Content for NMR-STAR saveframe, "6_m_urea_chemical_shifts"
save_6_m_urea_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 6_m_urea_chemical_shifts
_Assigned_chem_shift_list.Entry_ID 17513
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_urea
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
10 '2D 1H-15N HSQC' 1 $0.5mM isotropic 17513 2
11 '3D HNCA' 2 $urea isotropic 17513 2
12 '3D HNCO' 1 $0.5mM isotropic 17513 2
13 '3D HNCACO' 1 $0.5mM isotropic 17513 2
14 '3D CBCA(CO)NH' 1 $0.5mM isotropic 17513 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 9 9 GLU C C 13 176.217 . . 1 . 575 . . 9 GLU C . 17513 2
2 . 1 1 9 9 GLU CA C 13 56.283 . . 1 . 573 . . 9 GLU CA . 17513 2
3 . 1 1 9 9 GLU CB C 13 30.468 . . 1 . 574 . . 9 GLU CB . 17513 2
4 . 1 1 10 10 LEU H H 1 8.560 0.002 . 1 . 25 . . 10 LEU H . 17513 2
5 . 1 1 10 10 LEU C C 13 177.321 0.002 . 1 . 480 . . 10 LEU C . 17513 2
6 . 1 1 10 10 LEU CA C 13 54.984 0.003 . 1 . 481 . . 10 LEU CA . 17513 2
7 . 1 1 10 10 LEU CB C 13 42.196 0.004 . 1 . 482 . . 10 LEU CB . 17513 2
8 . 1 1 10 10 LEU N N 15 124.530 0.054 . 1 . 26 . . 10 LEU N . 17513 2
9 . 1 1 11 11 LYS H H 1 8.610 0.004 . 1 . 478 . . 11 LYS H . 17513 2
10 . 1 1 11 11 LYS C C 13 176.366 0.001 . 1 . 428 . . 11 LYS C . 17513 2
11 . 1 1 11 11 LYS CA C 13 56.310 0.023 . 1 . 429 . . 11 LYS CA . 17513 2
12 . 1 1 11 11 LYS CB C 13 33.179 0.06 . 1 . 564 . . 11 LYS CB . 17513 2
13 . 1 1 11 11 LYS N N 15 123.132 0.048 . 1 . 479 . . 11 LYS N . 17513 2
14 . 1 1 12 12 ASN H H 1 8.674 0.004 . 1 . 105 . . 12 ASN H . 17513 2
15 . 1 1 12 12 ASN C C 13 175.214 0.001 . 1 . 378 . . 12 ASN C . 17513 2
16 . 1 1 12 12 ASN CA C 13 53.141 0.053 . 1 . 376 . . 12 ASN CA . 17513 2
17 . 1 1 12 12 ASN CB C 13 38.982 0.025 . 1 . 373 . . 12 ASN CB . 17513 2
18 . 1 1 12 12 ASN N N 15 120.453 0.052 . 1 . 106 . . 12 ASN N . 17513 2
19 . 1 1 13 13 SER H H 1 8.466 0.001 . 1 . 123 . . 13 SER H . 17513 2
20 . 1 1 13 13 SER C C 13 174.511 0.005 . 1 . 273 . . 13 SER C . 17513 2
21 . 1 1 13 13 SER CA C 13 58.271 0.024 . 1 . 272 . . 13 SER CA . 17513 2
22 . 1 1 13 13 SER CB C 13 63.827 0.021 . 1 . 275 . . 13 SER CB . 17513 2
23 . 1 1 13 13 SER N N 15 116.681 0.041 . 1 . 124 . . 13 SER N . 17513 2
24 . 1 1 14 14 ILE H H 1 8.363 0.004 . 1 . 379 . . 14 ILE H . 17513 2
25 . 1 1 14 14 ILE C C 13 176.305 0.044 . 1 . 387 . . 14 ILE C . 17513 2
26 . 1 1 14 14 ILE CA C 13 61.244 0.009 . 1 . 391 . . 14 ILE CA . 17513 2
27 . 1 1 14 14 ILE CB C 13 38.828 0.024 . 1 . 381 . . 14 ILE CB . 17513 2
28 . 1 1 14 14 ILE N N 15 122.664 0.045 . 1 . 380 . . 14 ILE N . 17513 2
29 . 1 1 15 15 SER H H 1 8.426 0.022 . 1 . 56 . . 15 SER H . 17513 2
30 . 1 1 15 15 SER C C 13 174.095 . . 1 . 388 . . 15 SER C . 17513 2
31 . 1 1 15 15 SER CA C 13 58.286 0.003 . 1 . 390 . . 15 SER CA . 17513 2
32 . 1 1 15 15 SER CB C 13 63.863 0.023 . 1 . 389 . . 15 SER CB . 17513 2
33 . 1 1 15 15 SER N N 15 119.942 0.943 . 1 . 57 . . 15 SER N . 17513 2
34 . 1 1 16 16 ASP H H 1 8.402 0.003 . 1 . 392 . . 16 ASP H . 17513 2
35 . 1 1 16 16 ASP C C 13 175.840 0.008 . 1 . 347 . . 16 ASP C . 17513 2
36 . 1 1 16 16 ASP CA C 13 54.318 0.015 . 1 . 345 . . 16 ASP CA . 17513 2
37 . 1 1 16 16 ASP CB C 13 41.151 0.023 . 1 . 350 . . 16 ASP CB . 17513 2
38 . 1 1 16 16 ASP N N 15 122.771 0.046 . 1 . 393 . . 16 ASP N . 17513 2
39 . 1 1 17 17 TYR H H 1 8.238 0.003 . 1 . 395 . . 17 TYR H . 17513 2
40 . 1 1 17 17 TYR C C 13 175.869 0.019 . 1 . 398 . . 17 TYR C . 17513 2
41 . 1 1 17 17 TYR CA C 13 58.083 0.027 . 1 . 394 . . 17 TYR CA . 17513 2
42 . 1 1 17 17 TYR CB C 13 38.709 0.037 . 1 . 397 . . 17 TYR CB . 17513 2
43 . 1 1 17 17 TYR N N 15 120.918 0.087 . 1 . 396 . . 17 TYR N . 17513 2
44 . 1 1 18 18 THR H H 1 8.180 0.001 . 1 . 121 . . 18 THR H . 17513 2
45 . 1 1 18 18 THR C C 13 174.154 0.008 . 1 . 344 . . 18 THR C . 17513 2
46 . 1 1 18 18 THR CA C 13 61.778 0.014 . 1 . 341 . . 18 THR CA . 17513 2
47 . 1 1 18 18 THR CB C 13 69.994 0.052 . 1 . 342 . . 18 THR CB . 17513 2
48 . 1 1 18 18 THR N N 15 117.187 0.038 . 1 . 122 . . 18 THR N . 17513 2
49 . 1 1 19 19 GLU H H 1 8.451 0.001 . 1 . 339 . . 19 GLU H . 17513 2
50 . 1 1 19 19 GLU C C 13 176.195 0.002 . 1 . 343 . . 19 GLU C . 17513 2
51 . 1 1 19 19 GLU CA C 13 56.506 0.0 . 1 . 338 . . 19 GLU CA . 17513 2
52 . 1 1 19 19 GLU CB C 13 30.306 . . 1 . 587 . . 19 GLU CB . 17513 2
53 . 1 1 19 19 GLU N N 15 123.709 0.041 . 1 . 340 . . 19 GLU N . 17513 2
54 . 1 1 20 20 ALA H H 1 8.375 0.001 . 1 . 21 . . 20 ALA H . 17513 2
55 . 1 1 20 20 ALA C C 13 177.680 0.004 . 1 . 336 . . 20 ALA C . 17513 2
56 . 1 1 20 20 ALA CA C 13 52.710 0.004 . 1 . 333 . . 20 ALA CA . 17513 2
57 . 1 1 20 20 ALA CB C 13 19.273 0.016 . 1 . 331 . . 20 ALA CB . 17513 2
58 . 1 1 20 20 ALA N N 15 125.105 0.036 . 1 . 22 . . 20 ALA N . 17513 2
59 . 1 1 21 21 GLU H H 1 8.420 0.001 . 1 . 109 . . 21 GLU H . 17513 2
60 . 1 1 21 21 GLU C C 13 176.184 0.002 . 1 . 335 . . 21 GLU C . 17513 2
61 . 1 1 21 21 GLU CA C 13 56.726 0.011 . 1 . 334 . . 21 GLU CA . 17513 2
62 . 1 1 21 21 GLU CB C 13 30.425 0.005 . 1 . 332 . . 21 GLU CB . 17513 2
63 . 1 1 21 21 GLU N N 15 120.243 0.043 . 1 . 110 . . 21 GLU N . 17513 2
64 . 1 1 22 22 PHE H H 1 8.353 0.002 . 1 . 71 . . 22 PHE H . 17513 2
65 . 1 1 22 22 PHE C C 13 175.396 0.002 . 1 . 351 . . 22 PHE C . 17513 2
66 . 1 1 22 22 PHE CA C 13 57.706 . . 1 . 534 . . 22 PHE CA . 17513 2
67 . 1 1 22 22 PHE CB C 13 39.614 . . 1 . 567 . . 22 PHE CB . 17513 2
68 . 1 1 22 22 PHE N N 15 121.780 0.047 . 1 . 72 . . 22 PHE N . 17513 2
69 . 1 1 23 23 VAL H H 1 8.156 0.006 . 1 . 27 . . 23 VAL H . 17513 2
70 . 1 1 23 23 VAL C C 13 175.667 . . 1 . 571 . . 23 VAL C . 17513 2
71 . 1 1 23 23 VAL CA C 13 62.163 . . 1 . 570 . . 23 VAL CA . 17513 2
72 . 1 1 23 23 VAL CB C 13 32.894 . . 1 . 566 . . 23 VAL CB . 17513 2
73 . 1 1 23 23 VAL N N 15 124.088 0.12 . 1 . 28 . . 23 VAL N . 17513 2
74 . 1 1 24 24 GLN H H 1 8.493 0.001 . 1 . 19 . . 24 GLN H . 17513 2
75 . 1 1 24 24 GLN C C 13 175.577 0.005 . 1 . 357 . . 24 GLN C . 17513 2
76 . 1 1 24 24 GLN CA C 13 55.691 0.023 . 1 . 358 . . 24 GLN CA . 17513 2
77 . 1 1 24 24 GLN CB C 13 29.496 0.054 . 1 . 359 . . 24 GLN CB . 17513 2
78 . 1 1 24 24 GLN N N 15 125.191 0.046 . 1 . 20 . . 24 GLN N . 17513 2
79 . 1 1 25 25 ALA H H 1 8.510 0.001 . 1 . 9 . . 25 ALA H . 17513 2
80 . 1 1 25 25 ALA C C 13 177.417 0.003 . 1 . 330 . . 25 ALA C . 17513 2
81 . 1 1 25 25 ALA CA C 13 52.341 0.036 . 1 . 326 . . 25 ALA CA . 17513 2
82 . 1 1 25 25 ALA CB C 13 19.264 . . 1 . 327 . . 25 ALA CB . 17513 2
83 . 1 1 25 25 ALA N N 15 126.507 0.045 . 1 . 10 . . 25 ALA N . 17513 2
84 . 1 1 26 26 ALA H H 1 8.415 0.008 . 1 . 360 . . 26 ALA H . 17513 2
85 . 1 1 26 26 ALA C C 13 177.812 0.0 . 1 . 362 . . 26 ALA C . 17513 2
86 . 1 1 26 26 ALA CA C 13 52.343 0.042 . 1 . 367 . . 26 ALA CA . 17513 2
87 . 1 1 26 26 ALA CB C 13 19.214 0.065 . 1 . 363 . . 26 ALA CB . 17513 2
88 . 1 1 26 26 ALA N N 15 123.909 0.15 . 1 . 361 . . 26 ALA N . 17513 2
89 . 1 1 27 27 LYS H H 1 8.430 0.003 . 1 . 364 . . 27 LYS H . 17513 2
90 . 1 1 27 27 LYS C C 13 176.654 0.006 . 1 . 369 . . 27 LYS C . 17513 2
91 . 1 1 27 27 LYS CA C 13 56.356 0.112 . 1 . 368 . . 27 LYS CA . 17513 2
92 . 1 1 27 27 LYS CB C 13 33.255 0.106 . 1 . 366 . . 27 LYS CB . 17513 2
93 . 1 1 27 27 LYS N N 15 121.358 0.037 . 1 . 365 . . 27 LYS N . 17513 2
94 . 1 1 28 28 GLU H H 1 8.589 0.005 . 1 . 546 . . 28 GLU H . 17513 2
95 . 1 1 28 28 GLU C C 13 176.428 0.002 . 1 . 548 . . 28 GLU C . 17513 2
96 . 1 1 28 28 GLU CA C 13 56.332 0.065 . 1 . 550 . . 28 GLU CA . 17513 2
97 . 1 1 28 28 GLU CB C 13 30.425 0.049 . 1 . 551 . . 28 GLU CB . 17513 2
98 . 1 1 28 28 GLU N N 15 122.961 0.118 . 1 . 547 . . 28 GLU N . 17513 2
99 . 1 1 29 29 ILE H H 1 8.353 0.002 . 1 . 487 . . 29 ILE H . 17513 2
100 . 1 1 29 29 ILE C C 13 176.237 0.025 . 1 . 552 . . 29 ILE C . 17513 2
101 . 1 1 29 29 ILE CA C 13 61.091 . . 1 . 588 . . 29 ILE CA . 17513 2
102 . 1 1 29 29 ILE CB C 13 38.815 0.028 . 1 . 558 . . 29 ILE CB . 17513 2
103 . 1 1 29 29 ILE N N 15 122.634 0.051 . 1 . 488 . . 29 ILE N . 17513 2
104 . 1 1 30 30 GLU H H 1 8.624 0.001 . 1 . 13 . . 30 GLU H . 17513 2
105 . 1 1 30 30 GLU C C 13 176.402 0.005 . 1 . 232 . . 30 GLU C . 17513 2
106 . 1 1 30 30 GLU CA C 13 56.519 . . 1 . 231 . . 30 GLU CA . 17513 2
107 . 1 1 30 30 GLU CB C 13 30.256 0.022 . 1 . 230 . . 30 GLU CB . 17513 2
108 . 1 1 30 30 GLU N N 15 125.833 0.042 . 1 . 14 . . 30 GLU N . 17513 2
109 . 1 1 31 31 LYS H H 1 8.508 0.002 . 1 . 41 . . 31 LYS H . 17513 2
110 . 1 1 31 31 LYS C C 13 176.504 0.028 . 1 . 234 . . 31 LYS C . 17513 2
111 . 1 1 31 31 LYS CA C 13 56.501 . . 1 . 444 . . 31 LYS CA . 17513 2
112 . 1 1 31 31 LYS CB C 13 33.332 0.021 . 1 . 233 . . 31 LYS CB . 17513 2
113 . 1 1 31 31 LYS N N 15 123.361 0.038 . 1 . 42 . . 31 LYS N . 17513 2
114 . 1 1 32 32 GLU H H 1 8.631 0.002 . 1 . 440 . . 32 GLU H . 17513 2
115 . 1 1 32 32 GLU C C 13 176.171 0.005 . 1 . 446 . . 32 GLU C . 17513 2
116 . 1 1 32 32 GLU CA C 13 56.501 . . 1 . 445 . . 32 GLU CA . 17513 2
117 . 1 1 32 32 GLU CB C 13 30.445 0.046 . 1 . 576 . . 32 GLU CB . 17513 2
118 . 1 1 32 32 GLU N N 15 122.322 0.061 . 1 . 443 . . 32 GLU N . 17513 2
119 . 1 1 33 33 ASN H H 1 8.708 0.016 . 1 . 430 . . 33 ASN H . 17513 2
120 . 1 1 33 33 ASN C C 13 175.628 0.548 . 1 . 251 . . 33 ASN C . 17513 2
121 . 1 1 33 33 ASN CA C 13 53.086 0.041 . 1 . 250 . . 33 ASN CA . 17513 2
122 . 1 1 33 33 ASN CB C 13 38.757 0.049 . 1 . 253 . . 33 ASN CB . 17513 2
123 . 1 1 33 33 ASN N N 15 121.372 0.856 . 1 . 295 . . 33 ASN N . 17513 2
124 . 1 1 34 34 VAL H H 1 8.223 0.002 . 1 . 91 . . 34 VAL H . 17513 2
125 . 1 1 34 34 VAL C C 13 175.719 . . 1 . 585 . . 34 VAL C . 17513 2
126 . 1 1 34 34 VAL CA C 13 62.046 0.006 . 1 . 157 . . 34 VAL CA . 17513 2
127 . 1 1 34 34 VAL CB C 13 32.894 0.0 . 1 . 160 . . 34 VAL CB . 17513 2
128 . 1 1 34 34 VAL N N 15 121.134 0.045 . 1 . 92 . . 34 VAL N . 17513 2
129 . 1 1 35 35 ALA H H 1 8.481 0.001 . 1 . 3 . . 35 ALA H . 17513 2
130 . 1 1 35 35 ALA C C 13 177.422 0.001 . 1 . 161 . . 35 ALA C . 17513 2
131 . 1 1 35 35 ALA CA C 13 52.281 . . 1 . 159 . . 35 ALA CA . 17513 2
132 . 1 1 35 35 ALA CB C 13 19.286 0.026 . 1 . 158 . . 35 ALA CB . 17513 2
133 . 1 1 35 35 ALA N N 15 128.038 0.049 . 1 . 4 . . 35 ALA N . 17513 2
134 . 1 1 36 36 ALA H H 1 8.432 0.004 . 1 . 29 . . 36 ALA H . 17513 2
135 . 1 1 36 36 ALA C C 13 177.965 0.004 . 1 . 164 . . 36 ALA C . 17513 2
136 . 1 1 36 36 ALA CA C 13 52.491 . . 1 . 166 . . 36 ALA CA . 17513 2
137 . 1 1 36 36 ALA CB C 13 19.221 0.04 . 1 . 165 . . 36 ALA CB . 17513 2
138 . 1 1 36 36 ALA N N 15 124.211 0.032 . 1 . 30 . . 36 ALA N . 17513 2
139 . 1 1 37 37 THR H H 1 8.203 0.001 . 1 . 137 . . 37 THR H . 17513 2
140 . 1 1 37 37 THR C C 13 174.370 0.007 . 1 . 169 . . 37 THR C . 17513 2
141 . 1 1 37 37 THR CA C 13 61.444 0.01 . 1 . 167 . . 37 THR CA . 17513 2
142 . 1 1 37 37 THR CB C 13 69.822 0.049 . 1 . 168 . . 37 THR CB . 17513 2
143 . 1 1 37 37 THR N N 15 112.705 0.042 . 1 . 138 . . 37 THR N . 17513 2
144 . 1 1 38 38 ASP H H 1 8.428 0.001 . 1 . 65 . . 38 ASP H . 17513 2
145 . 1 1 38 38 ASP C C 13 175.869 0.005 . 1 . 435 . . 38 ASP C . 17513 2
146 . 1 1 38 38 ASP CA C 13 54.351 0.025 . 1 . 170 . . 38 ASP CA . 17513 2
147 . 1 1 38 38 ASP CB C 13 41.216 . . 1 . 171 . . 38 ASP CB . 17513 2
148 . 1 1 38 38 ASP N N 15 122.227 0.041 . 1 . 508 . . 38 ASP N . 17513 2
149 . 1 1 39 39 ASP H H 1 8.377 0.002 . 1 . 95 . . 39 ASP H . 17513 2
150 . 1 1 39 39 ASP C C 13 176.139 0.002 . 1 . 238 . . 39 ASP C . 17513 2
151 . 1 1 39 39 ASP CA C 13 54.384 0.008 . 1 . 239 . . 39 ASP CA . 17513 2
152 . 1 1 39 39 ASP CB C 13 41.173 0.025 . 1 . 241 . . 39 ASP CB . 17513 2
153 . 1 1 39 39 ASP N N 15 121.017 0.038 . 1 . 96 . . 39 ASP N . 17513 2
154 . 1 1 40 40 VAL H H 1 8.166 0.001 . 1 . 103 . . 40 VAL H . 17513 2
155 . 1 1 40 40 VAL C C 13 176.090 0.01 . 1 . 243 . . 40 VAL C . 17513 2
156 . 1 1 40 40 VAL CA C 13 62.302 0.073 . 1 . 240 . . 40 VAL CA . 17513 2
157 . 1 1 40 40 VAL CB C 13 32.631 0.044 . 1 . 242 . . 40 VAL CB . 17513 2
158 . 1 1 40 40 VAL N N 15 120.512 0.039 . 1 . 104 . . 40 VAL N . 17513 2
159 . 1 1 41 41 LEU H H 1 8.406 0.003 . 1 . 11 . . 41 LEU H . 17513 2
160 . 1 1 41 41 LEU C C 13 176.962 0.006 . 1 . 246 . . 41 LEU C . 17513 2
161 . 1 1 41 41 LEU CA C 13 54.919 0.042 . 1 . 245 . . 41 LEU CA . 17513 2
162 . 1 1 41 41 LEU CB C 13 42.411 0.038 . 1 . 244 . . 41 LEU CB . 17513 2
163 . 1 1 41 41 LEU N N 15 125.959 0.05 . 1 . 12 . . 41 LEU N . 17513 2
164 . 1 1 42 42 ASP H H 1 8.469 0.001 . 1 . 63 . . 42 ASP H . 17513 2
165 . 1 1 42 42 ASP C C 13 176.247 0.01 . 1 . 249 . . 42 ASP C . 17513 2
166 . 1 1 42 42 ASP CA C 13 54.212 0.033 . 1 . 248 . . 42 ASP CA . 17513 2
167 . 1 1 42 42 ASP CB C 13 41.092 0.007 . 1 . 247 . . 42 ASP CB . 17513 2
168 . 1 1 42 42 ASP N N 15 122.300 0.046 . 1 . 64 . . 42 ASP N . 17513 2
169 . 1 1 43 43 VAL H H 1 8.109 0.001 . 1 . 99 . . 43 VAL H . 17513 2
170 . 1 1 43 43 VAL C C 13 175.829 0.002 . 1 . 305 . . 43 VAL C . 17513 2
171 . 1 1 43 43 VAL CA C 13 62.180 0.027 . 1 . 304 . . 43 VAL CA . 17513 2
172 . 1 1 43 43 VAL CB C 13 32.825 0.037 . 1 . 302 . . 43 VAL CB . 17513 2
173 . 1 1 43 43 VAL N N 15 120.579 0.042 . 1 . 100 . . 43 VAL N . 17513 2
174 . 1 1 44 44 ALA H H 1 8.440 0.001 . 1 . 5 . . 44 ALA H . 17513 2
175 . 1 1 44 44 ALA C C 13 177.737 0.012 . 1 . 306 . . 44 ALA C . 17513 2
176 . 1 1 44 44 ALA CA C 13 52.462 0.0 . 1 . 303 . . 44 ALA CA . 17513 2
177 . 1 1 44 44 ALA CB C 13 19.064 0.001 . 1 . 301 . . 44 ALA CB . 17513 2
178 . 1 1 44 44 ALA N N 15 127.220 0.051 . 1 . 6 . . 44 ALA N . 17513 2
179 . 1 1 45 45 LEU H H 1 8.210 0.001 . 1 . 73 . . 45 LEU H . 17513 2
180 . 1 1 45 45 LEU C C 13 177.427 0.002 . 1 . 312 . . 45 LEU C . 17513 2
181 . 1 1 45 45 LEU CA C 13 55.070 0.031 . 1 . 310 . . 45 LEU CA . 17513 2
182 . 1 1 45 45 LEU CB C 13 42.313 0.026 . 1 . 311 . . 45 LEU CB . 17513 2
183 . 1 1 45 45 LEU N N 15 121.698 0.043 . 1 . 74 . . 45 LEU N . 17513 2
184 . 1 1 46 46 GLU H H 1 8.444 0.003 . 1 . 77 . . 46 GLU H . 17513 2
185 . 1 1 46 46 GLU C C 13 176.098 0.003 . 1 . 313 . . 46 GLU C . 17513 2
186 . 1 1 46 46 GLU CA C 13 56.532 . . 1 . 315 . . 46 GLU CA . 17513 2
187 . 1 1 46 46 GLU CB C 13 30.337 0.019 . 1 . 314 . . 46 GLU CB . 17513 2
188 . 1 1 46 46 GLU N N 15 121.472 0.043 . 1 . 78 . . 46 GLU N . 17513 2
189 . 1 1 47 47 HIS H H 1 8.506 0.001 . 1 . 111 . . 47 HIS H . 17513 2
190 . 1 1 47 47 HIS C C 13 174.195 0.009 . 1 . 318 . . 47 HIS C . 17513 2
191 . 1 1 47 47 HIS CA C 13 55.415 0.004 . 1 . 316 . . 47 HIS CA . 17513 2
192 . 1 1 47 47 HIS CB C 13 29.854 0.097 . 1 . 317 . . 47 HIS CB . 17513 2
193 . 1 1 47 47 HIS N N 15 120.018 0.042 . 1 . 112 . . 47 HIS N . 17513 2
194 . 1 1 48 48 PHE H H 1 8.391 0.003 . 1 . 319 . . 48 PHE H . 17513 2
195 . 1 1 48 48 PHE C C 13 175.247 0.005 . 1 . 276 . . 48 PHE C . 17513 2
196 . 1 1 48 48 PHE CA C 13 57.616 0.007 . 1 . 321 . . 48 PHE CA . 17513 2
197 . 1 1 48 48 PHE CB C 13 39.802 . . 1 . 323 . . 48 PHE CB . 17513 2
198 . 1 1 48 48 PHE N N 15 122.495 0.046 . 1 . 320 . . 48 PHE N . 17513 2
199 . 1 1 49 49 VAL H H 1 8.286 0.001 . 1 . 33 . . 49 VAL H . 17513 2
200 . 1 1 49 49 VAL C C 13 175.317 0.018 . 1 . 413 . . 49 VAL C . 17513 2
201 . 1 1 49 49 VAL CA C 13 61.939 0.042 . 1 . 322 . . 49 VAL CA . 17513 2
202 . 1 1 49 49 VAL CB C 13 33.084 . . 1 . 324 . . 49 VAL CB . 17513 2
203 . 1 1 49 49 VAL N N 15 123.800 0.041 . 1 . 34 . . 49 VAL N . 17513 2
204 . 1 1 50 50 LYS H H 1 8.501 0.002 . 1 . 470 . . 50 LYS H . 17513 2
205 . 1 1 50 50 LYS C C 13 176.277 . . 1 . 472 . . 50 LYS C . 17513 2
206 . 1 1 50 50 LYS CA C 13 56.214 0.033 . 1 . 466 . . 50 LYS CA . 17513 2
207 . 1 1 50 50 LYS CB C 13 33.083 0.155 . 1 . 467 . . 50 LYS CB . 17513 2
208 . 1 1 50 50 LYS N N 15 126.704 0.098 . 1 . 471 . . 50 LYS N . 17513 2
209 . 1 1 51 51 ILE H H 1 8.566 0.001 . 1 . 462 . . 51 ILE H . 17513 2
210 . 1 1 51 51 ILE CA C 13 60.935 . . 1 . 465 . . 51 ILE CA . 17513 2
211 . 1 1 51 51 ILE CB C 13 38.696 . . 1 . 464 . . 51 ILE CB . 17513 2
212 . 1 1 51 51 ILE N N 15 124.742 0.059 . 1 . 463 . . 51 ILE N . 17513 2
213 . 1 1 52 52 THR H H 1 8.426 0.003 . 1 . 399 . . 52 THR H . 17513 2
214 . 1 1 52 52 THR C C 13 174.104 0.009 . 1 . 406 . . 52 THR C . 17513 2
215 . 1 1 52 52 THR CA C 13 61.505 0.001 . 1 . 402 . . 52 THR CA . 17513 2
216 . 1 1 52 52 THR CB C 13 69.673 0.055 . 1 . 401 . . 52 THR CB . 17513 2
217 . 1 1 52 52 THR N N 15 119.563 0.036 . 1 . 400 . . 52 THR N . 17513 2
218 . 1 1 53 53 GLU H H 1 8.523 0.004 . 1 . 405 . . 53 GLU H . 17513 2
219 . 1 1 53 53 GLU C C 13 175.786 0.004 . 1 . 407 . . 53 GLU C . 17513 2
220 . 1 1 53 53 GLU CB C 13 30.532 0.01 . 1 . 606 . . 53 GLU CB . 17513 2
221 . 1 1 53 53 GLU N N 15 123.958 0.057 . 1 . 404 . . 53 GLU N . 17513 2
222 . 1 1 54 54 HIS H H 1 8.661 0.003 . 1 . 408 . . 54 HIS H . 17513 2
223 . 1 1 54 54 HIS C C 13 172.973 . . 1 . 410 . . 54 HIS C . 17513 2
224 . 1 1 54 54 HIS CB C 13 29.674 . . 1 . 412 . . 54 HIS CB . 17513 2
225 . 1 1 54 54 HIS N N 15 120.409 0.031 . 1 . 409 . . 54 HIS N . 17513 2
226 . 1 1 55 55 PRO C C 13 176.741 . . 1 . 386 . . 55 PRO C . 17513 2
227 . 1 1 55 55 PRO CA C 13 63.469 . . 1 . 385 . . 55 PRO CA . 17513 2
228 . 1 1 56 56 ASP H H 1 8.831 0.002 . 1 . 85 . . 56 ASP H . 17513 2
229 . 1 1 56 56 ASP C C 13 176.866 0.036 . 1 . 180 . . 56 ASP C . 17513 2
230 . 1 1 56 56 ASP CA C 13 54.316 . . 1 . 178 . . 56 ASP CA . 17513 2
231 . 1 1 56 56 ASP CB C 13 41.404 0.037 . 1 . 177 . . 56 ASP CB . 17513 2
232 . 1 1 56 56 ASP N N 15 121.137 0.044 . 1 . 86 . . 56 ASP N . 17513 2
233 . 1 1 57 57 GLY H H 1 8.454 0.002 . 1 . 153 . . 57 GLY H . 17513 2
234 . 1 1 57 57 GLY C C 13 174.532 0.008 . 1 . 176 . . 57 GLY C . 17513 2
235 . 1 1 57 57 GLY CA C 13 45.516 0.035 . 1 . 175 . . 57 GLY CA . 17513 2
236 . 1 1 57 57 GLY N N 15 109.407 0.04 . 1 . 154 . . 57 GLY N . 17513 2
237 . 1 1 58 58 THR H H 1 8.203 0.001 . 1 . 129 . . 58 THR H . 17513 2
238 . 1 1 58 58 THR C C 13 174.355 . . 1 . 179 . . 58 THR C . 17513 2
239 . 1 1 58 58 THR CA C 13 62.046 0.004 . 1 . 173 . . 58 THR CA . 17513 2
240 . 1 1 58 58 THR CB C 13 69.788 0.012 . 1 . 174 . . 58 THR CB . 17513 2
241 . 1 1 58 58 THR N N 15 113.230 0.039 . 1 . 130 . . 58 THR N . 17513 2
242 . 1 1 59 59 ASP H H 1 8.548 0.001 . 1 . 54 . . 59 ASP H . 17513 2
243 . 1 1 59 59 ASP C C 13 175.882 0.005 . 1 . 237 . . 59 ASP C . 17513 2
244 . 1 1 59 59 ASP CA C 13 54.348 0.06 . 1 . 235 . . 59 ASP CA . 17513 2
245 . 1 1 59 59 ASP CB C 13 41.048 0.027 . 1 . 236 . . 59 ASP CB . 17513 2
246 . 1 1 59 59 ASP N N 15 122.648 0.045 . 1 . 55 . . 59 ASP N . 17513 2
247 . 1 1 60 60 LEU H H 1 8.236 . . 1 . 52 . . 60 LEU H . 17513 2
248 . 1 1 60 60 LEU C C 13 176.733 0.003 . 1 . 524 . . 60 LEU C . 17513 2
249 . 1 1 60 60 LEU CA C 13 55.079 0.029 . 1 . 437 . . 60 LEU CA . 17513 2
250 . 1 1 60 60 LEU CB C 13 42.156 0.067 . 1 . 491 . . 60 LEU CB . 17513 2
251 . 1 1 60 60 LEU N N 15 122.502 0.082 . 1 . 53 . . 60 LEU N . 17513 2
252 . 1 1 61 61 ILE H H 1 8.236 0.002 . 1 . 537 . . 61 ILE H . 17513 2
253 . 1 1 61 61 ILE C C 13 175.297 0.007 . 1 . 540 . . 61 ILE C . 17513 2
254 . 1 1 61 61 ILE CA C 13 60.811 0.001 . 1 . 539 . . 61 ILE CA . 17513 2
255 . 1 1 61 61 ILE CB C 13 38.531 0.053 . 1 . 529 . . 61 ILE CB . 17513 2
256 . 1 1 61 61 ILE N N 15 122.691 0.04 . 1 . 538 . . 61 ILE N . 17513 2
257 . 1 1 62 62 TYR H H 1 8.342 0.003 . 1 . 17 . . 62 TYR H . 17513 2
258 . 1 1 62 62 TYR C C 13 174.589 0.036 . 1 . 492 . . 62 TYR C . 17513 2
259 . 1 1 62 62 TYR CA C 13 57.307 0.071 . 1 . 499 . . 62 TYR CA . 17513 2
260 . 1 1 62 62 TYR CB C 13 39.561 0.018 . 1 . 541 . . 62 TYR CB . 17513 2
261 . 1 1 62 62 TYR N N 15 125.395 0.055 . 1 . 18 . . 62 TYR N . 17513 2
262 . 1 1 63 63 TYR H H 1 8.354 0.003 . 1 . 495 . . 63 TYR H . 17513 2
263 . 1 1 63 63 TYR C C 13 173.475 . . 1 . 497 . . 63 TYR C . 17513 2
264 . 1 1 63 63 TYR CA C 13 55.435 . . 1 . 544 . . 63 TYR CA . 17513 2
265 . 1 1 63 63 TYR CB C 13 39.095 . . 1 . 545 . . 63 TYR CB . 17513 2
266 . 1 1 63 63 TYR N N 15 124.944 0.056 . 1 . 496 . . 63 TYR N . 17513 2
267 . 1 1 64 64 PRO C C 13 176.777 . . 1 . 263 . . 64 PRO C . 17513 2
268 . 1 1 64 64 PRO CA C 13 63.046 . . 1 . 259 . . 64 PRO CA . 17513 2
269 . 1 1 64 64 PRO CB C 13 32.146 . . 1 . 261 . . 64 PRO CB . 17513 2
270 . 1 1 65 65 SER H H 1 8.518 0.001 . 1 . 125 . . 65 SER H . 17513 2
271 . 1 1 65 65 SER C C 13 174.347 0.001 . 1 . 265 . . 65 SER C . 17513 2
272 . 1 1 65 65 SER CA C 13 58.266 0.004 . 1 . 258 . . 65 SER CA . 17513 2
273 . 1 1 65 65 SER CB C 13 63.875 0.003 . 1 . 260 . . 65 SER CB . 17513 2
274 . 1 1 65 65 SER N N 15 116.073 0.038 . 1 . 126 . . 65 SER N . 17513 2
275 . 1 1 66 66 ASP H H 1 8.512 0.001 . 1 . 58 . . 66 ASP H . 17513 2
276 . 1 1 66 66 ASP C C 13 175.886 . . 1 . 266 . . 66 ASP C . 17513 2
277 . 1 1 66 66 ASP CA C 13 54.165 0.045 . 1 . 267 . . 66 ASP CA . 17513 2
278 . 1 1 66 66 ASP CB C 13 41.265 0.014 . 1 . 264 . . 66 ASP CB . 17513 2
279 . 1 1 66 66 ASP N N 15 122.529 0.041 . 1 . 59 . . 66 ASP N . 17513 2
280 . 1 1 67 67 ASN H H 1 8.482 0.001 . 1 . 113 . . 67 ASN H . 17513 2
281 . 1 1 67 67 ASN C C 13 175.390 0.003 . 1 . 417 . . 67 ASN C . 17513 2
282 . 1 1 67 67 ASN CA C 13 53.183 0.103 . 1 . 416 . . 67 ASN CA . 17513 2
283 . 1 1 67 67 ASN CB C 13 38.807 0.041 . 1 . 415 . . 67 ASN CB . 17513 2
284 . 1 1 67 67 ASN N N 15 119.562 0.035 . 1 . 114 . . 67 ASN N . 17513 2
285 . 1 1 68 68 ARG H H 1 8.477 0.003 . 1 . 69 . . 68 ARG H . 17513 2
286 . 1 1 68 68 ARG C C 13 176.170 0.01 . 1 . 423 . . 68 ARG C . 17513 2
287 . 1 1 68 68 ARG CA C 13 56.443 0.01 . 1 . 420 . . 68 ARG CA . 17513 2
288 . 1 1 68 68 ARG CB C 13 30.864 0.044 . 1 . 422 . . 68 ARG CB . 17513 2
289 . 1 1 68 68 ARG N N 15 121.929 0.049 . 1 . 70 . . 68 ARG N . 17513 2
290 . 1 1 69 69 ASP H H 1 8.501 0.001 . 1 . 81 . . 69 ASP H . 17513 2
291 . 1 1 69 69 ASP C C 13 175.858 0.009 . 1 . 426 . . 69 ASP C . 17513 2
292 . 1 1 69 69 ASP CA C 13 54.292 0.082 . 1 . 424 . . 69 ASP CA . 17513 2
293 . 1 1 69 69 ASP CB C 13 41.144 0.028 . 1 . 425 . . 69 ASP CB . 17513 2
294 . 1 1 69 69 ASP N N 15 121.368 0.04 . 1 . 82 . . 69 ASP N . 17513 2
295 . 1 1 70 70 ASP H H 1 8.328 0.001 . 1 . 89 . . 70 ASP H . 17513 2
296 . 1 1 70 70 ASP C C 13 176.036 0.011 . 1 . 268 . . 70 ASP C . 17513 2
297 . 1 1 70 70 ASP CA C 13 53.926 0.032 . 1 . 282 . . 70 ASP CA . 17513 2
298 . 1 1 70 70 ASP CB C 13 41.077 0.039 . 1 . 283 . . 70 ASP CB . 17513 2
299 . 1 1 70 70 ASP N N 15 121.141 0.039 . 1 . 90 . . 70 ASP N . 17513 2
300 . 1 1 71 71 SER H H 1 8.345 0.002 . 1 . 119 . . 71 SER H . 17513 2
301 . 1 1 71 71 SER C C 13 172.957 . . 1 . 279 . . 71 SER C . 17513 2
302 . 1 1 71 71 SER CA C 13 56.752 . . 1 . 281 . . 71 SER CA . 17513 2
303 . 1 1 71 71 SER CB C 13 63.118 . . 1 . 280 . . 71 SER CB . 17513 2
304 . 1 1 71 71 SER N N 15 117.214 0.042 . 1 . 120 . . 71 SER N . 17513 2
305 . 1 1 72 72 PRO CA C 13 63.487 . . 1 . 224 . . 72 PRO CA . 17513 2
306 . 1 1 72 72 PRO CB C 13 32.025 . . 1 . 225 . . 72 PRO CB . 17513 2
307 . 1 1 73 73 GLU H H 1 8.581 0.001 . 1 . 97 . . 73 GLU H . 17513 2
308 . 1 1 73 73 GLU C C 13 177.044 0.008 . 1 . 218 . . 73 GLU C . 17513 2
309 . 1 1 73 73 GLU CA C 13 56.835 0.034 . 1 . 221 . . 73 GLU CA . 17513 2
310 . 1 1 73 73 GLU CB C 13 30.274 0.058 . 1 . 222 . . 73 GLU CB . 17513 2
311 . 1 1 73 73 GLU N N 15 120.623 0.043 . 1 . 98 . . 73 GLU N . 17513 2
312 . 1 1 74 74 GLY H H 1 8.397 0.001 . 1 . 149 . . 74 GLY H . 17513 2
313 . 1 1 74 74 GLY C C 13 173.763 0.005 . 1 . 219 . . 74 GLY C . 17513 2
314 . 1 1 74 74 GLY CA C 13 45.200 0.02 . 1 . 220 . . 74 GLY CA . 17513 2
315 . 1 1 74 74 GLY N N 15 109.876 0.04 . 1 . 150 . . 74 GLY N . 17513 2
316 . 1 1 75 75 ILE H H 1 8.024 0.001 . 1 . 107 . . 75 ILE H . 17513 2
317 . 1 1 75 75 ILE C C 13 176.227 0.009 . 1 . 228 . . 75 ILE C . 17513 2
318 . 1 1 75 75 ILE CA C 13 60.970 0.003 . 1 . 226 . . 75 ILE CA . 17513 2
319 . 1 1 75 75 ILE CB C 13 38.736 0.054 . 1 . 227 . . 75 ILE CB . 17513 2
320 . 1 1 75 75 ILE N N 15 120.420 0.038 . 1 . 108 . . 75 ILE N . 17513 2
321 . 1 1 76 76 VAL H H 1 8.415 0.003 . 1 . 512 . . 76 VAL H . 17513 2
322 . 1 1 76 76 VAL C C 13 176.012 0.011 . 1 . 516 . . 76 VAL C . 17513 2
323 . 1 1 76 76 VAL CA C 13 62.293 . . 1 . 594 . . 76 VAL CA . 17513 2
324 . 1 1 76 76 VAL CB C 13 32.649 0.034 . 1 . 608 . . 76 VAL CB . 17513 2
325 . 1 1 76 76 VAL N N 15 125.925 0.094 . 1 . 513 . . 76 VAL N . 17513 2
326 . 1 1 77 77 LYS H H 1 8.578 0.004 . 1 . 455 . . 77 LYS H . 17513 2
327 . 1 1 77 77 LYS C C 13 176.230 0.005 . 1 . 515 . . 77 LYS C . 17513 2
328 . 1 1 77 77 LYS CA C 13 56.200 . . 1 . 458 . . 77 LYS CA . 17513 2
329 . 1 1 77 77 LYS CB C 13 33.177 0.038 . 1 . 457 . . 77 LYS CB . 17513 2
330 . 1 1 77 77 LYS N N 15 126.840 0.046 . 1 . 456 . . 77 LYS N . 17513 2
331 . 1 1 78 78 GLU H H 1 8.581 0.003 . 1 . 460 . . 78 GLU H . 17513 2
332 . 1 1 78 78 GLU C C 13 176.171 0.02 . 1 . 563 . . 78 GLU C . 17513 2
333 . 1 1 78 78 GLU CA C 13 56.321 0.014 . 1 . 609 . . 78 GLU CA . 17513 2
334 . 1 1 78 78 GLU CB C 13 30.423 0.023 . 1 . 560 . . 78 GLU CB . 17513 2
335 . 1 1 78 78 GLU N N 15 123.334 0.064 . 1 . 461 . . 78 GLU N . 17513 2
336 . 1 1 79 79 ILE H H 1 8.495 0.004 . 1 . 447 . . 79 ILE H . 17513 2
337 . 1 1 79 79 ILE C C 13 176.152 . . 1 . 617 . . 79 ILE C . 17513 2
338 . 1 1 79 79 ILE CA C 13 60.955 0.009 . 1 . 613 . . 79 ILE CA . 17513 2
339 . 1 1 79 79 ILE CB C 13 38.497 0.029 . 1 . 612 . . 79 ILE CB . 17513 2
340 . 1 1 79 79 ILE N N 15 124.073 0.052 . 1 . 448 . . 79 ILE N . 17513 2
341 . 1 1 80 80 LYS H H 1 8.595 0.003 . 1 . 614 . . 80 LYS H . 17513 2
342 . 1 1 80 80 LYS C C 13 176.237 0.002 . 1 . 618 . . 80 LYS C . 17513 2
343 . 1 1 80 80 LYS CB C 13 33.176 . . 1 . 616 . . 80 LYS CB . 17513 2
344 . 1 1 80 80 LYS N N 15 126.847 0.053 . 1 . 615 . . 80 LYS N . 17513 2
345 . 1 1 81 81 GLU H H 1 8.579 0.004 . 1 . 597 . . 81 GLU H . 17513 2
346 . 1 1 81 81 GLU C C 13 175.921 . . 1 . 595 . . 81 GLU C . 17513 2
347 . 1 1 81 81 GLU N N 15 122.957 0.014 . 1 . 619 . . 81 GLU N . 17513 2
348 . 1 1 82 82 TRP H H 1 8.488 0.003 . 1 . 31 . . 82 TRP H . 17513 2
349 . 1 1 82 82 TRP C C 13 175.996 0.01 . 1 . 213 . . 82 TRP C . 17513 2
350 . 1 1 82 82 TRP CA C 13 57.761 0.004 . 1 . 214 . . 82 TRP CA . 17513 2
351 . 1 1 82 82 TRP CB C 13 29.579 . . 1 . 215 . . 82 TRP CB . 17513 2
352 . 1 1 82 82 TRP N N 15 124.030 0.019 . 1 . 32 . . 82 TRP N . 17513 2
353 . 1 1 83 83 ARG H H 1 8.140 0.002 . 1 . 568 . . 83 ARG H . 17513 2
354 . 1 1 83 83 ARG C C 13 175.281 0.005 . 1 . 209 . . 83 ARG C . 17513 2
355 . 1 1 83 83 ARG CA C 13 55.485 . . 1 . 533 . . 83 ARG CA . 17513 2
356 . 1 1 83 83 ARG CB C 13 31.459 0.026 . 1 . 212 . . 83 ARG CB . 17513 2
357 . 1 1 83 83 ARG N N 15 124.315 0.054 . 1 . 569 . . 83 ARG N . 17513 2
358 . 1 1 84 84 ALA H H 1 8.237 0.001 . 1 . 15 . . 84 ALA H . 17513 2
359 . 1 1 84 84 ALA C C 13 177.658 . . 1 . 210 . . 84 ALA C . 17513 2
360 . 1 1 84 84 ALA CA C 13 52.303 0.047 . 1 . 207 . . 84 ALA CA . 17513 2
361 . 1 1 84 84 ALA CB C 13 19.135 0.055 . 1 . 208 . . 84 ALA CB . 17513 2
362 . 1 1 84 84 ALA N N 15 125.602 0.051 . 1 . 16 . . 84 ALA N . 17513 2
363 . 1 1 85 85 ALA H H 1 8.446 0.002 . 1 . 35 . . 85 ALA H . 17513 2
364 . 1 1 85 85 ALA C C 13 177.581 0.015 . 1 . 204 . . 85 ALA C . 17513 2
365 . 1 1 85 85 ALA CA C 13 52.559 0.027 . 1 . 205 . . 85 ALA CA . 17513 2
366 . 1 1 85 85 ALA CB C 13 19.093 0.013 . 1 . 206 . . 85 ALA CB . 17513 2
367 . 1 1 85 85 ALA N N 15 123.780 0.07 . 1 . 36 . . 85 ALA N . 17513 2
368 . 1 1 86 86 ASN H H 1 8.402 0.001 . 1 . 115 . . 86 ASN H . 17513 2
369 . 1 1 86 86 ASN C C 13 175.700 0.0 . 1 . 201 . . 86 ASN C . 17513 2
370 . 1 1 86 86 ASN CA C 13 53.026 0.018 . 1 . 199 . . 86 ASN CA . 17513 2
371 . 1 1 86 86 ASN CB C 13 38.841 0.047 . 1 . 198 . . 86 ASN CB . 17513 2
372 . 1 1 86 86 ASN N N 15 117.620 0.043 . 1 . 116 . . 86 ASN N . 17513 2
373 . 1 1 87 87 GLY H H 1 8.342 0.003 . 1 . 155 . . 87 GLY H . 17513 2
374 . 1 1 87 87 GLY C C 13 173.551 0.005 . 1 . 200 . . 87 GLY C . 17513 2
375 . 1 1 87 87 GLY CA C 13 45.081 0.036 . 1 . 197 . . 87 GLY CA . 17513 2
376 . 1 1 87 87 GLY N N 15 109.013 0.046 . 1 . 156 . . 87 GLY N . 17513 2
377 . 1 1 88 88 LYS H H 1 8.255 0.001 . 1 . 67 . . 88 LYS H . 17513 2
378 . 1 1 88 88 LYS CA C 13 54.318 . . 1 . 202 . . 88 LYS CA . 17513 2
379 . 1 1 88 88 LYS CB C 13 32.597 . . 1 . 203 . . 88 LYS CB . 17513 2
380 . 1 1 88 88 LYS N N 15 121.967 0.036 . 1 . 68 . . 88 LYS N . 17513 2
381 . 1 1 89 89 PRO C C 13 177.340 . . 1 . 182 . . 89 PRO C . 17513 2
382 . 1 1 89 89 PRO CA C 13 63.279 . . 1 . 185 . . 89 PRO CA . 17513 2
383 . 1 1 89 89 PRO CB C 13 32.132 . . 1 . 184 . . 89 PRO CB . 17513 2
384 . 1 1 90 90 GLY H H 1 8.557 0.001 . 1 . 151 . . 90 GLY H . 17513 2
385 . 1 1 90 90 GLY C C 13 173.677 0.015 . 1 . 181 . . 90 GLY C . 17513 2
386 . 1 1 90 90 GLY CA C 13 45.016 0.007 . 1 . 183 . . 90 GLY CA . 17513 2
387 . 1 1 90 90 GLY N N 15 109.461 0.039 . 1 . 152 . . 90 GLY N . 17513 2
388 . 1 1 91 91 PHE H H 1 8.213 0.001 . 1 . 101 . . 91 PHE H . 17513 2
389 . 1 1 91 91 PHE C C 13 175.536 0.004 . 1 . 188 . . 91 PHE C . 17513 2
390 . 1 1 91 91 PHE CA C 13 57.721 0.001 . 1 . 186 . . 91 PHE CA . 17513 2
391 . 1 1 91 91 PHE CB C 13 39.879 0.001 . 1 . 187 . . 91 PHE CB . 17513 2
392 . 1 1 91 91 PHE N N 15 120.498 0.037 . 1 . 102 . . 91 PHE N . 17513 2
393 . 1 1 92 92 LYS H H 1 8.463 0.001 . 1 . 23 . . 92 LYS H . 17513 2
394 . 1 1 92 92 LYS C C 13 175.868 0.005 . 1 . 189 . . 92 LYS C . 17513 2
395 . 1 1 92 92 LYS CA C 13 56.177 0.029 . 1 . 190 . . 92 LYS CA . 17513 2
396 . 1 1 92 92 LYS CB C 13 33.295 0.017 . 1 . 191 . . 92 LYS CB . 17513 2
397 . 1 1 92 92 LYS N N 15 124.646 0.043 . 1 . 24 . . 92 LYS N . 17513 2
398 . 1 1 93 93 GLN H H 1 8.540 0.001 . 1 . 43 . . 93 GLN H . 17513 2
399 . 1 1 93 93 GLN C C 13 175.389 0.005 . 1 . 195 . . 93 GLN C . 17513 2
400 . 1 1 93 93 GLN CA C 13 55.799 0.007 . 1 . 193 . . 93 GLN CA . 17513 2
401 . 1 1 93 93 GLN CB C 13 29.889 0.02 . 1 . 194 . . 93 GLN CB . 17513 2
402 . 1 1 93 93 GLN N N 15 123.268 0.037 . 1 . 44 . . 93 GLN N . 17513 2
403 . 1 1 94 94 GLY H H 1 8.250 0.001 . 1 . 117 . . 94 GLY H . 17513 2
404 . 1 1 94 94 GLY C C 13 179.000 . . 1 . 196 . . 94 GLY C . 17513 2
405 . 1 1 94 94 GLY CA C 13 46.231 . . 1 . 192 . . 94 GLY CA . 17513 2
406 . 1 1 94 94 GLY N N 15 117.336 0.038 . 1 . 118 . . 94 GLY N . 17513 2
stop_
save_