Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 26839
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_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
1 '2D 1H-15N HSQC' . . . 26839 1
2 '2D CACO' . . . 26839 1
3 '2D CON' . . . 26839 1
4 '3D HNCA' . . . 26839 1
5 '3D HNCO' . . . 26839 1
6 '3D HNCACB' . . . 26839 1
7 '3D CBCA(CO)NH' . . . 26839 1
8 '3D HN(CA)CO' . . . 26839 1
9 '3D HNN' . . . 26839 1
10 '3D HBHA(CO)NH' . . . 26839 1
11 '3D CONCA' . . . 26839 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CcpNmr_Analysis . . 26839 1
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 1 1 SER C C 13 173.999 0.030 . 1 . 498 . . 1 SER C . 26839 1
2 . 1 1 2 2 TYR C C 13 175.199 0.012 . 1 . 169 . . 2 TYR C . 26839 1
3 . 1 1 2 2 TYR CA C 13 58.189 0.034 . 1 . 212 . . 2 TYR CA . 26839 1
4 . 1 1 2 2 TYR CB C 13 38.933 0.044 . 1 . 211 . . 2 TYR CB . 26839 1
5 . 1 1 2 2 TYR N N 15 122.034 0.020 . 1 . 499 . . 2 TYR N . 26839 1
6 . 1 1 3 3 TYR H H 1 8.015 0.003 . 1 . 148 . . 3 TYR H . 26839 1
7 . 1 1 3 3 TYR C C 13 175.018 0.009 . 1 . 223 . . 3 TYR C . 26839 1
8 . 1 1 3 3 TYR CA C 13 57.744 0.058 . 1 . 170 . . 3 TYR CA . 26839 1
9 . 1 1 3 3 TYR CB C 13 38.980 0.030 . 1 . 213 . . 3 TYR CB . 26839 1
10 . 1 1 3 3 TYR N N 15 121.731 0.013 . 1 . 149 . . 3 TYR N . 26839 1
11 . 1 1 4 4 HIS CA C 13 56.165 0.030 . 1 . 497 . . 4 HIS CA . 26839 1
12 . 1 1 4 4 HIS N N 15 121.462 0.007 . 1 . 496 . . 4 HIS N . 26839 1
13 . 1 1 9 9 HIS C C 13 174.739 0.030 . 1 . 500 . . 9 HIS C . 26839 1
14 . 1 1 9 9 HIS CA C 13 56.021 0.030 . 1 . 502 . . 9 HIS CA . 26839 1
15 . 1 1 10 10 ASP HA H 1 4.501 0.003 . 1 . 321 . . 10 ASP HA . 26839 1
16 . 1 1 10 10 ASP HB2 H 1 2.533 0.003 . 1 . 325 . . 10 ASP HB2 . 26839 1
17 . 1 1 10 10 ASP HB3 H 1 2.533 0.003 . 1 . 320 . . 10 ASP HB3 . 26839 1
18 . 1 1 10 10 ASP C C 13 175.802 0.008 . 1 . 133 . . 10 ASP C . 26839 1
19 . 1 1 10 10 ASP CA C 13 54.588 0.050 . 1 . 134 . . 10 ASP CA . 26839 1
20 . 1 1 10 10 ASP CB C 13 40.894 0.049 . 1 . 253 . . 10 ASP CB . 26839 1
21 . 1 1 10 10 ASP N N 15 121.479 0.020 . 1 . 501 . . 10 ASP N . 26839 1
22 . 1 1 11 11 TYR H H 1 7.920 0.001 . 1 . 51 . . 11 TYR H . 26839 1
23 . 1 1 11 11 TYR HA H 1 4.517 0.003 . 1 . 324 . . 11 TYR HA . 26839 1
24 . 1 1 11 11 TYR HB2 H 1 2.880 0.003 . 2 . 322 . . 11 TYR HB2 . 26839 1
25 . 1 1 11 11 TYR HB3 H 1 3.057 0.003 . 2 . 323 . . 11 TYR HB3 . 26839 1
26 . 1 1 11 11 TYR C C 13 175.339 0.003 . 1 . 252 . . 11 TYR C . 26839 1
27 . 1 1 11 11 TYR CA C 13 57.506 0.039 . 1 . 135 . . 11 TYR CA . 26839 1
28 . 1 1 11 11 TYR CB C 13 38.740 0.011 . 1 . 254 . . 11 TYR CB . 26839 1
29 . 1 1 11 11 TYR N N 15 119.046 0.008 . 1 . 52 . . 11 TYR N . 26839 1
30 . 1 1 12 12 ASP H H 1 8.226 0.001 . 1 . 33 . . 12 ASP H . 26839 1
31 . 1 1 12 12 ASP HA H 1 4.582 0.003 . 1 . 328 . . 12 ASP HA . 26839 1
32 . 1 1 12 12 ASP HB2 H 1 2.579 0.003 . 1 . 327 . . 12 ASP HB2 . 26839 1
33 . 1 1 12 12 ASP HB3 H 1 2.579 0.003 . 1 . 326 . . 12 ASP HB3 . 26839 1
34 . 1 1 12 12 ASP C C 13 175.507 0.009 . 1 . 222 . . 12 ASP C . 26839 1
35 . 1 1 12 12 ASP CA C 13 54.272 0.050 . 1 . 167 . . 12 ASP CA . 26839 1
36 . 1 1 12 12 ASP CB C 13 41.174 0.051 . 1 . 230 . . 12 ASP CB . 26839 1
37 . 1 1 12 12 ASP N N 15 121.522 0.021 . 1 . 34 . . 12 ASP N . 26839 1
38 . 1 1 13 13 ILE H H 1 7.898 0.001 . 1 . 39 . . 13 ILE H . 26839 1
39 . 1 1 13 13 ILE C C 13 174.580 0.007 . 1 . 219 . . 13 ILE C . 26839 1
40 . 1 1 13 13 ILE CA C 13 58.831 0.058 . 1 . 130 . . 13 ILE CA . 26839 1
41 . 1 1 13 13 ILE CB C 13 38.686 0.030 . 1 . 210 . . 13 ILE CB . 26839 1
42 . 1 1 13 13 ILE N N 15 122.047 0.009 . 1 . 40 . . 13 ILE N . 26839 1
43 . 1 1 14 14 PRO HA H 1 4.465 0.003 . 1 . 331 . . 14 PRO HA . 26839 1
44 . 1 1 14 14 PRO HB2 H 1 2.254 0.003 . 2 . 330 . . 14 PRO HB2 . 26839 1
45 . 1 1 14 14 PRO HB3 H 1 1.889 0.003 . 2 . 329 . . 14 PRO HB3 . 26839 1
46 . 1 1 14 14 PRO C C 13 177.157 0.005 . 1 . 106 . . 14 PRO C . 26839 1
47 . 1 1 14 14 PRO CA C 13 63.282 0.027 . 1 . 105 . . 14 PRO CA . 26839 1
48 . 1 1 14 14 PRO CB C 13 32.079 0.081 . 1 . 199 . . 14 PRO CB . 26839 1
49 . 1 1 14 14 PRO N N 15 139.516 0.134 . 1 . 313 . . 14 PRO N . 26839 1
50 . 1 1 15 15 THR H H 1 8.260 0.001 . 1 . 17 . . 15 THR H . 26839 1
51 . 1 1 15 15 THR HA H 1 4.362 0.003 . 1 . 333 . . 15 THR HA . 26839 1
52 . 1 1 15 15 THR HB H 1 4.264 0.003 . 1 . 332 . . 15 THR HB . 26839 1
53 . 1 1 15 15 THR C C 13 174.972 0.008 . 1 . 107 . . 15 THR C . 26839 1
54 . 1 1 15 15 THR CA C 13 61.888 0.032 . 1 . 104 . . 15 THR CA . 26839 1
55 . 1 1 15 15 THR CB C 13 69.708 0.023 . 1 . 198 . . 15 THR CB . 26839 1
56 . 1 1 15 15 THR N N 15 114.360 0.010 . 1 . 18 . . 15 THR N . 26839 1
57 . 1 1 16 16 THR H H 1 8.058 0.002 . 1 . 57 . . 16 THR H . 26839 1
58 . 1 1 16 16 THR HA H 1 4.261 0.003 . 1 . 335 . . 16 THR HA . 26839 1
59 . 1 1 16 16 THR HB H 1 4.238 0.003 . 1 . 334 . . 16 THR HB . 26839 1
60 . 1 1 16 16 THR C C 13 174.755 0.009 . 1 . 116 . . 16 THR C . 26839 1
61 . 1 1 16 16 THR CA C 13 62.233 0.053 . 1 . 118 . . 16 THR CA . 26839 1
62 . 1 1 16 16 THR CB C 13 69.493 0.030 . 1 . 201 . . 16 THR CB . 26839 1
63 . 1 1 16 16 THR N N 15 115.050 0.018 . 1 . 58 . . 16 THR N . 26839 1
64 . 1 1 17 17 GLU H H 1 8.354 0.001 . 1 . 47 . . 17 GLU H . 26839 1
65 . 1 1 17 17 GLU HA H 1 4.220 0.003 . 1 . 467 . . 17 GLU HA . 26839 1
66 . 1 1 17 17 GLU HB2 H 1 1.978 0.003 . 1 . 465 . . 17 GLU HB2 . 26839 1
67 . 1 1 17 17 GLU HB3 H 1 1.978 0.003 . 1 . 466 . . 17 GLU HB3 . 26839 1
68 . 1 1 17 17 GLU C C 13 176.164 0.009 . 1 . 121 . . 17 GLU C . 26839 1
69 . 1 1 17 17 GLU CA C 13 56.977 0.030 . 1 . 117 . . 17 GLU CA . 26839 1
70 . 1 1 17 17 GLU CB C 13 30.221 0.087 . 1 . 200 . . 17 GLU CB . 26839 1
71 . 1 1 17 17 GLU N N 15 122.455 0.016 . 1 . 48 . . 17 GLU N . 26839 1
72 . 1 1 18 18 ASN H H 1 8.316 0.002 . 1 . 91 . . 18 ASN H . 26839 1
73 . 1 1 18 18 ASN HA H 1 4.607 0.003 . 1 . 462 . . 18 ASN HA . 26839 1
74 . 1 1 18 18 ASN HB2 H 1 2.730 0.003 . 1 . 464 . . 18 ASN HB2 . 26839 1
75 . 1 1 18 18 ASN HB3 H 1 2.730 0.003 . 1 . 463 . . 18 ASN HB3 . 26839 1
76 . 1 1 18 18 ASN HD21 H 1 6.876 0.005 . 1 . 95 . . 18 ASN HD21 . 26839 1
77 . 1 1 18 18 ASN HD22 H 1 7.546 0.002 . 1 . 29 . . 18 ASN HD22 . 26839 1
78 . 1 1 18 18 ASN C C 13 175.215 0.006 . 1 . 250 . . 18 ASN C . 26839 1
79 . 1 1 18 18 ASN CA C 13 53.388 0.027 . 1 . 122 . . 18 ASN CA . 26839 1
80 . 1 1 18 18 ASN CB C 13 38.716 0.042 . 1 . 203 . . 18 ASN CB . 26839 1
81 . 1 1 18 18 ASN CG C 13 176.895 0.032 . 1 . 186 . . 18 ASN CG . 26839 1
82 . 1 1 18 18 ASN N N 15 119.142 0.016 . 1 . 92 . . 18 ASN N . 26839 1
83 . 1 1 18 18 ASN ND2 N 15 112.537 0.041 . 1 . 30 . . 18 ASN ND2 . 26839 1
84 . 1 1 19 19 LEU H H 1 8.060 0.001 . 1 . 158 . . 19 LEU H . 26839 1
85 . 1 1 19 19 LEU HA H 1 4.159 0.003 . 1 . 461 . . 19 LEU HA . 26839 1
86 . 1 1 19 19 LEU HB2 H 1 1.304 0.003 . 2 . 460 . . 19 LEU HB2 . 26839 1
87 . 1 1 19 19 LEU HB3 H 1 1.437 0.003 . 2 . 459 . . 19 LEU HB3 . 26839 1
88 . 1 1 19 19 LEU C C 13 177.165 0.005 . 1 . 218 . . 19 LEU C . 26839 1
89 . 1 1 19 19 LEU CA C 13 55.674 0.030 . 1 . 163 . . 19 LEU CA . 26839 1
90 . 1 1 19 19 LEU CB C 13 42.210 0.045 . 1 . 208 . . 19 LEU CB . 26839 1
91 . 1 1 19 19 LEU N N 15 122.073 0.027 . 1 . 159 . . 19 LEU N . 26839 1
92 . 1 1 20 20 TYR H H 1 8.012 0.001 . 1 . 45 . . 20 TYR H . 26839 1
93 . 1 1 20 20 TYR HA H 1 4.456 0.003 . 1 . 458 . . 20 TYR HA . 26839 1
94 . 1 1 20 20 TYR HB2 H 1 2.880 0.003 . 1 . 457 . . 20 TYR HB2 . 26839 1
95 . 1 1 20 20 TYR HB3 H 1 2.880 0.003 . 1 . 456 . . 20 TYR HB3 . 26839 1
96 . 1 1 20 20 TYR C C 13 175.699 0.008 . 1 . 283 . . 20 TYR C . 26839 1
97 . 1 1 20 20 TYR CA C 13 58.121 0.033 . 1 . 306 . . 20 TYR CA . 26839 1
98 . 1 1 20 20 TYR CB C 13 38.513 0.063 . 1 . 305 . . 20 TYR CB . 26839 1
99 . 1 1 20 20 TYR N N 15 119.437 0.012 . 1 . 46 . . 20 TYR N . 26839 1
100 . 1 1 21 21 PHE H H 1 7.960 0.001 . 1 . 21 . . 21 PHE H . 26839 1
101 . 1 1 21 21 PHE HA H 1 4.523 0.003 . 1 . 483 . . 21 PHE HA . 26839 1
102 . 1 1 21 21 PHE HB2 H 1 3.045 0.003 . 1 . 482 . . 21 PHE HB2 . 26839 1
103 . 1 1 21 21 PHE HB3 H 1 3.045 0.003 . 1 . 481 . . 21 PHE HB3 . 26839 1
104 . 1 1 21 21 PHE C C 13 175.559 0.009 . 1 . 236 . . 21 PHE C . 26839 1
105 . 1 1 21 21 PHE CA C 13 57.885 0.007 . 1 . 307 . . 21 PHE CA . 26839 1
106 . 1 1 21 21 PHE CB C 13 39.551 0.060 . 1 . 237 . . 21 PHE CB . 26839 1
107 . 1 1 21 21 PHE N N 15 120.984 0.009 . 1 . 22 . . 21 PHE N . 26839 1
108 . 1 1 22 22 GLN H H 1 8.211 0.002 . 1 . 150 . . 22 GLN H . 26839 1
109 . 1 1 22 22 GLN HA H 1 4.194 0.003 . 1 . 453 . . 22 GLN HA . 26839 1
110 . 1 1 22 22 GLN HB2 H 1 1.880 0.003 . 2 . 455 . . 22 GLN HB2 . 26839 1
111 . 1 1 22 22 GLN HB3 H 1 2.063 0.003 . 2 . 454 . . 22 GLN HB3 . 26839 1
112 . 1 1 22 22 GLN HE21 H 1 6.824 0.003 . 1 . 184 . . 22 GLN HE21 . 26839 1
113 . 1 1 22 22 GLN HE22 H 1 7.432 0.001 . 1 . 69 . . 22 GLN HE22 . 26839 1
114 . 1 1 22 22 GLN C C 13 176.224 0.005 . 1 . 221 . . 22 GLN C . 26839 1
115 . 1 1 22 22 GLN CA C 13 56.175 0.045 . 1 . 168 . . 22 GLN CA . 26839 1
116 . 1 1 22 22 GLN CB C 13 29.346 0.080 . 1 . 188 . . 22 GLN CB . 26839 1
117 . 1 1 22 22 GLN CG C 13 33.902 0.004 . 1 . 189 . . 22 GLN CG . 26839 1
118 . 1 1 22 22 GLN CD C 13 180.350 0.044 . 1 . 187 . . 22 GLN CD . 26839 1
119 . 1 1 22 22 GLN N N 15 121.780 0.013 . 1 . 151 . . 22 GLN N . 26839 1
120 . 1 1 22 22 GLN NE2 N 15 112.131 0.040 . 1 . 70 . . 22 GLN NE2 . 26839 1
121 . 1 1 23 23 GLY H H 1 7.912 0.002 . 1 . 3 . . 23 GLY H . 26839 1
122 . 1 1 23 23 GLY HA2 H 1 3.857 0.003 . 1 . 452 . . 23 GLY HA2 . 26839 1
123 . 1 1 23 23 GLY HA3 H 1 3.857 0.003 . 1 . 451 . . 23 GLY HA3 . 26839 1
124 . 1 1 23 23 GLY C C 13 173.968 0.007 . 1 . 1 . . 23 GLY C . 26839 1
125 . 1 1 23 23 GLY CA C 13 45.392 0.030 . 1 . 2 . . 23 GLY CA . 26839 1
126 . 1 1 23 23 GLY N N 15 109.104 0.013 . 1 . 4 . . 23 GLY N . 26839 1
127 . 1 1 24 24 ALA H H 1 8.121 0.002 . 1 . 9 . . 24 ALA H . 26839 1
128 . 1 1 24 24 ALA HA H 1 4.265 0.003 . 1 . 450 . . 24 ALA HA . 26839 1
129 . 1 1 24 24 ALA HB1 H 1 1.343 0.003 . 1 . 449 . . 24 ALA HB1 . 26839 1
130 . 1 1 24 24 ALA HB2 H 1 1.343 0.003 . 1 . 449 . . 24 ALA HB2 . 26839 1
131 . 1 1 24 24 ALA HB3 H 1 1.343 0.003 . 1 . 449 . . 24 ALA HB3 . 26839 1
132 . 1 1 24 24 ALA C C 13 177.897 0.005 . 1 . 143 . . 24 ALA C . 26839 1
133 . 1 1 24 24 ALA CA C 13 52.767 0.024 . 1 . 123 . . 24 ALA CA . 26839 1
134 . 1 1 24 24 ALA CB C 13 19.323 0.143 . 1 . 192 . . 24 ALA CB . 26839 1
135 . 1 1 24 24 ALA N N 15 123.554 0.012 . 1 . 10 . . 24 ALA N . 26839 1
136 . 1 1 25 25 MET H H 1 8.209 0.001 . 1 . 102 . . 25 MET H . 26839 1
137 . 1 1 25 25 MET HA H 1 4.378 0.003 . 1 . 446 . . 25 MET HA . 26839 1
138 . 1 1 25 25 MET HB2 H 1 1.992 0.003 . 1 . 447 . . 25 MET HB2 . 26839 1
139 . 1 1 25 25 MET HB3 H 1 1.992 0.003 . 1 . 448 . . 25 MET HB3 . 26839 1
140 . 1 1 25 25 MET C C 13 175.945 0.005 . 1 . 138 . . 25 MET C . 26839 1
141 . 1 1 25 25 MET CA C 13 55.409 0.030 . 1 . 144 . . 25 MET CA . 26839 1
142 . 1 1 25 25 MET CB C 13 32.801 0.154 . 1 . 191 . . 25 MET CB . 26839 1
143 . 1 1 25 25 MET N N 15 118.570 0.006 . 1 . 103 . . 25 MET N . 26839 1
144 . 1 1 26 26 ALA H H 1 8.077 0.001 . 1 . 63 . . 26 ALA H . 26839 1
145 . 1 1 26 26 ALA HA H 1 4.235 0.003 . 1 . 444 . . 26 ALA HA . 26839 1
146 . 1 1 26 26 ALA HB1 H 1 1.319 0.003 . 1 . 445 . . 26 ALA HB1 . 26839 1
147 . 1 1 26 26 ALA HB2 H 1 1.319 0.003 . 1 . 445 . . 26 ALA HB2 . 26839 1
148 . 1 1 26 26 ALA HB3 H 1 1.319 0.003 . 1 . 445 . . 26 ALA HB3 . 26839 1
149 . 1 1 26 26 ALA C C 13 177.364 0.004 . 1 . 131 . . 26 ALA C . 26839 1
150 . 1 1 26 26 ALA CA C 13 52.498 0.040 . 1 . 139 . . 26 ALA CA . 26839 1
151 . 1 1 26 26 ALA CB C 13 19.321 0.128 . 1 . 193 . . 26 ALA CB . 26839 1
152 . 1 1 26 26 ALA N N 15 124.742 0.009 . 1 . 64 . . 26 ALA N . 26839 1
153 . 1 1 27 27 LYS H H 1 8.125 0.001 . 1 . 43 . . 27 LYS H . 26839 1
154 . 1 1 27 27 LYS HA H 1 4.257 0.003 . 1 . 441 . . 27 LYS HA . 26839 1
155 . 1 1 27 27 LYS HB2 H 1 1.737 0.003 . 1 . 443 . . 27 LYS HB2 . 26839 1
156 . 1 1 27 27 LYS HB3 H 1 1.737 0.003 . 1 . 442 . . 27 LYS HB3 . 26839 1
157 . 1 1 27 27 LYS C C 13 176.170 0.003 . 1 . 279 . . 27 LYS C . 26839 1
158 . 1 1 27 27 LYS CA C 13 56.165 0.024 . 1 . 132 . . 27 LYS CA . 26839 1
159 . 1 1 27 27 LYS CB C 13 33.187 0.069 . 1 . 194 . . 27 LYS CB . 26839 1
160 . 1 1 27 27 LYS N N 15 120.555 0.007 . 1 . 44 . . 27 LYS N . 26839 1
161 . 1 1 28 28 ARG H H 1 8.350 0.001 . 1 . 100 . . 28 ARG H . 26839 1
162 . 1 1 28 28 ARG HA H 1 4.353 0.003 . 1 . 439 . . 28 ARG HA . 26839 1
163 . 1 1 28 28 ARG HB2 H 1 1.759 0.003 . 1 . 438 . . 28 ARG HB2 . 26839 1
164 . 1 1 28 28 ARG HB3 H 1 1.759 0.003 . 1 . 440 . . 28 ARG HB3 . 26839 1
165 . 1 1 28 28 ARG C C 13 175.909 0.006 . 1 . 120 . . 28 ARG C . 26839 1
166 . 1 1 28 28 ARG CA C 13 55.815 0.037 . 1 . 285 . . 28 ARG CA . 26839 1
167 . 1 1 28 28 ARG CB C 13 30.788 0.054 . 1 . 205 . . 28 ARG CB . 26839 1
168 . 1 1 28 28 ARG N N 15 123.469 0.012 . 1 . 101 . . 28 ARG N . 26839 1
169 . 1 1 29 29 GLU H H 1 8.334 0.002 . 1 . 98 . . 29 GLU H . 26839 1
170 . 1 1 29 29 GLU HA H 1 4.523 0.003 . 1 . 436 . . 29 GLU HA . 26839 1
171 . 1 1 29 29 GLU HB2 H 1 1.937 0.003 . 2 . 437 . . 29 GLU HB2 . 26839 1
172 . 1 1 29 29 GLU HB3 H 1 2.033 0.003 . 2 . 435 . . 29 GLU HB3 . 26839 1
173 . 1 1 29 29 GLU C C 13 176.979 0.006 . 1 . 216 . . 29 GLU C . 26839 1
174 . 1 1 29 29 GLU CA C 13 55.965 0.040 . 1 . 109 . . 29 GLU CA . 26839 1
175 . 1 1 29 29 GLU CB C 13 31.766 0.108 . 1 . 206 . . 29 GLU CB . 26839 1
176 . 1 1 29 29 GLU N N 15 123.878 0.020 . 1 . 99 . . 29 GLU N . 26839 1
177 . 1 1 30 30 THR H H 1 8.816 0.002 . 1 . 37 . . 30 THR H . 26839 1
178 . 1 1 30 30 THR C C 13 173.465 0.009 . 1 . 249 . . 30 THR C . 26839 1
179 . 1 1 30 30 THR CA C 13 60.448 0.036 . 1 . 108 . . 30 THR CA . 26839 1
180 . 1 1 30 30 THR CB C 13 68.183 0.030 . 1 . 197 . . 30 THR CB . 26839 1
181 . 1 1 30 30 THR N N 15 117.725 0.021 . 1 . 38 . . 30 THR N . 26839 1
182 . 1 1 31 31 PRO HA H 1 4.204 0.003 . 1 . 432 . . 31 PRO HA . 26839 1
183 . 1 1 31 31 PRO HB2 H 1 1.914 0.003 . 2 . 434 . . 31 PRO HB2 . 26839 1
184 . 1 1 31 31 PRO HB3 H 1 2.378 0.003 . 2 . 433 . . 31 PRO HB3 . 26839 1
185 . 1 1 31 31 PRO C C 13 179.083 0.003 . 1 . 110 . . 31 PRO C . 26839 1
186 . 1 1 31 31 PRO CA C 13 65.820 0.045 . 1 . 111 . . 31 PRO CA . 26839 1
187 . 1 1 31 31 PRO CB C 13 31.663 0.099 . 1 . 247 . . 31 PRO CB . 26839 1
188 . 1 1 31 31 PRO N N 15 135.537 0.145 . 1 . 308 . . 31 PRO N . 26839 1
189 . 1 1 32 32 GLU H H 1 8.778 0.002 . 1 . 75 . . 32 GLU H . 26839 1
190 . 1 1 32 32 GLU HA H 1 4.048 0.003 . 1 . 431 . . 32 GLU HA . 26839 1
191 . 1 1 32 32 GLU HB2 H 1 1.991 0.003 . 1 . 429 . . 32 GLU HB2 . 26839 1
192 . 1 1 32 32 GLU HB3 H 1 1.991 0.003 . 1 . 430 . . 32 GLU HB3 . 26839 1
193 . 1 1 32 32 GLU C C 13 179.522 0.001 . 1 . 245 . . 32 GLU C . 26839 1
194 . 1 1 32 32 GLU CA C 13 60.250 0.029 . 1 . 112 . . 32 GLU CA . 26839 1
195 . 1 1 32 32 GLU CB C 13 28.837 0.091 . 1 . 246 . . 32 GLU CB . 26839 1
196 . 1 1 32 32 GLU N N 15 117.254 0.014 . 1 . 76 . . 32 GLU N . 26839 1
197 . 1 1 33 33 GLU H H 1 7.815 0.002 . 1 . 23 . . 33 GLU H . 26839 1
198 . 1 1 33 33 GLU HA H 1 3.999 0.003 . 1 . 428 . . 33 GLU HA . 26839 1
199 . 1 1 33 33 GLU HB2 H 1 2.016 0.003 . 2 . 426 . . 33 GLU HB2 . 26839 1
200 . 1 1 33 33 GLU HB3 H 1 2.329 0.003 . 2 . 427 . . 33 GLU HB3 . 26839 1
201 . 1 1 33 33 GLU C C 13 179.438 0.006 . 1 . 224 . . 33 GLU C . 26839 1
202 . 1 1 33 33 GLU CA C 13 58.776 0.052 . 1 . 129 . . 33 GLU CA . 26839 1
203 . 1 1 33 33 GLU CB C 13 30.136 0.006 . 1 . 214 . . 33 GLU CB . 26839 1
204 . 1 1 33 33 GLU N N 15 121.647 0.011 . 1 . 24 . . 33 GLU N . 26839 1
205 . 1 1 34 34 ARG H H 1 8.496 0.002 . 1 . 35 . . 34 ARG H . 26839 1
206 . 1 1 34 34 ARG HA H 1 3.955 0.003 . 1 . 423 . . 34 ARG HA . 26839 1
207 . 1 1 34 34 ARG HB2 H 1 1.736 0.003 . 2 . 425 . . 34 ARG HB2 . 26839 1
208 . 1 1 34 34 ARG HB3 H 1 1.922 0.003 . 2 . 424 . . 34 ARG HB3 . 26839 1
209 . 1 1 34 34 ARG C C 13 177.520 0.007 . 1 . 220 . . 34 ARG C . 26839 1
210 . 1 1 34 34 ARG CA C 13 59.564 0.025 . 1 . 293 . . 34 ARG CA . 26839 1
211 . 1 1 34 34 ARG CB C 13 29.759 0.006 . 1 . 294 . . 34 ARG CB . 26839 1
212 . 1 1 34 34 ARG N N 15 121.905 0.009 . 1 . 36 . . 34 ARG N . 26839 1
213 . 1 1 35 35 GLU H H 1 8.058 0.002 . 1 . 31 . . 35 GLU H . 26839 1
214 . 1 1 35 35 GLU HA H 1 3.934 0.003 . 1 . 420 . . 35 GLU HA . 26839 1
215 . 1 1 35 35 GLU HB2 H 1 2.075 0.003 . 1 . 421 . . 35 GLU HB2 . 26839 1
216 . 1 1 35 35 GLU HB3 H 1 2.075 0.003 . 1 . 422 . . 35 GLU HB3 . 26839 1
217 . 1 1 35 35 GLU C C 13 179.168 0.004 . 1 . 248 . . 35 GLU C . 26839 1
218 . 1 1 35 35 GLU CA C 13 59.362 0.035 . 1 . 289 . . 35 GLU CA . 26839 1
219 . 1 1 35 35 GLU CB C 13 29.186 0.002 . 1 . 288 . . 35 GLU CB . 26839 1
220 . 1 1 35 35 GLU N N 15 117.407 0.013 . 1 . 32 . . 35 GLU N . 26839 1
221 . 1 1 36 36 GLU H H 1 7.692 0.003 . 1 . 85 . . 36 GLU H . 26839 1
222 . 1 1 36 36 GLU HA H 1 4.102 0.003 . 1 . 417 . . 36 GLU HA . 26839 1
223 . 1 1 36 36 GLU HB2 H 1 2.053 0.003 . 1 . 418 . . 36 GLU HB2 . 26839 1
224 . 1 1 36 36 GLU HB3 H 1 2.053 0.003 . 1 . 419 . . 36 GLU HB3 . 26839 1
225 . 1 1 36 36 GLU C C 13 177.943 0.009 . 1 . 255 . . 36 GLU C . 26839 1
226 . 1 1 36 36 GLU CA C 13 58.814 0.021 . 1 . 291 . . 36 GLU CA . 26839 1
227 . 1 1 36 36 GLU CB C 13 29.275 0.003 . 1 . 290 . . 36 GLU CB . 26839 1
228 . 1 1 36 36 GLU N N 15 119.121 0.018 . 1 . 86 . . 36 GLU N . 26839 1
229 . 1 1 37 37 ARG H H 1 8.109 0.002 . 1 . 5 . . 37 ARG H . 26839 1
230 . 1 1 37 37 ARG HA H 1 3.995 0.003 . 1 . 416 . . 37 ARG HA . 26839 1
231 . 1 1 37 37 ARG HB2 H 1 1.780 0.003 . 2 . 414 . . 37 ARG HB2 . 26839 1
232 . 1 1 37 37 ARG HB3 H 1 2.090 0.003 . 2 . 415 . . 37 ARG HB3 . 26839 1
233 . 1 1 37 37 ARG C C 13 178.674 0.003 . 1 . 225 . . 37 ARG C . 26839 1
234 . 1 1 37 37 ARG CA C 13 59.772 0.085 . 1 . 228 . . 37 ARG CA . 26839 1
235 . 1 1 37 37 ARG CB C 13 29.272 0.083 . 1 . 229 . . 37 ARG CB . 26839 1
236 . 1 1 37 37 ARG N N 15 121.226 0.008 . 1 . 6 . . 37 ARG N . 26839 1
237 . 1 1 38 38 ILE H H 1 8.410 0.001 . 1 . 89 . . 38 ILE H . 26839 1
238 . 1 1 38 38 ILE HA H 1 3.701 0.003 . 1 . 412 . . 38 ILE HA . 26839 1
239 . 1 1 38 38 ILE HB H 1 1.863 0.003 . 1 . 413 . . 38 ILE HB . 26839 1
240 . 1 1 38 38 ILE C C 13 178.238 0.006 . 1 . 262 . . 38 ILE C . 26839 1
241 . 1 1 38 38 ILE CA C 13 64.754 0.057 . 1 . 114 . . 38 ILE CA . 26839 1
242 . 1 1 38 38 ILE CB C 13 37.697 0.106 . 1 . 263 . . 38 ILE CB . 26839 1
243 . 1 1 38 38 ILE N N 15 119.860 0.021 . 1 . 90 . . 38 ILE N . 26839 1
244 . 1 1 39 39 ARG H H 1 7.889 0.001 . 1 . 59 . . 39 ARG H . 26839 1
245 . 1 1 39 39 ARG HA H 1 3.977 0.003 . 1 . 490 . . 39 ARG HA . 26839 1
246 . 1 1 39 39 ARG HB2 H 1 1.941 0.003 . 1 . 491 . . 39 ARG HB2 . 26839 1
247 . 1 1 39 39 ARG HB3 H 1 1.941 0.003 . 1 . 492 . . 39 ARG HB3 . 26839 1
248 . 1 1 39 39 ARG C C 13 179.121 0.004 . 1 . 256 . . 39 ARG C . 26839 1
249 . 1 1 39 39 ARG CA C 13 59.754 0.035 . 1 . 137 . . 39 ARG CA . 26839 1
250 . 1 1 39 39 ARG CB C 13 30.025 0.021 . 1 . 292 . . 39 ARG CB . 26839 1
251 . 1 1 39 39 ARG N N 15 119.334 0.014 . 1 . 60 . . 39 ARG N . 26839 1
252 . 1 1 40 40 ARG H H 1 8.087 0.003 . 1 . 309 . . 40 ARG H . 26839 1
253 . 1 1 40 40 ARG HA H 1 4.094 0.003 . 1 . 409 . . 40 ARG HA . 26839 1
254 . 1 1 40 40 ARG HB2 H 1 1.979 0.003 . 1 . 410 . . 40 ARG HB2 . 26839 1
255 . 1 1 40 40 ARG HB3 H 1 1.979 0.003 . 1 . 411 . . 40 ARG HB3 . 26839 1
256 . 1 1 40 40 ARG C C 13 178.743 0.008 . 1 . 115 . . 40 ARG C . 26839 1
257 . 1 1 40 40 ARG CA C 13 59.113 0.020 . 1 . 276 . . 40 ARG CA . 26839 1
258 . 1 1 40 40 ARG CB C 13 29.771 0.012 . 1 . 275 . . 40 ARG CB . 26839 1
259 . 1 1 40 40 ARG N N 15 119.492 0.011 . 1 . 310 . . 40 ARG N . 26839 1
260 . 1 1 41 41 GLU H H 1 8.408 0.001 . 1 . 49 . . 41 GLU H . 26839 1
261 . 1 1 41 41 GLU HA H 1 4.049 0.003 . 1 . 406 . . 41 GLU HA . 26839 1
262 . 1 1 41 41 GLU HB2 H 1 2.262 0.003 . 2 . 407 . . 41 GLU HB2 . 26839 1
263 . 1 1 41 41 GLU HB3 H 1 2.025 0.003 . 2 . 408 . . 41 GLU HB3 . 26839 1
264 . 1 1 41 41 GLU C C 13 179.906 0.009 . 1 . 274 . . 41 GLU C . 26839 1
265 . 1 1 41 41 GLU CA C 13 59.477 0.015 . 1 . 311 . . 41 GLU CA . 26839 1
266 . 1 1 41 41 GLU CB C 13 29.585 0.114 . 1 . 312 . . 41 GLU CB . 26839 1
267 . 1 1 41 41 GLU N N 15 120.435 0.006 . 1 . 50 . . 41 GLU N . 26839 1
268 . 1 1 42 42 ILE H H 1 8.171 0.002 . 1 . 11 . . 42 ILE H . 26839 1
269 . 1 1 42 42 ILE HA H 1 3.758 0.003 . 1 . 404 . . 42 ILE HA . 26839 1
270 . 1 1 42 42 ILE HB H 1 1.989 0.003 . 1 . 405 . . 42 ILE HB . 26839 1
271 . 1 1 42 42 ILE C C 13 178.543 0.005 . 1 . 242 . . 42 ILE C . 26839 1
272 . 1 1 42 42 ILE CA C 13 65.024 0.033 . 1 . 126 . . 42 ILE CA . 26839 1
273 . 1 1 42 42 ILE CB C 13 38.098 0.141 . 1 . 243 . . 42 ILE CB . 26839 1
274 . 1 1 42 42 ILE N N 15 120.734 0.010 . 1 . 12 . . 42 ILE N . 26839 1
275 . 1 1 43 43 GLU H H 1 8.083 0.002 . 1 . 13 . . 43 GLU H . 26839 1
276 . 1 1 43 43 GLU HA H 1 4.081 0.003 . 1 . 401 . . 43 GLU HA . 26839 1
277 . 1 1 43 43 GLU HB2 H 1 2.137 0.003 . 1 . 402 . . 43 GLU HB2 . 26839 1
278 . 1 1 43 43 GLU HB3 H 1 2.137 0.003 . 1 . 403 . . 43 GLU HB3 . 26839 1
279 . 1 1 43 43 GLU C C 13 179.322 0.005 . 1 . 113 . . 43 GLU C . 26839 1
280 . 1 1 43 43 GLU CA C 13 59.376 0.063 . 1 . 127 . . 43 GLU CA . 26839 1
281 . 1 1 43 43 GLU CB C 13 29.657 0.139 . 1 . 240 . . 43 GLU CB . 26839 1
282 . 1 1 43 43 GLU N N 15 120.841 0.016 . 1 . 14 . . 43 GLU N . 26839 1
283 . 1 1 44 44 GLU H H 1 8.464 0.001 . 1 . 15 . . 44 GLU H . 26839 1
284 . 1 1 44 44 GLU HA H 1 4.098 0.003 . 1 . 398 . . 44 GLU HA . 26839 1
285 . 1 1 44 44 GLU HB2 H 1 2.110 0.003 . 1 . 399 . . 44 GLU HB2 . 26839 1
286 . 1 1 44 44 GLU HB3 H 1 2.110 0.003 . 1 . 400 . . 44 GLU HB3 . 26839 1
287 . 1 1 44 44 GLU C C 13 178.989 0.009 . 1 . 264 . . 44 GLU C . 26839 1
288 . 1 1 44 44 GLU CA C 13 59.182 0.034 . 1 . 297 . . 44 GLU CA . 26839 1
289 . 1 1 44 44 GLU CB C 13 29.477 0.091 . 1 . 295 . . 44 GLU CB . 26839 1
290 . 1 1 44 44 GLU N N 15 119.910 0.006 . 1 . 16 . . 44 GLU N . 26839 1
291 . 1 1 45 45 LYS H H 1 7.935 0.001 . 1 . 79 . . 45 LYS H . 26839 1
292 . 1 1 45 45 LYS HA H 1 4.020 0.003 . 1 . 395 . . 45 LYS HA . 26839 1
293 . 1 1 45 45 LYS HB2 H 1 1.985 0.003 . 1 . 397 . . 45 LYS HB2 . 26839 1
294 . 1 1 45 45 LYS HB3 H 1 1.985 0.003 . 1 . 396 . . 45 LYS HB3 . 26839 1
295 . 1 1 45 45 LYS C C 13 179.270 0.004 . 1 . 271 . . 45 LYS C . 26839 1
296 . 1 1 45 45 LYS CA C 13 59.513 0.037 . 1 . 298 . . 45 LYS CA . 26839 1
297 . 1 1 45 45 LYS CB C 13 32.412 0.087 . 1 . 296 . . 45 LYS CB . 26839 1
298 . 1 1 45 45 LYS N N 15 120.143 0.009 . 1 . 80 . . 45 LYS N . 26839 1
299 . 1 1 46 46 GLU H H 1 8.204 0.001 . 1 . 67 . . 46 GLU H . 26839 1
300 . 1 1 46 46 GLU HA H 1 4.200 0.003 . 1 . 392 . . 46 GLU HA . 26839 1
301 . 1 1 46 46 GLU HB2 H 1 2.119 0.003 . 1 . 393 . . 46 GLU HB2 . 26839 1
302 . 1 1 46 46 GLU HB3 H 1 2.119 0.003 . 1 . 394 . . 46 GLU HB3 . 26839 1
303 . 1 1 46 46 GLU C C 13 178.696 0.007 . 1 . 277 . . 46 GLU C . 26839 1
304 . 1 1 46 46 GLU CA C 13 58.662 0.047 . 1 . 177 . . 46 GLU CA . 26839 1
305 . 1 1 46 46 GLU CB C 13 29.225 0.085 . 1 . 278 . . 46 GLU CB . 26839 1
306 . 1 1 46 46 GLU N N 15 120.455 0.009 . 1 . 68 . . 46 GLU N . 26839 1
307 . 1 1 47 47 GLU H H 1 8.287 0.001 . 1 . 93 . . 47 GLU H . 26839 1
308 . 1 1 47 47 GLU HA H 1 4.102 0.003 . 1 . 389 . . 47 GLU HA . 26839 1
309 . 1 1 47 47 GLU HB2 H 1 2.124 0.003 . 1 . 390 . . 47 GLU HB2 . 26839 1
310 . 1 1 47 47 GLU HB3 H 1 2.124 0.003 . 1 . 391 . . 47 GLU HB3 . 26839 1
311 . 1 1 47 47 GLU C C 13 179.024 0.006 . 1 . 238 . . 47 GLU C . 26839 1
312 . 1 1 47 47 GLU CA C 13 58.976 0.030 . 1 . 299 . . 47 GLU CA . 26839 1
313 . 1 1 47 47 GLU CB C 13 29.361 0.003 . 1 . 304 . . 47 GLU CB . 26839 1
314 . 1 1 47 47 GLU N N 15 120.901 0.009 . 1 . 94 . . 47 GLU N . 26839 1
315 . 1 1 48 48 ARG H H 1 8.064 0.001 . 1 . 61 . . 48 ARG H . 26839 1
316 . 1 1 48 48 ARG HA H 1 4.141 0.003 . 1 . 386 . . 48 ARG HA . 26839 1
317 . 1 1 48 48 ARG HB2 H 1 1.930 0.003 . 1 . 387 . . 48 ARG HB2 . 26839 1
318 . 1 1 48 48 ARG HB3 H 1 1.930 0.003 . 1 . 388 . . 48 ARG HB3 . 26839 1
319 . 1 1 48 48 ARG C C 13 178.406 0.015 . 1 . 268 . . 48 ARG C . 26839 1
320 . 1 1 48 48 ARG CA C 13 58.720 0.071 . 1 . 270 . . 48 ARG CA . 26839 1
321 . 1 1 48 48 ARG CB C 13 30.023 0.028 . 1 . 269 . . 48 ARG CB . 26839 1
322 . 1 1 48 48 ARG N N 15 119.947 0.017 . 1 . 62 . . 48 ARG N . 26839 1
323 . 1 1 49 49 ARG H H 1 7.978 0.002 . 1 . 96 . . 49 ARG H . 26839 1
324 . 1 1 49 49 ARG HA H 1 4.104 0.003 . 1 . 383 . . 49 ARG HA . 26839 1
325 . 1 1 49 49 ARG HB2 H 1 1.946 0.003 . 1 . 384 . . 49 ARG HB2 . 26839 1
326 . 1 1 49 49 ARG HB3 H 1 1.946 0.003 . 1 . 385 . . 49 ARG HB3 . 26839 1
327 . 1 1 49 49 ARG C C 13 178.323 0.008 . 1 . 286 . . 49 ARG C . 26839 1
328 . 1 1 49 49 ARG CA C 13 58.702 0.028 . 1 . 302 . . 49 ARG CA . 26839 1
329 . 1 1 49 49 ARG CB C 13 29.549 0.014 . 1 . 300 . . 49 ARG CB . 26839 1
330 . 1 1 49 49 ARG N N 15 120.598 0.012 . 1 . 97 . . 49 ARG N . 26839 1
331 . 1 1 50 50 ARG H H 1 8.194 0.002 . 1 . 41 . . 50 ARG H . 26839 1
332 . 1 1 50 50 ARG HA H 1 4.098 0.003 . 1 . 382 . . 50 ARG HA . 26839 1
333 . 1 1 50 50 ARG HB2 H 1 1.927 0.003 . 1 . 380 . . 50 ARG HB2 . 26839 1
334 . 1 1 50 50 ARG HB3 H 1 1.927 0.003 . 1 . 381 . . 50 ARG HB3 . 26839 1
335 . 1 1 50 50 ARG C C 13 178.691 0.004 . 1 . 257 . . 50 ARG C . 26839 1
336 . 1 1 50 50 ARG CA C 13 59.196 0.013 . 1 . 303 . . 50 ARG CA . 26839 1
337 . 1 1 50 50 ARG CB C 13 30.114 0.039 . 1 . 301 . . 50 ARG CB . 26839 1
338 . 1 1 50 50 ARG N N 15 119.586 0.013 . 1 . 42 . . 50 ARG N . 26839 1
339 . 1 1 51 51 ALA H H 1 8.080 0.001 . 1 . 156 . . 51 ALA H . 26839 1
340 . 1 1 51 51 ALA HA H 1 4.203 0.003 . 1 . 379 . . 51 ALA HA . 26839 1
341 . 1 1 51 51 ALA HB1 H 1 1.513 0.003 . 1 . 378 . . 51 ALA HB1 . 26839 1
342 . 1 1 51 51 ALA HB2 H 1 1.513 0.003 . 1 . 378 . . 51 ALA HB2 . 26839 1
343 . 1 1 51 51 ALA HB3 H 1 1.513 0.003 . 1 . 378 . . 51 ALA HB3 . 26839 1
344 . 1 1 51 51 ALA C C 13 180.490 0.012 . 1 . 141 . . 51 ALA C . 26839 1
345 . 1 1 51 51 ALA CA C 13 54.763 0.034 . 1 . 164 . . 51 ALA CA . 26839 1
346 . 1 1 51 51 ALA CB C 13 18.246 0.142 . 1 . 195 . . 51 ALA CB . 26839 1
347 . 1 1 51 51 ALA N N 15 122.143 0.014 . 1 . 157 . . 51 ALA N . 26839 1
348 . 1 1 52 52 GLU H H 1 8.243 0.001 . 1 . 83 . . 52 GLU H . 26839 1
349 . 1 1 52 52 GLU HA H 1 4.079 0.003 . 1 . 375 . . 52 GLU HA . 26839 1
350 . 1 1 52 52 GLU HB2 H 1 2.115 0.003 . 1 . 376 . . 52 GLU HB2 . 26839 1
351 . 1 1 52 52 GLU HB3 H 1 2.115 0.003 . 1 . 377 . . 52 GLU HB3 . 26839 1
352 . 1 1 52 52 GLU C C 13 178.923 0.009 . 1 . 261 . . 52 GLU C . 26839 1
353 . 1 1 52 52 GLU CA C 13 58.962 0.054 . 1 . 142 . . 52 GLU CA . 26839 1
354 . 1 1 52 52 GLU CB C 13 29.521 0.124 . 1 . 196 . . 52 GLU CB . 26839 1
355 . 1 1 52 52 GLU N N 15 119.722 0.013 . 1 . 84 . . 52 GLU N . 26839 1
356 . 1 1 53 53 ASP H H 1 8.366 0.001 . 1 . 55 . . 53 ASP H . 26839 1
357 . 1 1 53 53 ASP HA H 1 4.465 0.003 . 1 . 374 . . 53 ASP HA . 26839 1
358 . 1 1 53 53 ASP HB2 H 1 2.759 0.003 . 1 . 373 . . 53 ASP HB2 . 26839 1
359 . 1 1 53 53 ASP HB3 H 1 2.759 0.003 . 1 . 372 . . 53 ASP HB3 . 26839 1
360 . 1 1 53 53 ASP C C 13 178.582 0.019 . 1 . 231 . . 53 ASP C . 26839 1
361 . 1 1 53 53 ASP CA C 13 57.009 0.087 . 1 . 178 . . 53 ASP CA . 26839 1
362 . 1 1 53 53 ASP CB C 13 40.381 0.069 . 1 . 235 . . 53 ASP CB . 26839 1
363 . 1 1 53 53 ASP N N 15 121.155 0.011 . 1 . 56 . . 53 ASP N . 26839 1
364 . 1 1 54 54 GLU H H 1 8.232 0.001 . 1 . 71 . . 54 GLU H . 26839 1
365 . 1 1 54 54 GLU HA H 1 4.113 0.003 . 1 . 484 . . 54 GLU HA . 26839 1
366 . 1 1 54 54 GLU HB2 H 1 2.116 0.003 . 1 . 485 . . 54 GLU HB2 . 26839 1
367 . 1 1 54 54 GLU HB3 H 1 2.116 0.003 . 1 . 486 . . 54 GLU HB3 . 26839 1
368 . 1 1 54 54 GLU C C 13 178.749 0.004 . 1 . 244 . . 54 GLU C . 26839 1
369 . 1 1 54 54 GLU CA C 13 59.093 0.044 . 1 . 280 . . 54 GLU CA . 26839 1
370 . 1 1 54 54 GLU CB C 13 29.511 0.083 . 1 . 281 . . 54 GLU CB . 26839 1
371 . 1 1 54 54 GLU N N 15 120.646 0.017 . 1 . 72 . . 54 GLU N . 26839 1
372 . 1 1 55 55 GLN H H 1 8.024 0.001 . 1 . 179 . . 55 GLN H . 26839 1
373 . 1 1 55 55 GLN HE21 H 1 6.843 0.005 . 1 . 183 . . 55 GLN HE21 . 26839 1
374 . 1 1 55 55 GLN HE22 H 1 7.646 0.001 . 1 . 87 . . 55 GLN HE22 . 26839 1
375 . 1 1 55 55 GLN C C 13 178.026 0.005 . 1 . 284 . . 55 GLN C . 26839 1
376 . 1 1 55 55 GLN CA C 13 58.476 0.008 . 1 . 472 . . 55 GLN CA . 26839 1
377 . 1 1 55 55 GLN CB C 13 28.133 0.037 . 1 . 287 . . 55 GLN CB . 26839 1
378 . 1 1 55 55 GLN CG C 13 33.597 0.017 . 1 . 190 . . 55 GLN CG . 26839 1
379 . 1 1 55 55 GLN CD C 13 180.159 0.035 . 1 . 185 . . 55 GLN CD . 26839 1
380 . 1 1 55 55 GLN N N 15 119.310 0.007 . 1 . 180 . . 55 GLN N . 26839 1
381 . 1 1 55 55 GLN NE2 N 15 112.205 0.056 . 1 . 88 . . 55 GLN NE2 . 26839 1
382 . 1 1 56 56 ARG H H 1 8.094 0.001 . 1 . 77 . . 56 ARG H . 26839 1
383 . 1 1 56 56 ARG C C 13 179.006 0.007 . 1 . 473 . . 56 ARG C . 26839 1
384 . 1 1 56 56 ARG CA C 13 58.814 0.008 . 1 . 475 . . 56 ARG CA . 26839 1
385 . 1 1 56 56 ARG CB C 13 29.786 0.001 . 1 . 478 . . 56 ARG CB . 26839 1
386 . 1 1 56 56 ARG N N 15 119.892 0.019 . 1 . 78 . . 56 ARG N . 26839 1
387 . 1 1 57 57 GLU H H 1 8.103 0.003 . 1 . 174 . . 57 GLU H . 26839 1
388 . 1 1 57 57 GLU C C 13 178.310 0.001 . 1 . 173 . . 57 GLU C . 26839 1
389 . 1 1 57 57 GLU CA C 13 58.821 0.006 . 1 . 476 . . 57 GLU CA . 26839 1
390 . 1 1 57 57 GLU CB C 13 29.476 0.017 . 1 . 479 . . 57 GLU CB . 26839 1
391 . 1 1 57 57 GLU N N 15 119.965 0.011 . 1 . 175 . . 57 GLU N . 26839 1
392 . 1 1 58 58 ARG H H 1 8.103 0.001 . 1 . 171 . . 58 ARG H . 26839 1
393 . 1 1 58 58 ARG HA H 1 4.189 0.003 . 1 . 493 . . 58 ARG HA . 26839 1
394 . 1 1 58 58 ARG HB2 H 1 1.930 0.003 . 1 . 494 . . 58 ARG HB2 . 26839 1
395 . 1 1 58 58 ARG HB3 H 1 1.930 0.003 . 1 . 495 . . 58 ARG HB3 . 26839 1
396 . 1 1 58 58 ARG C C 13 178.860 0.008 . 1 . 474 . . 58 ARG C . 26839 1
397 . 1 1 58 58 ARG CA C 13 58.804 0.015 . 1 . 477 . . 58 ARG CA . 26839 1
398 . 1 1 58 58 ARG CB C 13 30.412 0.010 . 1 . 480 . . 58 ARG CB . 26839 1
399 . 1 1 58 58 ARG N N 15 119.760 0.003 . 1 . 172 . . 58 ARG N . 26839 1
400 . 1 1 59 59 GLU H H 1 8.079 0.001 . 1 . 7 . . 59 GLU H . 26839 1
401 . 1 1 59 59 GLU HA H 1 4.126 0.003 . 1 . 489 . . 59 GLU HA . 26839 1
402 . 1 1 59 59 GLU HB2 H 1 2.086 0.003 . 1 . 487 . . 59 GLU HB2 . 26839 1
403 . 1 1 59 59 GLU HB3 H 1 2.086 0.003 . 1 . 488 . . 59 GLU HB3 . 26839 1
404 . 1 1 59 59 GLU C C 13 178.223 0.005 . 1 . 282 . . 59 GLU C . 26839 1
405 . 1 1 59 59 GLU CA C 13 58.403 0.014 . 1 . 470 . . 59 GLU CA . 26839 1
406 . 1 1 59 59 GLU CB C 13 29.314 0.016 . 1 . 471 . . 59 GLU CB . 26839 1
407 . 1 1 59 59 GLU N N 15 119.433 0.007 . 1 . 8 . . 59 GLU N . 26839 1
408 . 1 1 60 60 ARG H H 1 7.961 0.001 . 1 . 25 . . 60 ARG H . 26839 1
409 . 1 1 60 60 ARG HA H 1 4.064 0.003 . 1 . 369 . . 60 ARG HA . 26839 1
410 . 1 1 60 60 ARG HB2 H 1 1.922 0.003 . 1 . 370 . . 60 ARG HB2 . 26839 1
411 . 1 1 60 60 ARG HB3 H 1 1.922 0.003 . 1 . 371 . . 60 ARG HB3 . 26839 1
412 . 1 1 60 60 ARG C C 13 178.104 0.014 . 1 . 140 . . 60 ARG C . 26839 1
413 . 1 1 60 60 ARG CA C 13 58.693 0.032 . 1 . 469 . . 60 ARG CA . 26839 1
414 . 1 1 60 60 ARG CB C 13 30.248 0.002 . 1 . 468 . . 60 ARG CB . 26839 1
415 . 1 1 60 60 ARG N N 15 120.426 0.012 . 1 . 26 . . 60 ARG N . 26839 1
416 . 1 1 61 61 ASP H H 1 8.190 0.001 . 1 . 81 . . 61 ASP H . 26839 1
417 . 1 1 61 61 ASP HA H 1 4.473 0.003 . 1 . 366 . . 61 ASP HA . 26839 1
418 . 1 1 61 61 ASP HB2 H 1 2.734 0.003 . 1 . 368 . . 61 ASP HB2 . 26839 1
419 . 1 1 61 61 ASP HB3 H 1 2.734 0.003 . 1 . 367 . . 61 ASP HB3 . 26839 1
420 . 1 1 61 61 ASP C C 13 177.686 0.006 . 1 . 258 . . 61 ASP C . 26839 1
421 . 1 1 61 61 ASP CA C 13 56.230 0.070 . 1 . 260 . . 61 ASP CA . 26839 1
422 . 1 1 61 61 ASP CB C 13 40.930 0.061 . 1 . 259 . . 61 ASP CB . 26839 1
423 . 1 1 61 61 ASP N N 15 119.968 0.008 . 1 . 82 . . 61 ASP N . 26839 1
424 . 1 1 62 62 ARG H H 1 8.081 0.001 . 1 . 160 . . 62 ARG H . 26839 1
425 . 1 1 62 62 ARG HA H 1 4.164 0.003 . 1 . 365 . . 62 ARG HA . 26839 1
426 . 1 1 62 62 ARG HB2 H 1 1.920 0.003 . 1 . 363 . . 62 ARG HB2 . 26839 1
427 . 1 1 62 62 ARG HB3 H 1 1.920 0.003 . 1 . 364 . . 62 ARG HB3 . 26839 1
428 . 1 1 62 62 ARG C C 13 178.025 0.005 . 1 . 239 . . 62 ARG C . 26839 1
429 . 1 1 62 62 ARG CA C 13 58.228 0.042 . 1 . 162 . . 62 ARG CA . 26839 1
430 . 1 1 62 62 ARG CB C 13 30.284 0.002 . 1 . 241 . . 62 ARG CB . 26839 1
431 . 1 1 62 62 ARG N N 15 120.538 0.019 . 1 . 161 . . 62 ARG N . 26839 1
432 . 1 1 63 63 ARG H H 1 8.063 0.001 . 1 . 181 . . 63 ARG H . 26839 1
433 . 1 1 63 63 ARG HA H 1 4.143 0.003 . 1 . 362 . . 63 ARG HA . 26839 1
434 . 1 1 63 63 ARG HB2 H 1 1.884 0.003 . 1 . 360 . . 63 ARG HB2 . 26839 1
435 . 1 1 63 63 ARG HB3 H 1 1.884 0.003 . 1 . 361 . . 63 ARG HB3 . 26839 1
436 . 1 1 63 63 ARG C C 13 177.410 0.004 . 1 . 128 . . 63 ARG C . 26839 1
437 . 1 1 63 63 ARG CA C 13 57.961 0.031 . 1 . 267 . . 63 ARG CA . 26839 1
438 . 1 1 63 63 ARG CB C 13 30.147 0.023 . 1 . 266 . . 63 ARG CB . 26839 1
439 . 1 1 63 63 ARG N N 15 119.541 0.013 . 1 . 182 . . 63 ARG N . 26839 1
440 . 1 1 64 64 ARG H H 1 8.021 0.001 . 1 . 19 . . 64 ARG H . 26839 1
441 . 1 1 64 64 ARG HA H 1 4.186 0.003 . 1 . 359 . . 64 ARG HA . 26839 1
442 . 1 1 64 64 ARG HB2 H 1 1.822 0.003 . 1 . 357 . . 64 ARG HB2 . 26839 1
443 . 1 1 64 64 ARG HB3 H 1 1.822 0.003 . 1 . 358 . . 64 ARG HB3 . 26839 1
444 . 1 1 64 64 ARG C C 13 177.171 0.004 . 1 . 265 . . 64 ARG C . 26839 1
445 . 1 1 64 64 ARG CA C 13 57.559 0.045 . 1 . 319 . . 64 ARG CA . 26839 1
446 . 1 1 64 64 ARG CB C 13 30.278 0.083 . 1 . 318 . . 64 ARG CB . 26839 1
447 . 1 1 64 64 ARG N N 15 119.926 0.028 . 1 . 20 . . 64 ARG N . 26839 1
448 . 1 1 65 65 HIS H H 1 8.136 0.001 . 1 . 152 . . 65 HIS H . 26839 1
449 . 1 1 65 65 HIS HA H 1 4.489 0.003 . 1 . 356 . . 65 HIS HA . 26839 1
450 . 1 1 65 65 HIS HB2 H 1 3.151 0.003 . 1 . 354 . . 65 HIS HB2 . 26839 1
451 . 1 1 65 65 HIS HB3 H 1 3.151 0.003 . 1 . 355 . . 65 HIS HB3 . 26839 1
452 . 1 1 65 65 HIS C C 13 176.356 0.002 . 1 . 251 . . 65 HIS C . 26839 1
453 . 1 1 65 65 HIS CA C 13 57.583 0.025 . 1 . 317 . . 65 HIS CA . 26839 1
454 . 1 1 65 65 HIS CB C 13 30.328 0.089 . 1 . 315 . . 65 HIS CB . 26839 1
455 . 1 1 65 65 HIS N N 15 119.194 0.008 . 1 . 153 . . 65 HIS N . 26839 1
456 . 1 1 66 66 ARG H H 1 8.135 0.002 . 1 . 227 . . 66 ARG H . 26839 1
457 . 1 1 66 66 ARG HA H 1 4.208 0.003 . 1 . 353 . . 66 ARG HA . 26839 1
458 . 1 1 66 66 ARG HB2 H 1 1.852 0.003 . 1 . 351 . . 66 ARG HB2 . 26839 1
459 . 1 1 66 66 ARG HB3 H 1 1.852 0.003 . 1 . 352 . . 66 ARG HB3 . 26839 1
460 . 1 1 66 66 ARG C C 13 177.015 0.009 . 1 . 119 . . 66 ARG C . 26839 1
461 . 1 1 66 66 ARG CA C 13 57.172 0.022 . 1 . 233 . . 66 ARG CA . 26839 1
462 . 1 1 66 66 ARG CB C 13 30.538 0.040 . 1 . 234 . . 66 ARG CB . 26839 1
463 . 1 1 66 66 ARG N N 15 121.268 0.014 . 1 . 226 . . 66 ARG N . 26839 1
464 . 1 1 67 67 GLU H H 1 8.354 0.001 . 1 . 27 . . 67 GLU H . 26839 1
465 . 1 1 67 67 GLU HA H 1 4.205 0.003 . 1 . 350 . . 67 GLU HA . 26839 1
466 . 1 1 67 67 GLU HB2 H 1 2.029 0.003 . 1 . 348 . . 67 GLU HB2 . 26839 1
467 . 1 1 67 67 GLU HB3 H 1 2.029 0.003 . 1 . 349 . . 67 GLU HB3 . 26839 1
468 . 1 1 67 67 GLU C C 13 177.234 0.002 . 1 . 232 . . 67 GLU C . 26839 1
469 . 1 1 67 67 GLU CA C 13 57.186 0.031 . 1 . 316 . . 67 GLU CA . 26839 1
470 . 1 1 67 67 GLU CB C 13 29.863 0.034 . 1 . 314 . . 67 GLU CB . 26839 1
471 . 1 1 67 67 GLU N N 15 120.772 0.007 . 1 . 28 . . 67 GLU N . 26839 1
472 . 1 1 68 68 MET H H 1 8.247 0.001 . 1 . 53 . . 68 MET H . 26839 1
473 . 1 1 68 68 MET HA H 1 4.423 0.003 . 1 . 347 . . 68 MET HA . 26839 1
474 . 1 1 68 68 MET HB2 H 1 2.076 0.003 . 1 . 345 . . 68 MET HB2 . 26839 1
475 . 1 1 68 68 MET HB3 H 1 2.076 0.003 . 1 . 346 . . 68 MET HB3 . 26839 1
476 . 1 1 68 68 MET C C 13 176.765 0.006 . 1 . 272 . . 68 MET C . 26839 1
477 . 1 1 68 68 MET CA C 13 56.140 0.047 . 1 . 136 . . 68 MET CA . 26839 1
478 . 1 1 68 68 MET CB C 13 32.615 0.159 . 1 . 273 . . 68 MET CB . 26839 1
479 . 1 1 68 68 MET N N 15 120.184 0.022 . 1 . 54 . . 68 MET N . 26839 1
480 . 1 1 69 69 SER H H 1 8.145 0.002 . 1 . 145 . . 69 SER H . 26839 1
481 . 1 1 69 69 SER HA H 1 4.373 0.003 . 1 . 344 . . 69 SER HA . 26839 1
482 . 1 1 69 69 SER HB2 H 1 3.857 0.003 . 1 . 343 . . 69 SER HB2 . 26839 1
483 . 1 1 69 69 SER HB3 H 1 3.857 0.003 . 1 . 342 . . 69 SER HB3 . 26839 1
484 . 1 1 69 69 SER C C 13 174.439 0.006 . 1 . 166 . . 69 SER C . 26839 1
485 . 1 1 69 69 SER CA C 13 58.942 0.056 . 1 . 147 . . 69 SER CA . 26839 1
486 . 1 1 69 69 SER CB C 13 63.659 0.020 . 1 . 202 . . 69 SER CB . 26839 1
487 . 1 1 69 69 SER N N 15 116.109 0.037 . 1 . 146 . . 69 SER N . 26839 1
488 . 1 1 70 70 LYS H H 1 8.088 0.002 . 1 . 154 . . 70 LYS H . 26839 1
489 . 1 1 70 70 LYS HA H 1 4.312 0.003 . 1 . 341 . . 70 LYS HA . 26839 1
490 . 1 1 70 70 LYS HB2 H 1 1.773 0.003 . 2 . 340 . . 70 LYS HB2 . 26839 1
491 . 1 1 70 70 LYS HB3 H 1 1.838 0.003 . 2 . 339 . . 70 LYS HB3 . 26839 1
492 . 1 1 70 70 LYS C C 13 176.138 0.008 . 1 . 217 . . 70 LYS C . 26839 1
493 . 1 1 70 70 LYS CA C 13 56.431 0.040 . 1 . 165 . . 70 LYS CA . 26839 1
494 . 1 1 70 70 LYS CB C 13 32.876 0.084 . 1 . 209 . . 70 LYS CB . 26839 1
495 . 1 1 70 70 LYS N N 15 122.382 0.039 . 1 . 155 . . 70 LYS N . 26839 1
496 . 1 1 71 71 LEU H H 1 8.099 0.001 . 1 . 73 . . 71 LEU H . 26839 1
497 . 1 1 71 71 LEU HA H 1 4.342 0.003 . 1 . 338 . . 71 LEU HA . 26839 1
498 . 1 1 71 71 LEU HB2 H 1 1.609 0.003 . 1 . 337 . . 71 LEU HB2 . 26839 1
499 . 1 1 71 71 LEU HB3 H 1 1.609 0.003 . 1 . 336 . . 71 LEU HB3 . 26839 1
500 . 1 1 71 71 LEU C C 13 176.140 0.005 . 1 . 124 . . 71 LEU C . 26839 1
501 . 1 1 71 71 LEU CA C 13 55.119 0.037 . 1 . 176 . . 71 LEU CA . 26839 1
502 . 1 1 71 71 LEU CB C 13 42.160 0.036 . 1 . 207 . . 71 LEU CB . 26839 1
503 . 1 1 71 71 LEU N N 15 123.066 0.010 . 1 . 74 . . 71 LEU N . 26839 1
504 . 1 1 72 72 LEU H H 1 7.651 0.002 . 1 . 65 . . 72 LEU H . 26839 1
505 . 1 1 72 72 LEU C C 13 182.274 0.004 . 1 . 215 . . 72 LEU C . 26839 1
506 . 1 1 72 72 LEU CA C 13 56.639 0.019 . 1 . 125 . . 72 LEU CA . 26839 1
507 . 1 1 72 72 LEU CB C 13 43.466 0.030 . 1 . 204 . . 72 LEU CB . 26839 1
508 . 1 1 72 72 LEU N N 15 128.121 0.005 . 1 . 66 . . 72 LEU N . 26839 1
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