 21 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.309 -0.469 18091
8086 1 21 . 1 1 59 59 GLN H H 577 8.180 8.180 7.832 0.348 18091
8087 1 21 . 1 1 60 60 THR N N 578 118.670 118.670 117.008 1.662 18091
8088 1 21 . 1 1 60 60 THR HA H 578 3.760 3.760 3.919 -0.159 18091
8089 1 21 . 1 1 60 60 THR C C 578 176.060 176.060 176.495 -0.435 18091
8090 1 21 . 1 1 60 60 THR CA C 578 66.890 66.890 67.290 -0.399 18091
8091 1 21 . 1 1 60 60 THR CB C 578 68.030 68.030 68.571 -0.541 18091
8092 1 21 . 1 1 60 60 THR H H 578 7.780 7.780 7.700 0.080 18091
8093 1 21 . 1 1 61 61 LEU N N 579 120.680 120.680 120.651 0.029 18091
8094 1 21 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.993 -0.143 18091
8095 1 21 . 1 1 61 61 LEU C C 579 179.590 179.590 178.817 0.773 18091
8096 1 21 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.689 -0.039 18091
8097 1 21 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.240 -0.260 18091
8098 1 21 . 1 1 61 61 LEU H H 579 7.620 7.620 7.385 0.235 18091
8099 1 21 . 1 1 62 62 ILE N N 580 122.880 122.880 120.144 2.736 18091
8100 1 21 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.742 0.288 18091
8101 1 21 . 1 1 62 62 ILE C C 580 180.260 180.260 179.016 1.244 18091
8102 1 21 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.984 -0.254 18091
8103 1 21 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.730 0.580 18091
8104 1 21 . 1 1 62 62 ILE H H 580 8.540 8.540 7.500 1.040 18091
8105 1 21 . 1 1 63 63 ALA N N 581 124.510 124.510 122.857 1.653 18091
8106 1 21 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.065 -0.095 18091
8107 1 21 . 1 1 63 63 ALA C C 581 179.000 179.000 178.752 0.248 18091
8108 1 21 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.722 0.118 18091
8109 1 21 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.365 -0.865 18091
8110 1 21 . 1 1 63 63 ALA H H 581 8.120 8.120 8.196 -0.076 18091
8111 1 21 . 1 1 64 64 ALA N N 582 116.250 116.250 118.612 -2.362 18091
8112 1 21 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.275 -0.135 18091
8113 1 21 . 1 1 64 64 ALA C C 582 177.040 177.040 177.677 -0.637 18091
8114 1 21 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.698 0.482 18091
8115 1 21 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.841 1.019 18091
8116 1 21 . 1 1 64 64 ALA H H 582 7.470 7.470 7.521 -0.051 18091
8117 1 21 . 1 1 65 65 GLY N N 583 104.540 104.540 106.516 -1.976 18091
8118 1 21 . 1 1 65 65 GLY C C 583 174.180 174.180 175.098 -0.918 18091
8119 1 21 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.862 -1.072 18091
8120 1 21 . 1 1 65 65 GLY H H 583 7.600 7.600 7.555 0.045 18091
8121 1 21 . 1 1 66 66 ILE N N 584 118.630 118.630 117.647 0.983 18091
8122 1 21 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.112 -0.352 18091
8123 1 21 . 1 1 66 66 ILE C C 584 175.660 175.660 175.661 -0.001 18091
8124 1 21 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.510 -0.960 18091
8125 1 21 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.641 -1.031 18091
8126 1 21 . 1 1 66 66 ILE H H 584 7.590 7.590 7.669 -0.079 18091
8127 1 21 . 1 1 67 67 ILE N N 585 116.360 116.360 119.662 -3.302 18091
8128 1 21 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.298 -0.128 18091
8129 1 21 . 1 1 67 67 ILE C C 585 174.370 174.370 174.815 -0.445 18091
8130 1 21 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.119 -0.639 18091
8131 1 21 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.636 -1.006 18091
8132 1 21 . 1 1 67 67 ILE H H 585 6.490 6.490 7.310 -0.820 18091
8133 1 21 . 1 1 68 68 ARG N N 586 125.450 125.450 125.745 -0.295 18091
8134 1 21 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.610 -0.230 18091
8135 1 21 . 1 1 68 68 ARG C C 586 175.720 175.720 175.871 -0.151 18091
8136 1 21 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.035 -1.115 18091
8137 1 21 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.927 0.393 18091
8138 1 21 . 1 1 68 68 ARG H H 586 8.500 8.500 8.595 -0.095 18091
8139 1 21 . 1 1 69 69 THR N N 587 113.710 113.710 115.433 -1.723 18091
8140 1 21 . 1 1 69 69 THR HA H 587 4.300 4.300 4.534 -0.234 18091
8141 1 21 . 1 1 69 69 THR C C 587 174.760 174.760 175.382 -0.622 18091
8142 1 21 . 1 1 69 69 THR CA C 587 61.300 61.300 60.804 0.496 18091
8143 1 21 . 1 1 69 69 THR CB C 587 69.720 69.720 70.167 -0.447 18091
8144 1 21 . 1 1 69 69 THR H H 587 8.250 8.250 8.526 -0.276 18091
8145 1 21 . 1 1 70 70 GLY N N 588 110.720 110.720 111.039 -0.319 18091
8146 1 21 . 1 1 70 70 GLY C C 588 172.820 172.820 174.032 -1.212 18091
8147 1 21 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.599 0.562 18091
8148 1 21 . 1 1 70 70 GLY H H 588 8.230 8.230 8.685 -0.455 18091
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 62 1.718 0.168 1.723 18091
2 1 1 "Average Difference" HA 72 0.207 0.119 0.170 18091
3 1 1 "Average Difference" C 63 0.787 0.219 0.762 18091
4 1 1 "Average Difference" CA 69 1.016 0.394 0.944 18091
5 1 1 "Average Difference" CB 66 0.792 0.164 0.781 18091
6 1 1 "Average Difference" HN 62 0.407 0.008 0.410 18091
7 1 2 "Average Difference" N 62 1.948 0.050 1.964 18091
8 1 2 "Average Difference" HA 72 0.238 0.119 0.207 18091
9 1 2 "Average Difference" C 63 0.854 0.155 0.846 18091
10 1 2 "Average Difference" CA 69 1.011 0.422 0.926 18091
11 1 2 "Average Difference" CB 66 0.793 0.200 0.774 18091
12 1 2 "Average Difference" HN 62 0.392 0.023 0.394 18091
13 1 3 "Average Difference" N 62 1.970 0.102 1.983 18091
14 1 3 "Average Difference" HA 72 0.225 0.118 0.193 18091
15 1 3 "Average Difference" C 63 0.709 0.049 0.713 18091
16 1 3 "Average Difference" CA 69 0.947 0.423 0.853 18091
17 1 3 "Average Difference" CB 66 0.806 0.228 0.779 18091
18 1 3 "Average Difference" HN 62 0.370 0.034 0.371 18091
19 1 4 "Average Difference" N 62 1.825 0.259 1.821 18091
20 1 4 "Average Difference" HA 72 0.259 0.154 0.209 18091
21 1 4 "Average Difference" C 63 0.798 0.056 0.803 18091
22 1 4 "Average Difference" CA 69 0.926 0.381 0.850 18091
23 1 4 "Average Difference" CB 66 0.831 0.257 0.796 18091
24 1 4 "Average Difference" HN 62 0.375 0.060 0.373 18091
25 1 5 "Average Difference" N 62 1.959 0.318 1.949 18091
26 1 5 "Average Difference" HA 72 0.234 0.119 0.203 18091
27 1 5 "Average Difference" C 63 0.788 0.163 0.778 18091
28 1 5 "Average Difference" CA 69 1.156 0.478 1.061 18091
29 1 5 "Average Difference" CB 66 0.926 0.156 0.920 18091
30 1 5 "Average Difference" HN 62 0.400 0.080 0.396 18091
31 1 6 "Average Difference" N 62 1.764 0.234 1.763 18091
32 1 6 "Average Difference" HA 72 0.240 0.147 0.191 18091
33 1 6 "Average Difference" C 63 0.810 0.132 0.805 18091
34 1 6 "Average Difference" CA 69 0.939 0.337 0.883 18091
35 1 6 "Average Difference" CB 66 0.805 0.239 0.775 18091
36 1 6 "Average Difference" HN 62 0.384 0.045 0.384 18091
37 1 7 "Average Difference" N 62 1.838 0.264 1.833 18091
38 1 7 "Average Difference" HA 72 0.241 0.140 0.197 18091
39 1 7 "Average Difference" C 63 0.791 0.125 0.788 18091
40 1 7 "Average Difference" CA 69 0.897 0.303 0.850 18091
41 1 7 "Average Difference" CB 66 0.811 0.272 0.770 18091
42 1 7 "Average Difference" HN 62 0.376 0.044 0.376 18091
43 1 8 "Average Difference" N 62 1.940 0.321 1.929 18091
44 1 8 "Average Difference" HA 72 0.249 0.124 0.218 18091
45 1 8 "Average Difference" C 63 0.762 0.082 0.764 18091
46 1 8 "Average Difference" CA 69 1.129 0.464 1.037 18091
47 1 8 "Average Difference" CB 66 0.889 0.161 0.881 18091
48 1 8 "Average Difference" HN 62 0.383 0.063 0.381 18091
49 1 9 "Average Difference" N 62 1.740 0.207 1.742 18091
50 1 9 "Average Difference" HA 72 0.212 0.110 0.182 18091
51 1 9 "Average Difference" C 63 0.807 0.164 0.796 18091
52 1 9 "Average Difference" CA 69 1.027 0.455 0.928 18091
53 1 9 "Average Difference" CB 66 0.813 0.196 0.795 18091
54 1 9 "Average Difference" HN 62 0.343 0.032 0.345 18091
55 1 10 "Average Difference" N 62 1.705 0.262 1.698 18091
56 1 10 "Average Difference" HA 72 0.199 0.116 0.163 18091
57 1 10 "Average Difference" C 63 0.791 0.217 0.767 18091
58 1 10 "Average Difference" CA 69 0.960 0.367 0.894 18091
59 1 10 "Average Difference" CB 66 0.895 0.191 0.881 18091
60 1 10 "Average Difference" HN 62 0.358 0.016 0.360 18091
61 1 11 "Average Difference" N 62 1.846 0.323 1.833 18091
62 1 11 "Average Difference" HA 72 0.228 0.112 0.200 18091
63 1 11 "Average Difference" C 63 0.834 0.153 0.826 18091
64 1 11 "Average Difference" CA 69 0.986 0.397 0.909 18091
65 1 11 "Average Difference" CB 66 0.853 0.179 0.840 18091
66 1 11 "Average Difference" HN 62 0.363 0.027 0.365 18091
67 1 12 "Average Difference" N 62 1.925 0.186 1.931 18091
68 1 12 "Average Difference" HA 72 0.231 0.126 0.195 18091
69 1 12 "Average Difference" C 63 0.866 0.156 0.859 18091
70 1 12 "Average Difference" CA 69 0.907 0.388 0.825 18091
71 1 12 "Average Difference" CB 66 0.847 0.316 0.792 18091
72 1 12 "Average Difference" HN 62 0.380 0.043 0.381 18091
73 1 13 "Average Difference" N 62 1.660 0.379 1.629 18091
74 1 13 "Average Difference" HA 72 0.221 0.111 0.192 18091
75 1 13 "Average Difference" C 63 0.798 0.192 0.781 18091
76 1 13 "Average Difference" CA 69 0.981 0.398 0.903 18091
77 1 13 "Average Difference" CB 66 0.884 0.178 0.872 18091
78 1 13 "Average Difference" HN 62 0.325 0.003 0.327 18091
79 1 14 "Average Difference" N 62 1.857 0.345 1.839 18091
80 1 14 "Average Difference" HA 72 0.206 0.130 0.160 18091
81 1 14 "Average Difference" C 63 0.806 0.178 0.792 18091
82 1 14 "Average Difference" CA 69 0.896 0.349 0.832 18091
83 1 14 "Average Difference" CB 66 0.792 0.293 0.742 18091
84 1 14 "Average Difference" HN 62 0.352 0.046 0.352 18091
85 1 15 "Average Difference" N 62 1.628 0.281 1.617 18091
86 1 15 "Average Difference" HA 72 0.217 0.123 0.179 18091
87 1 15 "Average Difference" C 63 0.789 0.146 0.782 18091
88 1 15 "Average Difference" CA 69 0.899 0.345 0.836 18091
89 1 15 "Average Difference" CB 66 0.796 0.207 0.775 18091
90 1 15 "Average Difference" HN 62 0.360 0.022 0.362 18091
91 1 16 "Average Difference" N 62 1.755 0.358 1.732 18091
92 1 16 "Average Difference" HA 72 0.209 0.097 0.186 18091
93 1 16 "Average Difference" C 63 0.835 0.220 0.812 18091
94 1 16 "Average Difference" CA 69 1.140 0.428 1.065 18091
95 1 16 "Average Difference" CB 66 0.838 0.165 0.828 18091
96 1 16 "Average Difference" HN 62 0.349 0.023 0.351 18091
97 1 17 "Average Difference" N 62 1.755 0.512 1.693 18091
98 1 17 "Average Difference" HA 72 0.221 0.130 0.181 18091
99 1 17 "Average Difference" C 63 0.741 0.199 0.719 18091
100 1 17 "Average Difference" CA 69 0.865 0.323 0.809 18091
101 1 17 "Average Difference" CB 66 0.794 0.246 0.761 18091
102 1 17 "Average Difference" HN 62 0.358 0.050 0.358 18091
103 1 18 "Average Difference" N 62 1.777 0.246 1.774 18091
104 1 18 "Average Difference" HA 72 0.214 0.104 0.188 18091
105 1 18 "Average Difference" C 63 0.819 0.177 0.806 18091
106 1 18 "Average Difference" CA 69 0.975 0.343 0.920 18091
107 1 18 "Average Difference" CB 66 0.896 0.213 0.877 18091
108 1 18 "Average Difference" HN 62 0.377 0.022 0.380 18091
109 1 19 "Average Difference" N 62 1.806 0.377 1.781 18091
110 1 19 "Average Difference" HA 72 0.211 0.109 0.182 18091
111 1 19 "Average Difference" C 63 0.815 0.159 0.806 18091
112 1 19 "Average Difference" CA 69 0.914 0.348 0.851 18091
113 1 19 "Average Difference" CB 66 0.818 0.271 0.778 18091
114 1 19 "Average Difference" HN 62 0.380 0.050 0.380 18091
115 1 20 "Average Difference" N 62 1.935 0.248 1.935 18091
116 1 20 "Average Difference" HA 72 0.256 0.144 0.214 18091
117 1 20 "Average Difference" C 63 0.797 0.075 0.800 18091
118 1 20 "Average Difference" CA 69 0.917 0.333 0.860 18091
119 1 20 "Average Difference" CB 66 0.830 0.240 0.800 18091
120 1 20 "Average Difference" HN 62 0.384 0.042 0.385 18091
121 1 21 "Average Difference" N 62 2.022 0.446 1.988 18091
122 1 21 "Average Difference" HA 72 0.212 0.106 0.185 18091
123 1 21 "Average Difference" C 63 0.765 0.166 0.753 18091
124 1 21 "Average Difference" CA 69 1.141 0.523 1.021 18091
125 1 21 "Average Difference" CB 66 0.880 0.183 0.867 18091
126 1 21 "Average Difference" HN 62 0.377 0.085 0.370 18091
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 18091
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.538 -0.308 18091
2 1 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.191 0.059 18091
3 1 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.469 -0.509 18091
4 1 . 1 1 3 3 GLY N N 521 109.400 109.400 109.547 -0.147 18091
5 1 . 1 1 3 3 GLY C C 521 174.300 174.300 174.102 0.198 18091
6 1 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.971 0.209 18091
7 1 . 1 1 3 3 GLY H H 521 8.490 8.490 8.509 -0.019 18091
8 1 . 1 1 4 4 THR N N 522 112.480 112.480 112.291 0.189 18091
9 1 . 1 1 4 4 THR HA H 522 4.300 4.300 4.468 -0.168 18091
10 1 . 1 1 4 4 THR C C 522 174.690 174.690 174.509 0.181 18091
11 1 . 1 1 4 4 THR CA C 522 61.240 61.240 61.794 -0.554 18091
12 1 . 1 1 4 4 THR CB C 522 69.960 69.960 70.000 -0.040 18091
13 1 . 1 1 4 4 THR H H 522 7.860 7.860 7.963 -0.103 18091
14 1 . 1 1 5 5 SER N N 523 117.450 117.450 116.856 0.594 18091
15 1 . 1 1 5 5 SER HA H 523 3.890 3.890 4.481 -0.591 18091
16 1 . 1 1 5 5 SER C C 523 173.320 173.320 173.909 -0.589 18091
17 1 . 1 1 5 5 SER CA C 523 58.460 58.460 58.360 0.100 18091
18 1 . 1 1 5 5 SER CB C 523 63.690 63.690 64.067 -0.377 18091
19 1 . 1 1 5 5 SER H H 523 8.300 8.300 8.193 0.107 18091
20 1 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.752 -0.402 18091
21 1 . 1 1 6 6 ASN C C 524 174.670 174.670 174.449 0.221 18091
22 1 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.551 -0.491 18091
23 1 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.017 -0.307 18091
24 1 . 1 1 7 7 GLU N N 525 120.970 120.970 120.937 0.033 18091
25 1 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.456 -0.115 18091
26 1 . 1 1 7 7 GLU C C 525 176.900 176.900 175.465 1.435 18091
27 1 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.034 0.006 18091
28 1 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.496 -0.426 18091
29 1 . 1 1 7 7 GLU H H 525 7.970 7.970 8.268 -0.298 18091
30 1 . 1 1 8 8 THR N N 526 116.960 116.960 113.946 3.014 18091
31 1 . 1 1 8 8 THR HA H 526 4.540 4.540 4.468 0.072 18091
32 1 . 1 1 8 8 THR C C 526 173.410 173.410 173.809 -0.399 18091
33 1 . 1 1 8 8 THR CA C 526 60.080 60.080 60.755 -0.675 18091
34 1 . 1 1 8 8 THR CB C 526 68.500 68.500 68.226 0.274 18091
35 1 . 1 1 8 8 THR H H 526 8.630 8.630 8.331 0.299 18091
36 1 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.193 -0.003 18091
37 1 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.813 0.297 18091
38 1 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.879 -0.299 18091
39 1 . 1 1 10 10 GLU N N 528 118.610 118.610 117.455 1.155 18091
40 1 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.046 -0.066 18091
41 1 . 1 1 10 10 GLU C C 528 178.550 178.550 178.572 -0.022 18091
42 1 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.598 -0.018 18091
43 1 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.152 -0.162 18091
44 1 . 1 1 10 10 GLU H H 528 8.550 8.550 8.772 -0.222 18091
45 1 . 1 1 11 11 GLU N N 529 121.090 121.090 119.150 1.940 18091
46 1 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.122 -0.192 18091
47 1 . 1 1 11 11 GLU C C 529 179.470 179.470 178.698 0.772 18091
48 1 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.434 -0.484 18091
49 1 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.562 -0.082 18091
50 1 . 1 1 11 11 GLU H H 529 7.870 7.870 8.056 -0.186 18091
51 1 . 1 1 12 12 THR N N 530 118.050 118.050 116.850 1.200 18091
52 1 . 1 1 12 12 THR HA H 530 3.750 3.750 3.985 -0.235 18091
53 1 . 1 1 12 12 THR C C 530 175.770 175.770 176.494 -0.724 18091
54 1 . 1 1 12 12 THR CA C 530 66.320 66.320 67.153 -0.833 18091
55 1 . 1 1 12 12 THR CB C 530 68.430 68.430 68.665 -0.235 18091
56 1 . 1 1 12 12 THR H H 530 8.390 8.390 7.446 0.944 18091
57 1 . 1 1 13 13 TYR N N 531 122.280 122.280 121.017 1.263 18091
58 1 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.059 -0.239 18091
59 1 . 1 1 13 13 TYR C C 531 176.420 176.420 178.033 -1.613 18091
60 1 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.539 -0.099 18091
61 1 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.580 0.530 18091
62 1 . 1 1 13 13 TYR H H 531 8.050 8.050 7.806 0.244 18091
63 1 . 1 1 14 14 GLN N N 532 116.250 116.250 117.967 -1.717 18091
64 1 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.929 -0.239 18091
65 1 . 1 1 14 14 GLN C C 532 178.800 178.800 178.449 0.351 18091
66 1 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.985 -0.365 18091
67 1 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.419 -0.359 18091
68 1 . 1 1 14 14 GLN H H 532 8.010 8.010 7.916 0.094 18091
69 1 . 1 1 15 15 ARG N N 533 118.730 118.730 119.712 -0.982 18091
70 1 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.017 -0.097 18091
71 1 . 1 1 15 15 ARG C C 533 179.030 179.030 178.958 0.072 18091
72 1 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.006 0.134 18091
73 1 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.098 -0.298 18091
74 1 . 1 1 15 15 ARG H H 533 7.800 7.800 7.868 -0.068 18091
75 1 . 1 1 16 16 ALA N N 534 123.500 123.500 121.993 1.507 18091
76 1 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.034 -0.074 18091
77 1 . 1 1 16 16 ALA C C 534 178.860 178.860 179.799 -0.939 18091
78 1 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.790 -0.120 18091
79 1 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.336 0.394 18091
80 1 . 1 1 16 16 ALA H H 534 8.210 8.210 7.944 0.266 18091
81 1 . 1 1 17 17 MET N N 535 111.910 111.910 115.624 -3.714 18091
82 1 . 1 1 17 17 MET HA H 535 4.020 4.020 4.167 -0.147 18091
83 1 . 1 1 17 17 MET C C 535 176.890 176.890 177.389 -0.499 18091
84 1 . 1 1 17 17 MET CA C 535 55.200 55.200 57.352 -2.152 18091
85 1 . 1 1 17 17 MET CB C 535 31.110 31.110 32.080 -0.970 18091
86 1 . 1 1 17 17 MET H H 535 7.480 7.480 7.931 -0.451 18091
87 1 . 1 1 18 18 LYS N N 536 116.840 116.840 117.014 -0.174 18091
88 1 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.169 -0.179 18091
89 1 . 1 1 18 18 LYS C C 536 176.690 176.690 176.521 0.169 18091
90 1 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.008 -0.418 18091
91 1 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.519 -0.179 18091
92 1 . 1 1 18 18 LYS H H 536 7.180 7.180 7.286 -0.106 18091
93 1 . 1 1 19 19 ASP N N 537 122.680 122.680 121.158 1.522 18091
94 1 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.886 -0.086 18091
95 1 . 1 1 19 19 ASP C C 537 174.720 174.720 175.419 -0.699 18091
96 1 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.063 0.027 18091
97 1 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.440 0.530 18091
98 1 . 1 1 19 19 ASP H H 537 7.530 7.530 7.632 -0.102 18091
99 1 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.233 -0.093 18091
100 1 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.885 -0.135 18091
101 1 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.122 -0.002 18091
102 1 . 1 1 21 21 GLU N N 539 118.590 118.590 117.905 0.685 18091
103 1 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.059 -0.049 18091
104 1 . 1 1 21 21 GLU C C 539 179.010 179.010 178.968 0.042 18091
105 1 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.143 -0.293 18091
106 1 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.227 0.113 18091
107 1 . 1 1 21 21 GLU H H 539 8.200 8.200 8.029 0.171 18091
108 1 . 1 1 22 22 VAL N N 540 120.690 120.690 120.423 0.267 18091
109 1 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.554 -0.324 18091
110 1 . 1 1 22 22 VAL C C 540 177.740 177.740 177.678 0.062 18091
111 1 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.406 -0.316 18091
112 1 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.414 -0.064 18091
113 1 . 1 1 22 22 VAL H H 540 7.350 7.350 7.630 -0.280 18091
114 1 . 1 1 23 23 ALA N N 541 121.460 121.460 122.111 -0.651 18091
115 1 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.930 -0.160 18091
116 1 . 1 1 23 23 ALA C C 541 179.660 179.660 179.163 0.497 18091
117 1 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.103 0.287 18091
118 1 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.129 -0.419 18091
119 1 . 1 1 23 23 ALA H H 541 8.430 8.430 7.543 0.887 18091
120 1 . 1 1 24 24 ALA N N 542 117.000 117.000 120.970 -3.970 18091
121 1 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.068 -0.128 18091
122 1 . 1 1 24 24 ALA C C 542 180.880 180.880 179.349 1.531 18091
123 1 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.648 0.052 18091
124 1 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.453 -0.502 18091
125 1 . 1 1 24 24 ALA H H 542 7.380 7.380 7.592 -0.212 18091
126 1 . 1 1 25 25 ILE N N 543 119.750 119.750 118.050 1.700 18091
127 1 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.735 -0.045 18091
128 1 . 1 1 25 25 ILE C C 543 177.450 177.450 178.369 -0.919 18091
129 1 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.580 0.380 18091
130 1 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.161 0.119 18091
131 1 . 1 1 25 25 ILE H H 543 7.380 7.380 7.450 -0.070 18091
132 1 . 1 1 26 26 MET N N 544 113.830 113.830 117.218 -3.388 18091
133 1 . 1 1 26 26 MET HA H 544 4.140 4.140 4.101 0.039 18091
134 1 . 1 1 26 26 MET C C 544 177.680 177.680 177.709 -0.029 18091
135 1 . 1 1 26 26 MET CA C 544 55.660 55.660 58.453 -2.793 18091
136 1 . 1 1 26 26 MET CB C 544 30.690 30.690 32.589 -1.899 18091
137 1 . 1 1 26 26 MET H H 544 7.870 7.870 7.787 0.083 18091
138 1 . 1 1 27 27 GLN N N 545 115.210 115.210 115.950 -0.740 18091
139 1 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.285 -0.205 18091
140 1 . 1 1 27 27 GLN C C 545 175.170 175.170 175.609 -0.439 18091
141 1 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.132 -0.692 18091
142 1 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.246 -0.256 18091
143 1 . 1 1 27 27 GLN H H 545 7.340 7.340 7.470 -0.130 18091
144 1 . 1 1 28 28 ASP N N 546 123.270 123.270 119.129 4.141 18091
145 1 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.846 -0.126 18091
146 1 . 1 1 28 28 ASP C C 546 175.220 175.220 175.166 0.054 18091
147 1 . 1 1 28 28 ASP CA C 546 51.340 51.340 52.085 -0.745 18091
148 1 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.886 0.494 18091
149 1 . 1 1 28 28 ASP H H 546 7.320 7.320 7.960 -0.640 18091
150 1 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.353 -0.233 18091
151 1 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.288 0.632 18091
152 1 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.408 -0.148 18091
153 1 . 1 1 30 30 VAL N N 548 119.870 119.870 119.286 0.584 18091
154 1 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.658 -0.078 18091
155 1 . 1 1 30 30 VAL C C 548 179.010 179.010 177.859 1.151 18091
156 1 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.501 -0.501 18091
157 1 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.358 -0.248 18091
158 1 . 1 1 30 30 VAL H H 548 8.000 8.000 7.904 0.096 18091
159 1 . 1 1 31 31 MET N N 549 118.270 118.270 117.088 1.182 18091
160 1 . 1 1 31 31 MET HA H 549 4.340 4.340 3.969 0.371 18091
161 1 . 1 1 31 31 MET C C 549 178.830 178.830 178.207 0.623 18091
162 1 . 1 1 31 31 MET CA C 549 55.140 55.140 59.030 -3.890 18091
163 1 . 1 1 31 31 MET CB C 549 28.840 28.840 32.139 -3.299 18091
164 1 . 1 1 31 31 MET H H 549 7.250 7.250 7.695 -0.445 18091
165 1 . 1 1 32 32 GLN N N 550 118.190 118.190 119.483 -1.293 18091
166 1 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.940 -0.200 18091
167 1 . 1 1 32 32 GLN C C 550 178.840 178.840 178.332 0.508 18091
168 1 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.247 0.173 18091
169 1 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.365 -0.705 18091
170 1 . 1 1 32 32 GLN H H 550 8.310 8.310 8.102 0.208 18091
171 1 . 1 1 33 33 SER N N 551 114.010 114.010 115.655 -1.645 18091
172 1 . 1 1 33 33 SER HA H 551 4.140 4.140 4.198 -0.058 18091
173 1 . 1 1 33 33 SER C C 551 176.840 176.840 176.749 0.091 18091
174 1 . 1 1 33 33 SER CA C 551 61.330 61.330 61.875 -0.545 18091
175 1 . 1 1 33 33 SER CB C 551 62.450 62.450 63.003 -0.553 18091
176 1 . 1 1 33 33 SER H H 551 7.570 7.570 7.618 -0.048 18091
177 1 . 1 1 34 34 ILE N N 552 123.490 123.490 122.559 0.931 18091
178 1 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.582 -0.302 18091
179 1 . 1 1 34 34 ILE C C 552 177.630 177.630 177.935 -0.305 18091
180 1 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.057 0.623 18091
181 1 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.460 0.260 18091
182 1 . 1 1 34 34 ILE H H 552 7.600 7.600 7.503 0.097 18091
183 1 . 1 1 35 35 LEU N N 553 119.520 119.520 119.506 0.014 18091
184 1 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.802 -0.052 18091
185 1 . 1 1 35 35 LEU C C 553 179.440 179.440 179.143 0.297 18091
186 1 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.110 -0.160 18091
187 1 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.245 -0.545 18091
188 1 . 1 1 35 35 LEU H H 553 8.330 8.330 7.799 0.531 18091
189 1 . 1 1 36 36 GLN N N 554 118.590 118.590 118.082 0.508 18091
190 1 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.945 -0.025 18091
191 1 . 1 1 36 36 GLN C C 554 178.560 178.560 178.763 -0.203 18091
192 1 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.034 -0.374 18091
193 1 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.490 -0.430 18091
194 1 . 1 1 36 36 GLN H H 554 7.800 7.800 7.827 -0.027 18091
195 1 . 1 1 37 37 GLN N N 555 119.520 119.520 118.974 0.546 18091
196 1 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.079 -0.149 18091
197 1 . 1 1 37 37 GLN C C 555 178.400 178.400 178.510 -0.110 18091
198 1 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.610 -0.080 18091
199 1 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.629 0.161 18091
200 1 . 1 1 37 37 GLN H H 555 7.990 7.990 8.030 -0.040 18091
201 1 . 1 1 38 38 ALA N N 556 120.730 120.730 121.150 -0.420 18091
202 1 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.344 -0.234 18091
203 1 . 1 1 38 38 ALA C C 556 178.310 178.310 179.656 -1.346 18091
204 1 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.680 -1.180 18091
205 1 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.340 0.030 18091
206 1 . 1 1 38 38 ALA H H 556 8.310 8.310 8.109 0.201 18091
207 1 . 1 1 39 39 GLN N N 557 115.600 115.600 117.983 -2.383 18091
208 1 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.040 -0.080 18091
209 1 . 1 1 39 39 GLN C C 557 177.260 177.260 178.546 -1.286 18091
210 1 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.273 -0.353 18091
211 1 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.613 -0.133 18091
212 1 . 1 1 39 39 GLN H H 557 7.530 7.530 7.748 -0.218 18091
213 1 . 1 1 40 40 GLN N N 558 115.310 115.310 116.835 -1.525 18091
214 1 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.168 0.012 18091
215 1 . 1 1 40 40 GLN C C 558 176.030 176.030 176.343 -0.313 18091
216 1 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.546 -0.996 18091
217 1 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.865 -0.545 18091
218 1 . 1 1 40 40 GLN H H 558 7.350 7.350 7.622 -0.272 18091
219 1 . 1 1 41 41 ASN N N 559 114.850 114.850 115.298 -0.448 18091
220 1 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.068 -0.118 18091
221 1 . 1 1 41 41 ASN C C 559 172.420 172.420 173.309 -0.889 18091
222 1 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.435 -1.005 18091
223 1 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.986 -2.106 18091
224 1 . 1 1 41 41 ASN H H 559 7.900 7.900 8.014 -0.114 18091
225 1 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.537 -0.207 18091
226 1 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.826 0.174 18091
227 1 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.190 -0.510 18091
228 1 . 1 1 43 43 ALA N N 561 119.920 119.920 120.657 -0.737 18091
229 1 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.206 -0.076 18091
230 1 . 1 1 43 43 ALA C C 561 179.510 179.510 178.928 0.582 18091
231 1 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.257 -0.207 18091
232 1 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.172 -0.122 18091
233 1 . 1 1 43 43 ALA H H 561 7.850 7.850 7.736 0.114 18091
234 1 . 1 1 44 44 ALA N N 562 120.790 120.790 121.419 -0.629 18091
235 1 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.164 -0.144 18091
236 1 . 1 1 44 44 ALA C C 562 179.570 179.570 179.525 0.045 18091
237 1 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.023 -0.903 18091
238 1 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.555 -0.355 18091
239 1 . 1 1 44 44 ALA H H 562 7.980 7.980 7.780 0.200 18091
240 1 . 1 1 45 45 LEU N N 563 116.420 116.420 116.739 -0.319 18091
241 1 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.384 -0.404 18091
242 1 . 1 1 45 45 LEU C C 563 178.220 178.220 178.751 -0.531 18091
243 1 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.946 0.694 18091
244 1 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.733 0.957 18091
245 1 . 1 1 45 45 LEU H H 563 7.510 7.510 7.692 -0.182 18091
246 1 . 1 1 46 46 GLN N N 564 115.510 115.510 120.018 -4.508 18091
247 1 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.950 -0.090 18091
248 1 . 1 1 46 46 GLN C C 564 178.300 178.300 178.268 0.032 18091
249 1 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.368 -0.648 18091
250 1 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.504 -0.484 18091
251 1 . 1 1 46 46 GLN H H 564 7.510 7.510 7.848 -0.338 18091
252 1 . 1 1 47 47 GLU N N 565 117.680 117.680 118.171 -0.491 18091
253 1 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.956 -0.056 18091
254 1 . 1 1 47 47 GLU C C 565 179.070 179.070 179.152 -0.082 18091
255 1 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.950 -0.570 18091
256 1 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.012 -0.023 18091
257 1 . 1 1 47 47 GLU H H 565 7.440 7.440 7.852 -0.412 18091
258 1 . 1 1 48 48 HIS N N 566 118.220 118.220 119.436 -1.216 18091
259 1 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.339 0.041 18091
260 1 . 1 1 48 48 HIS C C 566 177.280 177.280 177.277 0.003 18091
261 1 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.042 -0.182 18091
262 1 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.802 1.638 18091
263 1 . 1 1 48 48 HIS H H 566 7.420 7.420 7.518 -0.098 18091
264 1 . 1 1 49 49 MET N N 567 115.200 115.200 117.905 -2.705 18091
265 1 . 1 1 49 49 MET HA H 567 3.840 3.840 4.311 -0.471 18091
266 1 . 1 1 49 49 MET C C 567 175.260 175.260 177.712 -2.452 18091
267 1 . 1 1 49 49 MET CA C 567 57.840 57.840 58.609 -0.769 18091
268 1 . 1 1 49 49 MET CB C 567 33.080 33.080 32.803 0.277 18091
269 1 . 1 1 49 49 MET H H 567 7.710 7.710 7.908 -0.198 18091
270 1 . 1 1 50 50 LYS N N 568 116.040 116.040 116.386 -0.346 18091
271 1 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.051 -0.091 18091
272 1 . 1 1 50 50 LYS C C 568 176.220 176.220 177.079 -0.859 18091
273 1 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.524 -0.134 18091
274 1 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.413 -0.193 18091
275 1 . 1 1 50 50 LYS H H 568 7.140 7.140 7.561 -0.421 18091
276 1 . 1 1 51 51 ASN N N 569 119.600 119.600 118.679 0.921 18091
277 1 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.790 0.230 18091
278 1 . 1 1 51 51 ASN C C 569 173.920 173.920 175.183 -1.263 18091
279 1 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.854 -1.904 18091
280 1 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.781 -0.781 18091
281 1 . 1 1 51 51 ASN H H 569 7.480 7.480 7.577 -0.097 18091
282 1 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.314 -0.054 18091
283 1 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.797 -0.687 18091
284 1 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.098 0.172 18091
285 1 . 1 1 53 53 GLU N N 571 116.870 116.870 118.887 -2.017 18091
286 1 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.162 -0.092 18091
287 1 . 1 1 53 53 GLU C C 571 178.830 178.830 178.941 -0.111 18091
288 1 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.514 -0.634 18091
289 1 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.496 -0.066 18091
290 1 . 1 1 53 53 GLU H H 571 7.960 7.960 8.541 -0.581 18091
291 1 . 1 1 54 54 VAL N N 572 118.290 118.290 119.316 -1.026 18091
292 1 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.808 -0.148 18091
293 1 . 1 1 54 54 VAL C C 572 177.620 177.620 177.841 -0.221 18091
294 1 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.703 -0.603 18091
295 1 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.514 0.696 18091
296 1 . 1 1 54 54 VAL H H 572 7.330 7.330 7.807 -0.477 18091
297 1 . 1 1 55 55 PHE N N 573 121.090 121.090 122.025 -0.935 18091
298 1 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.100 -0.210 18091
299 1 . 1 1 55 55 PHE C C 573 176.760 176.760 176.999 -0.239 18091
300 1 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.973 0.257 18091
301 1 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.886 -0.266 18091
302 1 . 1 1 55 55 PHE H H 573 8.700 8.700 8.750 -0.050 18091
303 1 . 1 1 56 56 LYS N N 574 116.910 116.910 118.890 -1.980 18091
304 1 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.751 0.039 18091
305 1 . 1 1 56 56 LYS C C 574 178.980 178.980 178.915 0.065 18091
306 1 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.591 -0.111 18091
307 1 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.298 -0.098 18091
308 1 . 1 1 56 56 LYS H H 574 7.800 7.800 7.826 -0.026 18091
309 1 . 1 1 57 57 LYS N N 575 119.120 119.120 119.471 -0.351 18091
310 1 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.997 -0.087 18091
311 1 . 1 1 57 57 LYS C C 575 178.520 178.520 179.089 -0.569 18091
312 1 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.498 0.452 18091
313 1 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.395 0.665 18091
314 1 . 1 1 57 57 LYS H H 575 7.170 7.170 7.277 -0.107 18091
315 1 . 1 1 58 58 ILE N N 576 119.180 119.180 119.220 -0.040 18091
316 1 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.722 -0.402 18091
317 1 . 1 1 58 58 ILE C C 576 177.820 177.820 178.337 -0.517 18091
318 1 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.106 0.424 18091
319 1 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.981 -0.731 18091
320 1 . 1 1 58 58 ILE H H 576 8.300 8.300 8.484 -0.184 18091
321 1 . 1 1 59 59 GLN N N 577 118.000 118.000 118.390 -0.390 18091
322 1 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.796 -0.126 18091
323 1 . 1 1 59 59 GLN C C 577 179.250 179.250 178.458 0.792 18091
324 1 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.253 -0.133 18091
325 1 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.271 -0.430 18091
326 1 . 1 1 59 59 GLN H H 577 8.180 8.180 7.790 0.390 18091
327 1 . 1 1 60 60 THR N N 578 118.670 118.670 117.063 1.607 18091
328 1 . 1 1 60 60 THR HA H 578 3.760 3.760 3.922 -0.162 18091
329 1 . 1 1 60 60 THR C C 578 176.060 176.060 176.485 -0.425 18091
330 1 . 1 1 60 60 THR CA C 578 66.890 66.890 67.071 -0.181 18091
331 1 . 1 1 60 60 THR CB C 578 68.030 68.030 68.447 -0.417 18091
332 1 . 1 1 60 60 THR H H 578 7.780 7.780 7.637 0.143 18091
333 1 . 1 1 61 61 LEU N N 579 120.680 120.680 120.625 0.055 18091
334 1 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.995 -0.145 18091
335 1 . 1 1 61 61 LEU C C 579 179.590 179.590 178.657 0.933 18091
336 1 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.672 -0.022 18091
337 1 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.343 -0.363 18091
338 1 . 1 1 61 61 LEU H H 579 7.620 7.620 7.355 0.265 18091
339 1 . 1 1 62 62 ILE N N 580 122.880 122.880 120.499 2.381 18091
340 1 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.788 0.242 18091
341 1 . 1 1 62 62 ILE C C 580 180.260 180.260 179.065 1.195 18091
342 1 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.985 -0.255 18091
343 1 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.696 0.614 18091
344 1 . 1 1 62 62 ILE H H 580 8.540 8.540 7.548 0.992 18091
345 1 . 1 1 63 63 ALA N N 581 124.510 124.510 122.909 1.601 18091
346 1 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.040 -0.070 18091
347 1 . 1 1 63 63 ALA C C 581 179.000 179.000 178.702 0.298 18091
348 1 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.730 0.110 18091
349 1 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.274 -0.774 18091
350 1 . 1 1 63 63 ALA H H 581 8.120 8.120 8.091 0.029 18091
351 1 . 1 1 64 64 ALA N N 582 116.250 116.250 118.389 -2.139 18091
352 1 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.237 -0.097 18091
353 1 . 1 1 64 64 ALA C C 582 177.040 177.040 177.735 -0.695 18091
354 1 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.891 0.289 18091
355 1 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.026 0.834 18091
356 1 . 1 1 64 64 ALA H H 582 7.470 7.470 7.466 0.004 18091
357 1 . 1 1 65 65 GLY N N 583 104.540 104.540 106.386 -1.846 18091
358 1 . 1 1 65 65 GLY C C 583 174.180 174.180 175.096 -0.916 18091
359 1 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.918 -1.128 18091
360 1 . 1 1 65 65 GLY H H 583 7.600 7.600 7.692 -0.092 18091
361 1 . 1 1 66 66 ILE N N 584 118.630 118.630 117.747 0.883 18091
362 1 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.968 -0.208 18091
363 1 . 1 1 66 66 ILE C C 584 175.660 175.660 175.489 0.171 18091
364 1 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.468 -0.918 18091
365 1 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.650 -1.040 18091
366 1 . 1 1 66 66 ILE H H 584 7.590 7.590 7.759 -0.169 18091
367 1 . 1 1 67 67 ILE N N 585 116.360 116.360 118.844 -2.484 18091
368 1 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.326 -0.156 18091
369 1 . 1 1 67 67 ILE C C 585 174.370 174.370 174.822 -0.452 18091
370 1 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.137 -0.657 18091
371 1 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.657 -1.027 18091
372 1 . 1 1 67 67 ILE H H 585 6.490 6.490 7.311 -0.821 18091
373 1 . 1 1 68 68 ARG N N 586 125.450 125.450 125.210 0.240 18091
374 1 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.521 -0.141 18091
375 1 . 1 1 68 68 ARG C C 586 175.720 175.720 176.024 -0.304 18091
376 1 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.220 -1.300 18091
377 1 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.489 0.831 18091
378 1 . 1 1 68 68 ARG H H 586 8.500 8.500 8.679 -0.179 18091
379 1 . 1 1 69 69 THR N N 587 113.710 113.710 114.396 -0.686 18091
380 1 . 1 1 69 69 THR HA H 587 4.300 4.300 4.485 -0.185 18091
381 1 . 1 1 69 69 THR C C 587 174.760 174.760 174.921 -0.161 18091
382 1 . 1 1 69 69 THR CA C 587 61.300 61.300 61.782 -0.482 18091
383 1 . 1 1 69 69 THR CB C 587 69.720 69.720 69.844 -0.124 18091
384 1 . 1 1 69 69 THR H H 587 8.250 8.250 8.345 -0.095 18091
385 1 . 1 1 70 70 GLY N N 588 110.720 110.720 110.711 0.009 18091
386 1 . 1 1 70 70 GLY C C 588 172.820 172.820 173.619 -0.799 18091
387 1 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.788 0.372 18091
388 1 . 1 1 70 70 GLY H H 588 8.230 8.230 8.435 -0.205 18091
stop_
save_