Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 27724
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CondSet1
_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/HMQC' 1 $H2O isotropic 27724 1
2 '3D HNCACB' 1 $H2O isotropic 27724 1
3 'APO_CBCACONH (H[N[co[{CA|ca[C]}]]])' 1 $H2O isotropic 27724 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 . . 27724 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 2 2 GLU CA C 13 56.293 0.012 . 1 . . 524 . . 2 GLU CA . 27724 1
2 . 1 . 1 2 2 GLU CB C 13 30.518 0.037 . 1 . . 523 . . 2 GLU CB . 27724 1
3 . 1 . 1 3 3 PHE H H 1 8.616 0.005 . 1 . . 375 . . 3 PHE H . 27724 1
4 . 1 . 1 3 3 PHE CA C 13 59.171 0.046 . 1 . . 374 . . 3 PHE CA . 27724 1
5 . 1 . 1 3 3 PHE CB C 13 40.419 0.024 . 1 . . 372 . . 3 PHE CB . 27724 1
6 . 1 . 1 3 3 PHE N N 15 124.345 0.029 . 1 . . 367 . . 3 PHE N . 27724 1
7 . 1 . 1 4 4 THR H H 1 7.222 0.004 . 1 . . 227 . . 4 THR H . 27724 1
8 . 1 . 1 4 4 THR CA C 13 60.262 0.045 . 1 . . 226 . . 4 THR CA . 27724 1
9 . 1 . 1 4 4 THR CB C 13 70.569 0.061 . 1 . . 225 . . 4 THR CB . 27724 1
10 . 1 . 1 4 4 THR N N 15 122.448 0.027 . 1 . . 223 . . 4 THR N . 27724 1
11 . 1 . 1 5 5 VAL H H 1 8.039 0.002 . 1 . . 96 . . 5 VAL H . 27724 1
12 . 1 . 1 5 5 VAL CA C 13 62.905 0.023 . 1 . . 97 . . 5 VAL CA . 27724 1
13 . 1 . 1 5 5 VAL CB C 13 32.686 0.097 . 1 . . 98 . . 5 VAL CB . 27724 1
14 . 1 . 1 5 5 VAL N N 15 123.674 0.012 . 1 . . 94 . . 5 VAL N . 27724 1
15 . 1 . 1 6 6 SER H H 1 9.738 0.006 . 1 . . 426 . . 6 SER H . 27724 1
16 . 1 . 1 6 6 SER CA C 13 60.319 0.039 . 1 . . 425 . . 6 SER CA . 27724 1
17 . 1 . 1 6 6 SER CB C 13 64.849 0.022 . 1 . . 424 . . 6 SER CB . 27724 1
18 . 1 . 1 6 6 SER N N 15 125.564 0.038 . 1 . . 422 . . 6 SER N . 27724 1
19 . 1 . 1 7 7 THR H H 1 9.682 0.003 . 1 . . 209 . . 7 THR H . 27724 1
20 . 1 . 1 7 7 THR CA C 13 60.428 0.05 . 1 . . 208 . . 7 THR CA . 27724 1
21 . 1 . 1 7 7 THR CB C 13 72.331 0.043 . 1 . . 207 . . 7 THR CB . 27724 1
22 . 1 . 1 7 7 THR N N 15 116.655 0.017 . 1 . . 205 . . 7 THR N . 27724 1
23 . 1 . 1 8 8 THR H H 1 8.920 0.004 . 1 . . 174 . . 8 THR H . 27724 1
24 . 1 . 1 8 8 THR CA C 13 66.642 0.051 . 1 . . 175 . . 8 THR CA . 27724 1
25 . 1 . 1 8 8 THR CB C 13 68.558 0.07 . 1 . . 176 . . 8 THR CB . 27724 1
26 . 1 . 1 8 8 THR N N 15 115.663 0.025 . 1 . . 172 . . 8 THR N . 27724 1
27 . 1 . 1 9 9 GLU H H 1 8.374 0.002 . 1 . . 143 . . 9 GLU H . 27724 1
28 . 1 . 1 9 9 GLU CA C 13 60.168 0.026 . 1 . . 142 . . 9 GLU CA . 27724 1
29 . 1 . 1 9 9 GLU CB C 13 28.988 0.044 . 1 . . 141 . . 9 GLU CB . 27724 1
30 . 1 . 1 9 9 GLU N N 15 121.537 0.017 . 1 . . 139 . . 9 GLU N . 27724 1
31 . 1 . 1 10 10 ASP H H 1 7.460 0.004 . 1 . . 290 . . 10 ASP H . 27724 1
32 . 1 . 1 10 10 ASP CA C 13 57.234 0.04 . 1 . . 289 . . 10 ASP CA . 27724 1
33 . 1 . 1 10 10 ASP CB C 13 40.636 0.017 . 1 . . 288 . . 10 ASP CB . 27724 1
34 . 1 . 1 10 10 ASP N N 15 120.866 0.021 . 1 . . 286 . . 10 ASP N . 27724 1
35 . 1 . 1 11 11 LEU H H 1 8.050 0.004 . 1 . . 420 . . 11 LEU H . 27724 1
36 . 1 . 1 11 11 LEU CA C 13 58.435 0.026 . 1 . . 419 . . 11 LEU CA . 27724 1
37 . 1 . 1 11 11 LEU CB C 13 41.340 0.039 . 1 . . 418 . . 11 LEU CB . 27724 1
38 . 1 . 1 11 11 LEU N N 15 117.949 0.007 . 1 . . 416 . . 11 LEU N . 27724 1
39 . 1 . 1 12 12 GLN H H 1 7.971 0.003 . 1 . . 543 . . 12 GLN H . 27724 1
40 . 1 . 1 12 12 GLN HE21 H 1 6.948 0.003 . 1 . . 546 . . 12 GLN HE21 . 27724 1
41 . 1 . 1 12 12 GLN HE22 H 1 7.442 0.001 . 1 . . 547 . . 12 GLN HE22 . 27724 1
42 . 1 . 1 12 12 GLN CA C 13 59.449 0.02 . 1 . . 544 . . 12 GLN CA . 27724 1
43 . 1 . 1 12 12 GLN CB C 13 28.050 0.038 . 1 . . 545 . . 12 GLN CB . 27724 1
44 . 1 . 1 12 12 GLN CG C 13 33.756 0.005 . 1 . . 872 . . 12 GLN CG . 27724 1
45 . 1 . 1 12 12 GLN N N 15 117.588 0.005 . 1 . . 540 . . 12 GLN N . 27724 1
46 . 1 . 1 12 12 GLN NE2 N 15 111.657 0.281 . 1 . . 541 . . 12 GLN NE2 . 27724 1
47 . 1 . 1 13 13 ARG H H 1 7.457 0.004 . 1 . . 407 . . 13 ARG H . 27724 1
48 . 1 . 1 13 13 ARG CA C 13 59.738 0.035 . 1 . . 408 . . 13 ARG CA . 27724 1
49 . 1 . 1 13 13 ARG CB C 13 29.895 0.027 . 1 . . 409 . . 13 ARG CB . 27724 1
50 . 1 . 1 13 13 ARG N N 15 121.695 0.018 . 1 . . 405 . . 13 ARG N . 27724 1
51 . 1 . 1 14 14 TYR H H 1 8.656 0.003 . 1 . . 200 . . 14 TYR H . 27724 1
52 . 1 . 1 14 14 TYR CA C 13 57.929 0.009 . 1 . . 199 . . 14 TYR CA . 27724 1
53 . 1 . 1 14 14 TYR CB C 13 37.044 0.04 . 1 . . 197 . . 14 TYR CB . 27724 1
54 . 1 . 1 14 14 TYR N N 15 119.715 0.011 . 1 . . 193 . . 14 TYR N . 27724 1
55 . 1 . 1 15 15 ARG H H 1 9.013 0.002 . 1 . . 816 . . 15 ARG H . 27724 1
56 . 1 . 1 15 15 ARG CA C 13 60.094 0.017 . 1 . . 815 . . 15 ARG CA . 27724 1
57 . 1 . 1 15 15 ARG CB C 13 30.628 0.025 . 1 . . 814 . . 15 ARG CB . 27724 1
58 . 1 . 1 15 15 ARG N N 15 119.798 0.008 . 1 . . 812 . . 15 ARG N . 27724 1
59 . 1 . 1 16 16 THR H H 1 7.862 0.004 . 1 . . 330 . . 16 THR H . 27724 1
60 . 1 . 1 16 16 THR CA C 13 66.865 0.041 . 1 . . 329 . . 16 THR CA . 27724 1
61 . 1 . 1 16 16 THR CB C 13 68.846 0.107 . 1 . . 328 . . 16 THR CB . 27724 1
62 . 1 . 1 16 16 THR N N 15 115.935 0.003 . 1 . . 326 . . 16 THR N . 27724 1
63 . 1 . 1 17 17 GLU H H 1 8.785 0.003 . 1 . . 578 . . 17 GLU H . 27724 1
64 . 1 . 1 17 17 GLU CA C 13 59.618 0.015 . 1 . . 577 . . 17 GLU CA . 27724 1
65 . 1 . 1 17 17 GLU CB C 13 30.287 0.035 . 1 . . 576 . . 17 GLU CB . 27724 1
66 . 1 . 1 17 17 GLU N N 15 122.239 0.013 . 1 . . 574 . . 17 GLU N . 27724 1
67 . 1 . 1 18 18 CYS H H 1 8.863 0.003 . 1 . . 353 . . 18 CYS H . 27724 1
68 . 1 . 1 18 18 CYS CA C 13 59.591 0.009 . 1 . . 354 . . 18 CYS CA . 27724 1
69 . 1 . 1 18 18 CYS CB C 13 41.707 0.065 . 1 . . 355 . . 18 CYS CB . 27724 1
70 . 1 . 1 18 18 CYS N N 15 118.811 0.014 . 1 . . 351 . . 18 CYS N . 27724 1
71 . 1 . 1 19 19 VAL H H 1 8.782 0.004 . 1 . . 302 . . 19 VAL H . 27724 1
72 . 1 . 1 19 19 VAL CA C 13 66.923 0.011 . 1 . . 303 . . 19 VAL CA . 27724 1
73 . 1 . 1 19 19 VAL CB C 13 31.743 0.054 . 1 . . 304 . . 19 VAL CB . 27724 1
74 . 1 . 1 19 19 VAL N N 15 120.320 0.02 . 1 . . 300 . . 19 VAL N . 27724 1
75 . 1 . 1 20 20 SER H H 1 7.778 0.006 . 1 . . 192 . . 20 SER H . 27724 1
76 . 1 . 1 20 20 SER CA C 13 61.116 0.075 . 1 . . 191 . . 20 SER CA . 27724 1
77 . 1 . 1 20 20 SER CB C 13 63.000 0.073 . 1 . . 190 . . 20 SER CB . 27724 1
78 . 1 . 1 20 20 SER N N 15 112.771 0.01 . 1 . . 188 . . 20 SER N . 27724 1
79 . 1 . 1 21 21 SER H H 1 8.663 0.002 . 1 . . 782 . . 21 SER H . 27724 1
80 . 1 . 1 21 21 SER CA C 13 61.617 0.137 . 1 . . 783 . . 21 SER CA . 27724 1
81 . 1 . 1 21 21 SER CB C 13 63.008 0.098 . 1 . . 784 . . 21 SER CB . 27724 1
82 . 1 . 1 21 21 SER N N 15 116.868 0.01 . 1 . . 780 . . 21 SER N . 27724 1
83 . 1 . 1 22 22 LEU H H 1 7.829 0.002 . 1 . . 779 . . 22 LEU H . 27724 1
84 . 1 . 1 22 22 LEU CA C 13 54.617 0.019 . 1 . . 778 . . 22 LEU CA . 27724 1
85 . 1 . 1 22 22 LEU CB C 13 41.807 0.028 . 1 . . 777 . . 22 LEU CB . 27724 1
86 . 1 . 1 22 22 LEU N N 15 118.546 0.048 . 1 . . 775 . . 22 LEU N . 27724 1
87 . 1 . 1 23 23 ASN H H 1 7.794 0.005 . 1 . . 222 . . 23 ASN H . 27724 1
88 . 1 . 1 23 23 ASN HD21 H 1 7.518 . . 1 . . 219 . . 23 ASN HD21 . 27724 1
89 . 1 . 1 23 23 ASN HD22 H 1 6.772 0.0 . 1 . . 220 . . 23 ASN HD22 . 27724 1
90 . 1 . 1 23 23 ASN CA C 13 53.956 0.068 . 1 . . 221 . . 23 ASN CA . 27724 1
91 . 1 . 1 23 23 ASN CB C 13 37.029 0.083 . 1 . . 218 . . 23 ASN CB . 27724 1
92 . 1 . 1 23 23 ASN N N 15 118.801 0.014 . 1 . . 215 . . 23 ASN N . 27724 1
93 . 1 . 1 23 23 ASN ND2 N 15 112.319 0.029 . 1 . . 216 . . 23 ASN ND2 . 27724 1
94 . 1 . 1 24 24 ILE H H 1 8.009 0.002 . 1 . . 106 . . 24 ILE H . 27724 1
95 . 1 . 1 24 24 ILE CA C 13 58.431 . . 1 . . 107 . . 24 ILE CA . 27724 1
96 . 1 . 1 24 24 ILE CB C 13 37.429 . . 1 . . 108 . . 24 ILE CB . 27724 1
97 . 1 . 1 24 24 ILE N N 15 120.087 0.013 . 1 . . 104 . . 24 ILE N . 27724 1
98 . 1 . 1 25 25 PRO CA C 13 62.882 0.011 . 1 . . 693 . . 25 PRO CA . 27724 1
99 . 1 . 1 25 25 PRO CB C 13 33.334 0.035 . 1 . . 692 . . 25 PRO CB . 27724 1
100 . 1 . 1 26 26 ALA H H 1 8.718 0.002 . 1 . . 501 . . 26 ALA H . 27724 1
101 . 1 . 1 26 26 ALA CA C 13 55.768 0.017 . 1 . . 502 . . 26 ALA CA . 27724 1
102 . 1 . 1 26 26 ALA CB C 13 18.758 0.044 . 1 . . 503 . . 26 ALA CB . 27724 1
103 . 1 . 1 26 26 ALA N N 15 124.353 0.017 . 1 . . 499 . . 26 ALA N . 27724 1
104 . 1 . 1 27 27 ASP H H 1 8.978 0.002 . 1 . . 382 . . 27 ASP H . 27724 1
105 . 1 . 1 27 27 ASP CA C 13 56.552 0.048 . 1 . . 381 . . 27 ASP CA . 27724 1
106 . 1 . 1 27 27 ASP CB C 13 39.493 0.018 . 1 . . 380 . . 27 ASP CB . 27724 1
107 . 1 . 1 27 27 ASP N N 15 114.937 0.015 . 1 . . 378 . . 27 ASP N . 27724 1
108 . 1 . 1 28 28 TYR H H 1 7.361 0.006 . 1 . . 268 . . 28 TYR H . 27724 1
109 . 1 . 1 28 28 TYR CA C 13 61.704 0.005 . 1 . . 267 . . 28 TYR CA . 27724 1
110 . 1 . 1 28 28 TYR CB C 13 38.438 0.051 . 1 . . 265 . . 28 TYR CB . 27724 1
111 . 1 . 1 28 28 TYR N N 15 118.506 0.019 . 1 . . 261 . . 28 TYR N . 27724 1
112 . 1 . 1 29 29 VAL H H 1 7.181 0.004 . 1 . . 743 . . 29 VAL H . 27724 1
113 . 1 . 1 29 29 VAL CA C 13 67.464 0.01 . 1 . . 744 . . 29 VAL CA . 27724 1
114 . 1 . 1 29 29 VAL CB C 13 31.160 0.037 . 1 . . 745 . . 29 VAL CB . 27724 1
115 . 1 . 1 29 29 VAL N N 15 118.419 0.008 . 1 . . 741 . . 29 VAL N . 27724 1
116 . 1 . 1 30 30 GLU H H 1 7.433 0.004 . 1 . . 709 . . 30 GLU H . 27724 1
117 . 1 . 1 30 30 GLU CA C 13 58.863 0.0 . 1 . . 708 . . 30 GLU CA . 27724 1
118 . 1 . 1 30 30 GLU CB C 13 29.266 0.052 . 1 . . 707 . . 30 GLU CB . 27724 1
119 . 1 . 1 30 30 GLU N N 15 115.365 0.009 . 1 . . 705 . . 30 GLU N . 27724 1
120 . 1 . 1 31 31 LYS H H 1 6.742 0.005 . 1 . . 623 . . 31 LYS H . 27724 1
121 . 1 . 1 31 31 LYS CA C 13 60.101 0.032 . 1 . . 624 . . 31 LYS CA . 27724 1
122 . 1 . 1 31 31 LYS CB C 13 31.237 0.017 . 1 . . 625 . . 31 LYS CB . 27724 1
123 . 1 . 1 31 31 LYS N N 15 119.023 0.019 . 1 . . 621 . . 31 LYS N . 27724 1
124 . 1 . 1 32 32 PHE H H 1 8.518 0.002 . 1 . . 431 . . 32 PHE H . 27724 1
125 . 1 . 1 32 32 PHE CA C 13 56.767 0.019 . 1 . . 432 . . 32 PHE CA . 27724 1
126 . 1 . 1 32 32 PHE CB C 13 36.609 0.061 . 1 . . 995 . . 32 PHE CB . 27724 1
127 . 1 . 1 32 32 PHE N N 15 119.665 0.017 . 1 . . 427 . . 32 PHE N . 27724 1
128 . 1 . 1 33 33 LYS H H 1 8.280 0.003 . 1 . . 260 . . 33 LYS H . 27724 1
129 . 1 . 1 33 33 LYS CA C 13 59.743 0.03 . 1 . . 259 . . 33 LYS CA . 27724 1
130 . 1 . 1 33 33 LYS CB C 13 32.884 0.007 . 1 . . 258 . . 33 LYS CB . 27724 1
131 . 1 . 1 33 33 LYS N N 15 120.284 0.024 . 1 . . 255 . . 33 LYS N . 27724 1
132 . 1 . 1 34 34 LYS H H 1 7.341 0.005 . 1 . . 71 . . 34 LYS H . 27724 1
133 . 1 . 1 34 34 LYS CA C 13 55.535 0.01 . 1 . . 70 . . 34 LYS CA . 27724 1
134 . 1 . 1 34 34 LYS CB C 13 32.206 0.03 . 1 . . 69 . . 34 LYS CB . 27724 1
135 . 1 . 1 34 34 LYS N N 15 117.625 0.017 . 1 . . 67 . . 34 LYS N . 27724 1
136 . 1 . 1 35 35 TRP H H 1 7.946 0.003 . 1 . . 737 . . 35 TRP H . 27724 1
137 . 1 . 1 35 35 TRP HE1 H 1 10.328 0.001 . 1 . . 734 . . 35 TRP HE1 . 27724 1
138 . 1 . 1 35 35 TRP CA C 13 58.114 0.016 . 1 . . 733 . . 35 TRP CA . 27724 1
139 . 1 . 1 35 35 TRP CB C 13 26.575 0.063 . 1 . . 731 . . 35 TRP CB . 27724 1
140 . 1 . 1 35 35 TRP N N 15 119.046 0.046 . 1 . . 724 . . 35 TRP N . 27724 1
141 . 1 . 1 35 35 TRP NE1 N 15 129.053 0.005 . 1 . . 732 . . 35 TRP NE1 . 27724 1
142 . 1 . 1 36 36 GLU H H 1 7.596 0.004 . 1 . . 590 . . 36 GLU H . 27724 1
143 . 1 . 1 36 36 GLU CA C 13 55.041 0.011 . 1 . . 589 . . 36 GLU CA . 27724 1
144 . 1 . 1 36 36 GLU CB C 13 30.988 0.028 . 1 . . 588 . . 36 GLU CB . 27724 1
145 . 1 . 1 36 36 GLU N N 15 121.293 0.017 . 1 . . 586 . . 36 GLU N . 27724 1
146 . 1 . 1 37 37 PHE H H 1 8.159 0.002 . 1 . . 478 . . 37 PHE H . 27724 1
147 . 1 . 1 37 37 PHE CA C 13 54.762 . . 1 . . 481 . . 37 PHE CA . 27724 1
148 . 1 . 1 37 37 PHE CB C 13 40.253 . . 1 . . 482 . . 37 PHE CB . 27724 1
149 . 1 . 1 37 37 PHE N N 15 119.064 0.005 . 1 . . 473 . . 37 PHE N . 27724 1
150 . 1 . 1 38 38 PRO CA C 13 62.399 0.011 . 1 . . 242 . . 38 PRO CA . 27724 1
151 . 1 . 1 38 38 PRO CB C 13 32.274 0.024 . 1 . . 241 . . 38 PRO CB . 27724 1
152 . 1 . 1 39 39 GLU H H 1 8.465 0.002 . 1 . . 138 . . 39 GLU H . 27724 1
153 . 1 . 1 39 39 GLU CA C 13 55.447 0.014 . 1 . . 137 . . 39 GLU CA . 27724 1
154 . 1 . 1 39 39 GLU CB C 13 27.570 0.051 . 1 . . 136 . . 39 GLU CB . 27724 1
155 . 1 . 1 39 39 GLU N N 15 121.796 0.023 . 1 . . 134 . . 39 GLU N . 27724 1
156 . 1 . 1 40 40 ASP H H 1 7.866 0.003 . 1 . . 497 . . 40 ASP H . 27724 1
157 . 1 . 1 40 40 ASP CA C 13 51.621 0.007 . 1 . . 495 . . 40 ASP CA . 27724 1
158 . 1 . 1 40 40 ASP CB C 13 42.542 0.023 . 1 . . 494 . . 40 ASP CB . 27724 1
159 . 1 . 1 40 40 ASP N N 15 122.212 0.017 . 1 . . 492 . . 40 ASP N . 27724 1
160 . 1 . 1 41 41 ASP H H 1 8.788 0.002 . 1 . . 348 . . 41 ASP H . 27724 1
161 . 1 . 1 41 41 ASP CA C 13 58.844 0.01 . 1 . . 349 . . 41 ASP CA . 27724 1
162 . 1 . 1 41 41 ASP CB C 13 40.685 0.032 . 1 . . 350 . . 41 ASP CB . 27724 1
163 . 1 . 1 41 41 ASP N N 15 120.044 0.016 . 1 . . 346 . . 41 ASP N . 27724 1
164 . 1 . 1 42 42 THR H H 1 8.152 0.002 . 1 . . 232 . . 42 THR H . 27724 1
165 . 1 . 1 42 42 THR CA C 13 66.490 0.033 . 1 . . 231 . . 42 THR CA . 27724 1
166 . 1 . 1 42 42 THR CB C 13 68.723 0.076 . 1 . . 230 . . 42 THR CB . 27724 1
167 . 1 . 1 42 42 THR N N 15 118.198 0.017 . 1 . . 228 . . 42 THR N . 27724 1
168 . 1 . 1 43 43 THR H H 1 8.169 0.004 . 1 . . 461 . . 43 THR H . 27724 1
169 . 1 . 1 43 43 THR CA C 13 66.730 0.092 . 1 . . 460 . . 43 THR CA . 27724 1
170 . 1 . 1 43 43 THR CB C 13 68.611 0.052 . 1 . . 459 . . 43 THR CB . 27724 1
171 . 1 . 1 43 43 THR N N 15 119.934 0.015 . 1 . . 456 . . 43 THR N . 27724 1
172 . 1 . 1 44 44 MET H H 1 8.738 0.005 . 1 . . 637 . . 44 MET H . 27724 1
173 . 1 . 1 44 44 MET CA C 13 61.103 0.03 . 1 . . 636 . . 44 MET CA . 27724 1
174 . 1 . 1 44 44 MET CB C 13 32.028 0.053 . 1 . . 635 . . 44 MET CB . 27724 1
175 . 1 . 1 44 44 MET N N 15 119.654 0.012 . 1 . . 631 . . 44 MET N . 27724 1
176 . 1 . 1 45 45 CYS H H 1 8.266 0.004 . 1 . . 859 . . 45 CYS H . 27724 1
177 . 1 . 1 45 45 CYS CA C 13 54.888 0.018 . 1 . . 858 . . 45 CYS CA . 27724 1
178 . 1 . 1 45 45 CYS CB C 13 37.134 0.035 . 1 . . 857 . . 45 CYS CB . 27724 1
179 . 1 . 1 45 45 CYS N N 15 113.985 0.011 . 1 . . 855 . . 45 CYS N . 27724 1
180 . 1 . 1 46 46 TYR H H 1 7.814 0.007 . 1 . . 181 . . 46 TYR H . 27724 1
181 . 1 . 1 46 46 TYR CA C 13 62.287 0.033 . 1 . . 184 . . 46 TYR CA . 27724 1
182 . 1 . 1 46 46 TYR CB C 13 37.203 0.092 . 1 . . 185 . . 46 TYR CB . 27724 1
183 . 1 . 1 46 46 TYR N N 15 125.857 0.021 . 1 . . 177 . . 46 TYR N . 27724 1
184 . 1 . 1 47 47 ILE H H 1 7.987 0.002 . 1 . . 437 . . 47 ILE H . 27724 1
185 . 1 . 1 47 47 ILE CA C 13 60.605 0.005 . 1 . . 436 . . 47 ILE CA . 27724 1
186 . 1 . 1 47 47 ILE CB C 13 34.646 0.037 . 1 . . 435 . . 47 ILE CB . 27724 1
187 . 1 . 1 47 47 ILE N N 15 120.242 0.009 . 1 . . 433 . . 47 ILE N . 27724 1
188 . 1 . 1 48 48 LYS H H 1 7.817 0.002 . 1 . . 155 . . 48 LYS H . 27724 1
189 . 1 . 1 48 48 LYS CA C 13 60.837 0.037 . 1 . . 156 . . 48 LYS CA . 27724 1
190 . 1 . 1 48 48 LYS CB C 13 31.779 0.032 . 1 . . 157 . . 48 LYS CB . 27724 1
191 . 1 . 1 48 48 LYS N N 15 118.632 0.029 . 1 . . 153 . . 48 LYS N . 27724 1
192 . 1 . 1 49 49 CYS H H 1 7.693 0.006 . 1 . . 64 . . 49 CYS H . 27724 1
193 . 1 . 1 49 49 CYS CA C 13 60.411 0.049 . 1 . . 63 . . 49 CYS CA . 27724 1
194 . 1 . 1 49 49 CYS CB C 13 40.759 0.014 . 1 . . 62 . . 49 CYS CB . 27724 1
195 . 1 . 1 49 49 CYS N N 15 117.971 0.005 . 1 . . 60 . . 49 CYS N . 27724 1
196 . 1 . 1 50 50 VAL H H 1 8.045 0.004 . 1 . . 800 . . 50 VAL H . 27724 1
197 . 1 . 1 50 50 VAL CA C 13 67.410 0.015 . 1 . . 801 . . 50 VAL CA . 27724 1
198 . 1 . 1 50 50 VAL CB C 13 31.872 0.076 . 1 . . 802 . . 50 VAL CB . 27724 1
199 . 1 . 1 50 50 VAL N N 15 121.459 0.02 . 1 . . 798 . . 50 VAL N . 27724 1
200 . 1 . 1 51 51 PHE H H 1 8.772 0.002 . 1 . . 699 . . 51 PHE H . 27724 1
201 . 1 . 1 51 51 PHE CA C 13 59.844 0.015 . 1 . . 702 . . 51 PHE CA . 27724 1
202 . 1 . 1 51 51 PHE CB C 13 37.498 0.029 . 1 . . 703 . . 51 PHE CB . 27724 1
203 . 1 . 1 51 51 PHE N N 15 119.179 0.013 . 1 . . 695 . . 51 PHE N . 27724 1
204 . 1 . 1 52 52 ASN H H 1 9.590 0.002 . 1 . . 600 . . 52 ASN H . 27724 1
205 . 1 . 1 52 52 ASN HD21 H 1 7.232 0.005 . 1 . . 601 . . 52 ASN HD21 . 27724 1
206 . 1 . 1 52 52 ASN HD22 H 1 7.908 0.001 . 1 . . 602 . . 52 ASN HD22 . 27724 1
207 . 1 . 1 52 52 ASN CA C 13 56.828 0.007 . 1 . . 603 . . 52 ASN CA . 27724 1
208 . 1 . 1 52 52 ASN CB C 13 39.978 0.058 . 1 . . 604 . . 52 ASN CB . 27724 1
209 . 1 . 1 52 52 ASN N N 15 121.059 0.009 . 1 . . 597 . . 52 ASN N . 27724 1
210 . 1 . 1 52 52 ASN ND2 N 15 107.854 0.005 . 1 . . 598 . . 52 ASN ND2 . 27724 1
211 . 1 . 1 53 53 LYS H H 1 8.118 0.005 . 1 . . 453 . . 53 LYS H . 27724 1
212 . 1 . 1 53 53 LYS CA C 13 59.405 0.009 . 1 . . 451 . . 53 LYS CA . 27724 1
213 . 1 . 1 53 53 LYS CB C 13 31.527 0.034 . 1 . . 449 . . 53 LYS CB . 27724 1
214 . 1 . 1 53 53 LYS N N 15 121.961 0.02 . 1 . . 446 . . 53 LYS N . 27724 1
215 . 1 . 1 54 54 MET H H 1 7.760 0.004 . 1 . . 251 . . 54 MET H . 27724 1
216 . 1 . 1 54 54 MET CA C 13 56.884 0.006 . 1 . . 252 . . 54 MET CA . 27724 1
217 . 1 . 1 54 54 MET CB C 13 36.188 0.031 . 1 . . 253 . . 54 MET CB . 27724 1
218 . 1 . 1 54 54 MET N N 15 114.168 0.011 . 1 . . 249 . . 54 MET N . 27724 1
219 . 1 . 1 55 55 GLN H H 1 7.883 0.004 . 1 . . 388 . . 55 GLN H . 27724 1
220 . 1 . 1 55 55 GLN HE21 H 1 7.533 0.003 . 1 . . 389 . . 55 GLN HE21 . 27724 1
221 . 1 . 1 55 55 GLN HE22 H 1 6.714 0.003 . 1 . . 390 . . 55 GLN HE22 . 27724 1
222 . 1 . 1 55 55 GLN CA C 13 57.138 0.033 . 1 . . 387 . . 55 GLN CA . 27724 1
223 . 1 . 1 55 55 GLN CB C 13 26.362 0.072 . 1 . . 386 . . 55 GLN CB . 27724 1
224 . 1 . 1 55 55 GLN CG C 13 34.556 . . 1 . . 873 . . 55 GLN CG . 27724 1
225 . 1 . 1 55 55 GLN N N 15 112.686 0.007 . 1 . . 383 . . 55 GLN N . 27724 1
226 . 1 . 1 55 55 GLN NE2 N 15 111.669 0.032 . 1 . . 384 . . 55 GLN NE2 . 27724 1
227 . 1 . 1 56 56 LEU H H 1 8.299 0.004 . 1 . . 414 . . 56 LEU H . 27724 1
228 . 1 . 1 56 56 LEU CA C 13 54.322 0.018 . 1 . . 413 . . 56 LEU CA . 27724 1
229 . 1 . 1 56 56 LEU CB C 13 42.552 0.028 . 1 . . 412 . . 56 LEU CB . 27724 1
230 . 1 . 1 56 56 LEU N N 15 111.112 0.009 . 1 . . 410 . . 56 LEU N . 27724 1
231 . 1 . 1 57 57 PHE H H 1 7.082 0.005 . 1 . . 647 . . 57 PHE H . 27724 1
232 . 1 . 1 57 57 PHE CA C 13 57.547 0.011 . 1 . . 646 . . 57 PHE CA . 27724 1
233 . 1 . 1 57 57 PHE CB C 13 45.216 0.011 . 1 . . 645 . . 57 PHE CB . 27724 1
234 . 1 . 1 57 57 PHE N N 15 118.252 0.004 . 1 . . 641 . . 57 PHE N . 27724 1
235 . 1 . 1 58 58 ASP H H 1 7.945 0.004 . 1 . . 853 . . 58 ASP H . 27724 1
236 . 1 . 1 58 58 ASP CA C 13 52.123 0.006 . 1 . . 852 . . 58 ASP CA . 27724 1
237 . 1 . 1 58 58 ASP CB C 13 47.098 0.024 . 1 . . 851 . . 58 ASP CB . 27724 1
238 . 1 . 1 58 58 ASP N N 15 132.906 0.024 . 1 . . 849 . . 58 ASP N . 27724 1
239 . 1 . 1 59 59 ASP H H 1 8.667 0.002 . 1 . . 759 . . 59 ASP H . 27724 1
240 . 1 . 1 59 59 ASP CA C 13 57.508 0.002 . 1 . . 758 . . 59 ASP CA . 27724 1
241 . 1 . 1 59 59 ASP CB C 13 39.634 0.012 . 1 . . 757 . . 59 ASP CB . 27724 1
242 . 1 . 1 59 59 ASP N N 15 124.970 0.013 . 1 . . 755 . . 59 ASP N . 27724 1
243 . 1 . 1 60 60 THR H H 1 8.127 0.005 . 1 . . 689 . . 60 THR H . 27724 1
244 . 1 . 1 60 60 THR CA C 13 64.659 0.02 . 1 . . 688 . . 60 THR CA . 27724 1
245 . 1 . 1 60 60 THR CB C 13 69.195 0.081 . 1 . . 687 . . 60 THR CB . 27724 1
246 . 1 . 1 60 60 THR N N 15 112.193 0.006 . 1 . . 685 . . 60 THR N . 27724 1
247 . 1 . 1 61 61 GLU H H 1 9.131 0.002 . 1 . . 664 . . 61 GLU H . 27724 1
248 . 1 . 1 61 61 GLU CA C 13 57.083 0.011 . 1 . . 663 . . 61 GLU CA . 27724 1
249 . 1 . 1 61 61 GLU CB C 13 30.666 0.027 . 1 . . 662 . . 61 GLU CB . 27724 1
250 . 1 . 1 61 61 GLU N N 15 120.834 0.014 . 1 . . 660 . . 61 GLU N . 27724 1
251 . 1 . 1 62 62 GLY H H 1 8.273 0.003 . 1 . . 762 . . 62 GLY H . 27724 1
252 . 1 . 1 62 62 GLY CA C 13 43.189 . . 1 . . 996 . . 62 GLY CA . 27724 1
253 . 1 . 1 62 62 GLY N N 15 111.948 0.025 . 1 . . 760 . . 62 GLY N . 27724 1
254 . 1 . 1 63 63 PRO CA C 13 62.856 0.004 . 1 . . 847 . . 63 PRO CA . 27724 1
255 . 1 . 1 63 63 PRO CB C 13 32.131 0.013 . 1 . . 846 . . 63 PRO CB . 27724 1
256 . 1 . 1 64 64 LEU H H 1 7.873 0.005 . 1 . . 595 . . 64 LEU H . 27724 1
257 . 1 . 1 64 64 LEU CA C 13 53.087 0.006 . 1 . . 594 . . 64 LEU CA . 27724 1
258 . 1 . 1 64 64 LEU CB C 13 38.807 0.018 . 1 . . 593 . . 64 LEU CB . 27724 1
259 . 1 . 1 64 64 LEU N N 15 126.446 0.016 . 1 . . 591 . . 64 LEU N . 27724 1
260 . 1 . 1 65 65 VAL H H 1 7.766 0.003 . 1 . . 773 . . 65 VAL H . 27724 1
261 . 1 . 1 65 65 VAL CA C 13 68.171 0.007 . 1 . . 772 . . 65 VAL CA . 27724 1
262 . 1 . 1 65 65 VAL CB C 13 31.976 0.026 . 1 . . 771 . . 65 VAL CB . 27724 1
263 . 1 . 1 65 65 VAL N N 15 123.319 0.009 . 1 . . 769 . . 65 VAL N . 27724 1
264 . 1 . 1 66 66 ASP H H 1 8.429 0.003 . 1 . . 54 . . 66 ASP H . 27724 1
265 . 1 . 1 66 66 ASP CA C 13 57.997 0.013 . 1 . . 683 . . 66 ASP CA . 27724 1
266 . 1 . 1 66 66 ASP CB C 13 39.785 0.027 . 1 . . 684 . . 66 ASP CB . 27724 1
267 . 1 . 1 66 66 ASP N N 15 117.698 0.014 . 1 . . 681 . . 66 ASP N . 27724 1
268 . 1 . 1 67 67 ASN H H 1 7.258 0.003 . 1 . . 615 . . 67 ASN H . 27724 1
269 . 1 . 1 67 67 ASN HD21 H 1 8.210 0.01 . 1 . . 616 . . 67 ASN HD21 . 27724 1
270 . 1 . 1 67 67 ASN HD22 H 1 7.015 0.001 . 1 . . 617 . . 67 ASN HD22 . 27724 1
271 . 1 . 1 67 67 ASN CA C 13 55.064 0.007 . 1 . . 618 . . 67 ASN CA . 27724 1
272 . 1 . 1 67 67 ASN CB C 13 36.527 0.051 . 1 . . 619 . . 67 ASN CB . 27724 1
273 . 1 . 1 67 67 ASN N N 15 120.342 0.031 . 1 . . 612 . . 67 ASN N . 27724 1
274 . 1 . 1 67 67 ASN ND2 N 15 110.064 0.014 . 1 . . 613 . . 67 ASN ND2 . 27724 1
275 . 1 . 1 68 68 LEU H H 1 8.282 0.002 . 1 . . 865 . . 68 LEU H . 27724 1
276 . 1 . 1 68 68 LEU CA C 13 58.617 0.002 . 1 . . 864 . . 68 LEU CA . 27724 1
277 . 1 . 1 68 68 LEU CB C 13 42.740 0.058 . 1 . . 863 . . 68 LEU CB . 27724 1
278 . 1 . 1 68 68 LEU N N 15 121.103 0.014 . 1 . . 861 . . 68 LEU N . 27724 1
279 . 1 . 1 69 69 VAL H H 1 8.273 0.002 . 1 . . 610 . . 69 VAL H . 27724 1
280 . 1 . 1 69 69 VAL CA C 13 66.831 0.011 . 1 . . 609 . . 69 VAL CA . 27724 1
281 . 1 . 1 69 69 VAL CB C 13 31.136 0.027 . 1 . . 608 . . 69 VAL CB . 27724 1
282 . 1 . 1 69 69 VAL N N 15 117.809 0.018 . 1 . . 606 . . 69 VAL N . 27724 1
283 . 1 . 1 70 70 HIS H H 1 7.315 0.004 . 1 . . 116 . . 70 HIS H . 27724 1
284 . 1 . 1 70 70 HIS CA C 13 59.033 0.003 . 1 . . 114 . . 70 HIS CA . 27724 1
285 . 1 . 1 70 70 HIS CB C 13 30.176 0.066 . 1 . . 113 . . 70 HIS CB . 27724 1
286 . 1 . 1 70 70 HIS N N 15 114.936 0.014 . 1 . . 109 . . 70 HIS N . 27724 1
287 . 1 . 1 71 71 GLN H H 1 8.512 0.004 . 1 . . 396 . . 71 GLN H . 27724 1
288 . 1 . 1 71 71 GLN CA C 13 58.446 0.027 . 1 . . 395 . . 71 GLN CA . 27724 1
289 . 1 . 1 71 71 GLN CB C 13 29.329 0.052 . 1 . . 394 . . 71 GLN CB . 27724 1
290 . 1 . 1 71 71 GLN N N 15 118.880 0.019 . 1 . . 391 . . 71 GLN N . 27724 1
291 . 1 . 1 72 72 LEU H H 1 8.251 0.003 . 1 . . 171 . . 72 LEU H . 27724 1
292 . 1 . 1 72 72 LEU CA C 13 55.116 0.025 . 1 . . 170 . . 72 LEU CA . 27724 1
293 . 1 . 1 72 72 LEU CB C 13 42.482 0.041 . 1 . . 169 . . 72 LEU CB . 27724 1
294 . 1 . 1 72 72 LEU N N 15 113.476 0.028 . 1 . . 167 . . 72 LEU N . 27724 1
295 . 1 . 1 73 73 ALA H H 1 7.593 0.009 . 1 . . 101 . . 73 ALA H . 27724 1
296 . 1 . 1 73 73 ALA CA C 13 55.680 0.02 . 1 . . 102 . . 73 ALA CA . 27724 1
297 . 1 . 1 73 73 ALA CB C 13 18.157 0.048 . 1 . . 103 . . 73 ALA CB . 27724 1
298 . 1 . 1 73 73 ALA N N 15 119.529 0.013 . 1 . . 99 . . 73 ALA N . 27724 1
299 . 1 . 1 74 74 HIS H H 1 8.417 0.003 . 1 . . 488 . . 74 HIS H . 27724 1
300 . 1 . 1 74 74 HIS CA C 13 56.205 0.054 . 1 . . 489 . . 74 HIS CA . 27724 1
301 . 1 . 1 74 74 HIS CB C 13 28.790 0.025 . 1 . . 491 . . 74 HIS CB . 27724 1
302 . 1 . 1 74 74 HIS N N 15 114.440 0.034 . 1 . . 485 . . 74 HIS N . 27724 1
303 . 1 . 1 75 75 GLY H H 1 8.598 0.003 . 1 . . 629 . . 75 GLY H . 27724 1
304 . 1 . 1 75 75 GLY CA C 13 45.284 0.046 . 1 . . 628 . . 75 GLY CA . 27724 1
305 . 1 . 1 75 75 GLY N N 15 106.981 0.028 . 1 . . 627 . . 75 GLY N . 27724 1
306 . 1 . 1 76 76 ARG H H 1 7.708 0.004 . 1 . . 238 . . 76 ARG H . 27724 1
307 . 1 . 1 76 76 ARG CA C 13 55.972 0.014 . 1 . . 237 . . 76 ARG CA . 27724 1
308 . 1 . 1 76 76 ARG CB C 13 32.279 0.031 . 1 . . 236 . . 76 ARG CB . 27724 1
309 . 1 . 1 76 76 ARG N N 15 121.202 0.033 . 1 . . 234 . . 76 ARG N . 27724 1
310 . 1 . 1 77 77 ASP H H 1 8.375 0.002 . 1 . . 127 . . 77 ASP H . 27724 1
311 . 1 . 1 77 77 ASP CA C 13 55.239 0.091 . 1 . . 126 . . 77 ASP CA . 27724 1
312 . 1 . 1 77 77 ASP CB C 13 42.614 0.018 . 1 . . 125 . . 77 ASP CB . 27724 1
313 . 1 . 1 77 77 ASP N N 15 120.991 0.022 . 1 . . 123 . . 77 ASP N . 27724 1
314 . 1 . 1 78 78 ALA H H 1 8.549 0.002 . 1 . . 343 . . 78 ALA H . 27724 1
315 . 1 . 1 78 78 ALA CA C 13 55.523 0.071 . 1 . . 344 . . 78 ALA CA . 27724 1
316 . 1 . 1 78 78 ALA CB C 13 18.776 0.049 . 1 . . 345 . . 78 ALA CB . 27724 1
317 . 1 . 1 78 78 ALA N N 15 128.079 0.016 . 1 . . 341 . . 78 ALA N . 27724 1
318 . 1 . 1 79 79 GLU H H 1 8.292 0.007 . 1 . . 468 . . 79 GLU H . 27724 1
319 . 1 . 1 79 79 GLU CA C 13 59.008 0.005 . 1 . . 470 . . 79 GLU CA . 27724 1
320 . 1 . 1 79 79 GLU CB C 13 28.767 0.044 . 1 . . 471 . . 79 GLU CB . 27724 1
321 . 1 . 1 79 79 GLU N N 15 117.318 0.01 . 1 . . 463 . . 79 GLU N . 27724 1
322 . 1 . 1 80 80 GLU H H 1 7.861 0.002 . 1 . . 871 . . 80 GLU H . 27724 1
323 . 1 . 1 80 80 GLU CA C 13 59.190 0.034 . 1 . . 870 . . 80 GLU CA . 27724 1
324 . 1 . 1 80 80 GLU CB C 13 29.888 0.029 . 1 . . 869 . . 80 GLU CB . 27724 1
325 . 1 . 1 80 80 GLU N N 15 121.057 0.028 . 1 . . 867 . . 80 GLU N . 27724 1
326 . 1 . 1 81 81 VAL H H 1 7.856 0.002 . 1 . . 712 . . 81 VAL H . 27724 1
327 . 1 . 1 81 81 VAL CA C 13 66.251 0.001 . 1 . . 713 . . 81 VAL CA . 27724 1
328 . 1 . 1 81 81 VAL CB C 13 31.520 0.027 . 1 . . 714 . . 81 VAL CB . 27724 1
329 . 1 . 1 81 81 VAL N N 15 118.873 0.014 . 1 . . 710 . . 81 VAL N . 27724 1
330 . 1 . 1 82 82 ARG H H 1 8.610 0.003 . 1 . . 672 . . 82 ARG H . 27724 1
331 . 1 . 1 82 82 ARG CA C 13 60.747 0.009 . 1 . . 674 . . 82 ARG CA . 27724 1
332 . 1 . 1 82 82 ARG CB C 13 29.839 0.038 . 1 . . 675 . . 82 ARG CB . 27724 1
333 . 1 . 1 82 82 ARG N N 15 121.197 0.017 . 1 . . 670 . . 82 ARG N . 27724 1
334 . 1 . 1 83 83 THR H H 1 7.723 0.003 . 1 . . 508 . . 83 THR H . 27724 1
335 . 1 . 1 83 83 THR CA C 13 66.793 0.048 . 1 . . 507 . . 83 THR CA . 27724 1
336 . 1 . 1 83 83 THR CB C 13 68.817 0.046 . 1 . . 506 . . 83 THR CB . 27724 1
337 . 1 . 1 83 83 THR N N 15 113.297 0.024 . 1 . . 504 . . 83 THR N . 27724 1
338 . 1 . 1 84 84 GLU H H 1 7.378 0.004 . 1 . . 360 . . 84 GLU H . 27724 1
339 . 1 . 1 84 84 GLU CA C 13 58.868 0.017 . 1 . . 359 . . 84 GLU CA . 27724 1
340 . 1 . 1 84 84 GLU CB C 13 29.962 0.05 . 1 . . 358 . . 84 GLU CB . 27724 1
341 . 1 . 1 84 84 GLU N N 15 119.792 0.009 . 1 . . 356 . . 84 GLU N . 27724 1
342 . 1 . 1 85 85 VAL H H 1 8.711 0.003 . 1 . . 165 . . 85 VAL H . 27724 1
343 . 1 . 1 85 85 VAL CA C 13 66.783 0.011 . 1 . . 164 . . 85 VAL CA . 27724 1
344 . 1 . 1 85 85 VAL CB C 13 31.912 0.003 . 1 . . 163 . . 85 VAL CB . 27724 1
345 . 1 . 1 85 85 VAL N N 15 119.715 0.016 . 1 . . 161 . . 85 VAL N . 27724 1
346 . 1 . 1 86 86 LEU H H 1 8.466 0.003 . 1 . . 122 . . 86 LEU H . 27724 1
347 . 1 . 1 86 86 LEU CA C 13 57.949 0.006 . 1 . . 121 . . 86 LEU CA . 27724 1
348 . 1 . 1 86 86 LEU CB C 13 41.743 0.05 . 1 . . 120 . . 86 LEU CB . 27724 1
349 . 1 . 1 86 86 LEU N N 15 117.706 0.003 . 1 . . 118 . . 86 LEU N . 27724 1
350 . 1 . 1 87 87 LYS H H 1 7.325 0.004 . 1 . . 403 . . 87 LYS H . 27724 1
351 . 1 . 1 87 87 LYS CA C 13 59.061 0.017 . 1 . . 402 . . 87 LYS CA . 27724 1
352 . 1 . 1 87 87 LYS CB C 13 32.711 0.051 . 1 . . 401 . . 87 LYS CB . 27724 1
353 . 1 . 1 87 87 LYS N N 15 117.603 0.011 . 1 . . 399 . . 87 LYS N . 27724 1
354 . 1 . 1 88 88 CYS H H 1 7.918 0.004 . 1 . . 214 . . 88 CYS H . 27724 1
355 . 1 . 1 88 88 CYS CA C 13 52.343 0.005 . 1 . . 213 . . 88 CYS CA . 27724 1
356 . 1 . 1 88 88 CYS CB C 13 39.911 0.027 . 1 . . 212 . . 88 CYS CB . 27724 1
357 . 1 . 1 88 88 CYS N N 15 114.862 0.009 . 1 . . 210 . . 88 CYS N . 27724 1
358 . 1 . 1 89 89 VAL H H 1 7.465 0.004 . 1 . . 511 . . 89 VAL H . 27724 1
359 . 1 . 1 89 89 VAL CA C 13 64.138 0.009 . 1 . . 512 . . 89 VAL CA . 27724 1
360 . 1 . 1 89 89 VAL CB C 13 32.163 0.011 . 1 . . 513 . . 89 VAL CB . 27724 1
361 . 1 . 1 89 89 VAL N N 15 123.148 0.048 . 1 . . 509 . . 89 VAL N . 27724 1
362 . 1 . 1 90 90 ASP H H 1 8.300 0.004 . 1 . . 441 . . 90 ASP H . 27724 1
363 . 1 . 1 90 90 ASP CA C 13 51.891 0.014 . 1 . . 442 . . 90 ASP CA . 27724 1
364 . 1 . 1 90 90 ASP CB C 13 42.766 0.035 . 1 . . 443 . . 90 ASP CB . 27724 1
365 . 1 . 1 90 90 ASP N N 15 128.553 0.032 . 1 . . 439 . . 90 ASP N . 27724 1
366 . 1 . 1 91 91 LYS H H 1 8.259 0.003 . 1 . . 749 . . 91 LYS H . 27724 1
367 . 1 . 1 91 91 LYS CA C 13 55.225 0.016 . 1 . . 751 . . 91 LYS CA . 27724 1
368 . 1 . 1 91 91 LYS CB C 13 33.515 0.035 . 1 . . 750 . . 91 LYS CB . 27724 1
369 . 1 . 1 91 91 LYS N N 15 119.253 0.016 . 1 . . 746 . . 91 LYS N . 27724 1
370 . 1 . 1 92 92 ASN H H 1 7.797 0.003 . 1 . . 535 . . 92 ASN H . 27724 1
371 . 1 . 1 92 92 ASN HD21 H 1 6.305 0.001 . 1 . . 536 . . 92 ASN HD21 . 27724 1
372 . 1 . 1 92 92 ASN HD22 H 1 7.323 0.002 . 1 . . 537 . . 92 ASN HD22 . 27724 1
373 . 1 . 1 92 92 ASN CA C 13 50.842 0.018 . 1 . . 538 . . 92 ASN CA . 27724 1
374 . 1 . 1 92 92 ASN CB C 13 34.862 0.057 . 1 . . 539 . . 92 ASN CB . 27724 1
375 . 1 . 1 92 92 ASN N N 15 117.565 0.007 . 1 . . 532 . . 92 ASN N . 27724 1
376 . 1 . 1 92 92 ASN ND2 N 15 107.888 0.002 . 1 . . 533 . . 92 ASN ND2 . 27724 1
377 . 1 . 1 93 93 THR H H 1 7.878 0.004 . 1 . . 839 . . 93 THR H . 27724 1
378 . 1 . 1 93 93 THR CA C 13 64.795 0.033 . 1 . . 840 . . 93 THR CA . 27724 1
379 . 1 . 1 93 93 THR CB C 13 68.777 0.077 . 1 . . 841 . . 93 THR CB . 27724 1
380 . 1 . 1 93 93 THR N N 15 115.930 0.008 . 1 . . 837 . . 93 THR N . 27724 1
381 . 1 . 1 94 94 ASP H H 1 8.075 0.002 . 1 . . 680 . . 94 ASP H . 27724 1
382 . 1 . 1 94 94 ASP CA C 13 51.850 0.007 . 1 . . 679 . . 94 ASP CA . 27724 1
383 . 1 . 1 94 94 ASP CB C 13 40.431 0.014 . 1 . . 678 . . 94 ASP CB . 27724 1
384 . 1 . 1 94 94 ASP N N 15 118.463 0.013 . 1 . . 676 . . 94 ASP N . 27724 1
385 . 1 . 1 95 95 ASN H H 1 7.445 0.006 . 1 . . 722 . . 95 ASN H . 27724 1
386 . 1 . 1 95 95 ASN HD21 H 1 6.762 0.0 . 1 . . 719 . . 95 ASN HD21 . 27724 1
387 . 1 . 1 95 95 ASN HD22 H 1 7.523 0.002 . 1 . . 720 . . 95 ASN HD22 . 27724 1
388 . 1 . 1 95 95 ASN CA C 13 54.480 0.027 . 1 . . 721 . . 95 ASN CA . 27724 1
389 . 1 . 1 95 95 ASN CB C 13 37.314 0.032 . 1 . . 718 . . 95 ASN CB . 27724 1
390 . 1 . 1 95 95 ASN N N 15 114.826 0.01 . 1 . . 716 . . 95 ASN N . 27724 1
391 . 1 . 1 95 95 ASN ND2 N 15 112.619 0.035 . 1 . . 723 . . 95 ASN ND2 . 27724 1
392 . 1 . 1 96 96 ASN H H 1 7.744 0.006 . 1 . . 320 . . 96 ASN H . 27724 1
393 . 1 . 1 96 96 ASN HD21 H 1 7.466 0.001 . 1 . . 321 . . 96 ASN HD21 . 27724 1
394 . 1 . 1 96 96 ASN HD22 H 1 6.935 0.006 . 1 . . 322 . . 96 ASN HD22 . 27724 1
395 . 1 . 1 96 96 ASN CA C 13 53.069 0.062 . 1 . . 323 . . 96 ASN CA . 27724 1
396 . 1 . 1 96 96 ASN CB C 13 38.891 0.036 . 1 . . 324 . . 96 ASN CB . 27724 1
397 . 1 . 1 96 96 ASN N N 15 116.238 0.007 . 1 . . 317 . . 96 ASN N . 27724 1
398 . 1 . 1 96 96 ASN ND2 N 15 114.505 0.02 . 1 . . 318 . . 96 ASN ND2 . 27724 1
399 . 1 . 1 97 97 ALA H H 1 9.253 0.003 . 1 . . 528 . . 97 ALA H . 27724 1
400 . 1 . 1 97 97 ALA CA C 13 55.633 0.015 . 1 . . 529 . . 97 ALA CA . 27724 1
401 . 1 . 1 97 97 ALA CB C 13 18.735 0.087 . 1 . . 530 . . 97 ALA CB . 27724 1
402 . 1 . 1 97 97 ALA N N 15 128.572 0.03 . 1 . . 526 . . 97 ALA N . 27724 1
403 . 1 . 1 98 98 CYS H H 1 8.212 0.004 . 1 . . 92 . . 98 CYS H . 27724 1
404 . 1 . 1 98 98 CYS CA C 13 60.177 0.022 . 1 . . 91 . . 98 CYS CA . 27724 1
405 . 1 . 1 98 98 CYS CB C 13 41.370 0.016 . 1 . . 90 . . 98 CYS CB . 27724 1
406 . 1 . 1 98 98 CYS N N 15 113.798 0.013 . 1 . . 88 . . 98 CYS N . 27724 1
407 . 1 . 1 99 99 HIS H H 1 7.918 0.004 . 1 . . 796 . . 99 HIS H . 27724 1
408 . 1 . 1 99 99 HIS CA C 13 56.843 0.012 . 1 . . 794 . . 99 HIS CA . 27724 1
409 . 1 . 1 99 99 HIS CB C 13 28.583 0.05 . 1 . . 793 . . 99 HIS CB . 27724 1
410 . 1 . 1 99 99 HIS N N 15 118.840 0.013 . 1 . . 790 . . 99 HIS N . 27724 1
411 . 1 . 1 100 100 TRP H H 1 8.681 0.002 . 1 . . 828 . . 100 TRP H . 27724 1
412 . 1 . 1 100 100 TRP HE1 H 1 9.729 0.007 . 1 . . 831 . . 100 TRP HE1 . 27724 1
413 . 1 . 1 100 100 TRP CA C 13 57.716 0.025 . 1 . . 830 . . 100 TRP CA . 27724 1
414 . 1 . 1 100 100 TRP CB C 13 31.516 0.029 . 1 . . 827 . . 100 TRP CB . 27724 1
415 . 1 . 1 100 100 TRP N N 15 121.006 0.012 . 1 . . 820 . . 100 TRP N . 27724 1
416 . 1 . 1 100 100 TRP NE1 N 15 128.916 0.011 . 1 . . 829 . . 100 TRP NE1 . 27724 1
417 . 1 . 1 101 101 ALA H H 1 7.940 0.002 . 1 . . 562 . . 101 ALA H . 27724 1
418 . 1 . 1 101 101 ALA CA C 13 54.834 0.013 . 1 . . 561 . . 101 ALA CA . 27724 1
419 . 1 . 1 101 101 ALA CB C 13 16.033 0.075 . 1 . . 560 . . 101 ALA CB . 27724 1
420 . 1 . 1 101 101 ALA N N 15 120.497 0.025 . 1 . . 558 . . 101 ALA N . 27724 1
421 . 1 . 1 102 102 PHE H H 1 7.928 0.005 . 1 . . 657 . . 102 PHE H . 27724 1
422 . 1 . 1 102 102 PHE CA C 13 61.815 0.003 . 1 . . 656 . . 102 PHE CA . 27724 1
423 . 1 . 1 102 102 PHE CB C 13 39.984 0.032 . 1 . . 654 . . 102 PHE CB . 27724 1
424 . 1 . 1 102 102 PHE N N 15 117.145 0.009 . 1 . . 648 . . 102 PHE N . 27724 1
425 . 1 . 1 103 103 ARG H H 1 8.520 0.003 . 1 . . 281 . . 103 ARG H . 27724 1
426 . 1 . 1 103 103 ARG CA C 13 60.822 0.018 . 1 . . 282 . . 103 ARG CA . 27724 1
427 . 1 . 1 103 103 ARG CB C 13 30.469 0.05 . 1 . . 283 . . 103 ARG CB . 27724 1
428 . 1 . 1 103 103 ARG N N 15 118.886 0.037 . 1 . . 284 . . 103 ARG N . 27724 1
429 . 1 . 1 104 104 GLY H H 1 7.333 0.007 . 1 . . 246 . . 104 GLY H . 27724 1
430 . 1 . 1 104 104 GLY CA C 13 47.342 0.026 . 1 . . 247 . . 104 GLY CA . 27724 1
431 . 1 . 1 104 104 GLY N N 15 106.394 0.009 . 1 . . 244 . . 104 GLY N . 27724 1
432 . 1 . 1 105 105 PHE H H 1 7.587 0.007 . 1 . . 148 . . 105 PHE H . 27724 1
433 . 1 . 1 105 105 PHE CA C 13 61.179 0.003 . 1 . . 150 . . 105 PHE CA . 27724 1
434 . 1 . 1 105 105 PHE CB C 13 39.100 0.034 . 1 . . 151 . . 105 PHE CB . 27724 1
435 . 1 . 1 105 105 PHE N N 15 120.285 0.011 . 1 . . 144 . . 105 PHE N . 27724 1
436 . 1 . 1 106 106 LYS H H 1 8.353 0.005 . 1 . . 334 . . 106 LYS H . 27724 1
437 . 1 . 1 106 106 LYS CA C 13 58.631 0.015 . 1 . . 336 . . 106 LYS CA . 27724 1
438 . 1 . 1 106 106 LYS CB C 13 31.500 0.031 . 1 . . 338 . . 106 LYS CB . 27724 1
439 . 1 . 1 106 106 LYS N N 15 117.699 0.002 . 1 . . 332 . . 106 LYS N . 27724 1
440 . 1 . 1 107 107 CYS H H 1 7.407 0.006 . 1 . . 366 . . 107 CYS H . 27724 1
441 . 1 . 1 107 107 CYS CA C 13 59.795 0.011 . 1 . . 365 . . 107 CYS CA . 27724 1
442 . 1 . 1 107 107 CYS CB C 13 35.726 0.026 . 1 . . 363 . . 107 CYS CB . 27724 1
443 . 1 . 1 107 107 CYS N N 15 120.734 0.019 . 1 . . 361 . . 107 CYS N . 27724 1
444 . 1 . 1 108 108 PHE H H 1 8.910 0.003 . 1 . . 572 . . 108 PHE H . 27724 1
445 . 1 . 1 108 108 PHE CA C 13 59.446 0.032 . 1 . . 571 . . 108 PHE CA . 27724 1
446 . 1 . 1 108 108 PHE CB C 13 36.747 0.02 . 1 . . 569 . . 108 PHE CB . 27724 1
447 . 1 . 1 108 108 PHE N N 15 122.390 0.03 . 1 . . 564 . . 108 PHE N . 27724 1
448 . 1 . 1 109 109 GLN H H 1 8.008 0.005 . 1 . . 520 . . 109 GLN H . 27724 1
449 . 1 . 1 109 109 GLN CA C 13 59.060 0.047 . 1 . . 519 . . 109 GLN CA . 27724 1
450 . 1 . 1 109 109 GLN CB C 13 29.404 0.025 . 1 . . 518 . . 109 GLN CB . 27724 1
451 . 1 . 1 109 109 GLN N N 15 116.750 0.004 . 1 . . 516 . . 109 GLN N . 27724 1
452 . 1 . 1 110 110 LYS H H 1 8.041 0.003 . 1 . . 79 . . 110 LYS H . 27724 1
453 . 1 . 1 110 110 LYS CA C 13 58.626 0.039 . 1 . . 78 . . 110 LYS CA . 27724 1
454 . 1 . 1 110 110 LYS CB C 13 32.274 0.034 . 1 . . 77 . . 110 LYS CB . 27724 1
455 . 1 . 1 110 110 LYS N N 15 121.124 0.031 . 1 . . 75 . . 110 LYS N . 27724 1
456 . 1 . 1 111 111 ASN H H 1 7.605 0.005 . 1 . . 87 . . 111 ASN H . 27724 1
457 . 1 . 1 111 111 ASN HD21 H 1 7.171 0.004 . 1 . . 84 . . 111 ASN HD21 . 27724 1
458 . 1 . 1 111 111 ASN HD22 H 1 7.584 0.0 . 1 . . 85 . . 111 ASN HD22 . 27724 1
459 . 1 . 1 111 111 ASN CA C 13 53.517 0.005 . 1 . . 86 . . 111 ASN CA . 27724 1
460 . 1 . 1 111 111 ASN CB C 13 39.064 0.035 . 1 . . 83 . . 111 ASN CB . 27724 1
461 . 1 . 1 111 111 ASN N N 15 115.904 0.006 . 1 . . 80 . . 111 ASN N . 27724 1
462 . 1 . 1 111 111 ASN ND2 N 15 116.185 0.045 . 1 . . 81 . . 111 ASN ND2 . 27724 1
463 . 1 . 1 112 112 ASN H H 1 7.899 0.005 . 1 . . 294 . . 112 ASN H . 27724 1
464 . 1 . 1 112 112 ASN HD21 H 1 7.647 0.003 . 1 . . 295 . . 112 ASN HD21 . 27724 1
465 . 1 . 1 112 112 ASN HD22 H 1 6.852 0.004 . 1 . . 296 . . 112 ASN HD22 . 27724 1
466 . 1 . 1 112 112 ASN CA C 13 54.746 0.084 . 1 . . 297 . . 112 ASN CA . 27724 1
467 . 1 . 1 112 112 ASN CB C 13 37.070 0.067 . 1 . . 298 . . 112 ASN CB . 27724 1
468 . 1 . 1 112 112 ASN N N 15 113.164 0.019 . 1 . . 292 . . 112 ASN N . 27724 1
469 . 1 . 1 112 112 ASN ND2 N 15 113.361 0.038 . 1 . . 299 . . 112 ASN ND2 . 27724 1
470 . 1 . 1 113 113 LEU H H 1 8.212 0.003 . 1 . . 768 . . 113 LEU H . 27724 1
471 . 1 . 1 113 113 LEU CA C 13 53.556 0.005 . 1 . . 767 . . 113 LEU CA . 27724 1
472 . 1 . 1 113 113 LEU CB C 13 41.993 0.024 . 1 . . 766 . . 113 LEU CB . 27724 1
473 . 1 . 1 113 113 LEU N N 15 120.372 0.014 . 1 . . 764 . . 113 LEU N . 27724 1
474 . 1 . 1 114 114 SER H H 1 8.459 0.005 . 1 . . 273 . . 114 SER H . 27724 1
475 . 1 . 1 114 114 SER CA C 13 57.351 . . 1 . . 274 . . 114 SER CA . 27724 1
476 . 1 . 1 114 114 SER CB C 13 64.328 . . 1 . . 275 . . 114 SER CB . 27724 1
477 . 1 . 1 114 114 SER N N 15 117.119 0.029 . 1 . . 271 . . 114 SER N . 27724 1
478 . 1 . 1 116 116 ILE CA C 13 58.333 . . 1 . . 131 . . 116 ILE CA . 27724 1
479 . 1 . 1 116 116 ILE CB C 13 40.282 . . 1 . . 130 . . 116 ILE CB . 27724 1
480 . 1 . 1 117 117 LYS H H 1 8.065 0.003 . 1 . . 787 . . 117 LYS H . 27724 1
481 . 1 . 1 117 117 LYS CA C 13 56.201 0.009 . 1 . . 788 . . 117 LYS CA . 27724 1
482 . 1 . 1 117 117 LYS CB C 13 33.229 0.063 . 1 . . 789 . . 117 LYS CB . 27724 1
483 . 1 . 1 117 117 LYS N N 15 124.953 0.035 . 1 . . 785 . . 117 LYS N . 27724 1
484 . 1 . 1 118 118 ALA H H 1 8.271 0.004 . 1 . . 667 . . 118 ALA H . 27724 1
485 . 1 . 1 118 118 ALA CA C 13 52.386 0.025 . 1 . . 668 . . 118 ALA CA . 27724 1
486 . 1 . 1 118 118 ALA CB C 13 19.509 0.113 . 1 . . 669 . . 118 ALA CB . 27724 1
487 . 1 . 1 118 118 ALA N N 15 127.184 0.045 . 1 . . 665 . . 118 ALA N . 27724 1
488 . 1 . 1 119 119 SER H H 1 8.271 0.004 . 1 . . 584 . . 119 SER H . 27724 1
489 . 1 . 1 119 119 SER CA C 13 58.020 0.057 . 1 . . 583 . . 119 SER CA . 27724 1
490 . 1 . 1 119 119 SER CB C 13 63.858 0.031 . 1 . . 582 . . 119 SER CB . 27724 1
491 . 1 . 1 119 119 SER N N 15 115.866 0.034 . 1 . . 579 . . 119 SER N . 27724 1
492 . 1 . 1 120 120 ILE H H 1 8.141 0.004 . 1 . . 809 . . 120 ILE H . 27724 1
493 . 1 . 1 120 120 ILE CA C 13 60.988 0.01 . 1 . . 808 . . 120 ILE CA . 27724 1
494 . 1 . 1 120 120 ILE CB C 13 38.956 0.024 . 1 . . 807 . . 120 ILE CB . 27724 1
495 . 1 . 1 120 120 ILE N N 15 122.656 0.029 . 1 . . 804 . . 120 ILE N . 27724 1
496 . 1 . 1 121 121 LYS H H 1 8.355 0.003 . 1 . . 555 . . 121 LYS H . 27724 1
497 . 1 . 1 121 121 LYS CA C 13 56.240 0.013 . 1 . . 554 . . 121 LYS CA . 27724 1
498 . 1 . 1 121 121 LYS CB C 13 33.322 0.038 . 1 . . 552 . . 121 LYS CB . 27724 1
499 . 1 . 1 121 121 LYS N N 15 126.379 0.031 . 1 . . 548 . . 121 LYS N . 27724 1
500 . 1 . 1 122 122 LYS H H 1 8.503 0.003 . 1 . . 314 . . 122 LYS H . 27724 1
501 . 1 . 1 122 122 LYS CA C 13 56.155 0.032 . 1 . . 313 . . 122 LYS CA . 27724 1
502 . 1 . 1 122 122 LYS CB C 13 33.378 0.035 . 1 . . 312 . . 122 LYS CB . 27724 1
503 . 1 . 1 122 122 LYS N N 15 125.108 0.026 . 1 . . 309 . . 122 LYS N . 27724 1
504 . 1 . 1 123 123 ASP H H 1 7.996 0.002 . 1 . . 308 . . 123 ASP H . 27724 1
505 . 1 . 1 123 123 ASP CA C 13 55.822 . . 1 . . 307 . . 123 ASP CA . 27724 1
506 . 1 . 1 123 123 ASP CB C 13 42.281 . . 1 . . 306 . . 123 ASP CB . 27724 1
507 . 1 . 1 123 123 ASP N N 15 127.485 0.014 . 1 . . 305 . . 123 ASP N . 27724 1
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