Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34719
_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 $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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' . . . 34719 1
2 '2D 1H-13C HMQC' . . . 34719 1
3 '3D CBCA(CO)NH' . . . 34719 1
4 '3D C(CO)NH' . . . 34719 1
5 '3D H(CCO)NH' . . . 34719 1
6 '3D HNCO' . . . 34719 1
7 '3D 1H-13C NOESY' . . . 34719 1
8 '3D 1H-15N NOESY' . . . 34719 1
9 '3D 13C/15N-filtered NOESY' . . . 34719 1
10 '2D HBCBCGCDHD' . . . 34719 1
11 '3D HNCACB' . . . 34719 1
12 '3D HNCACO' . . . 34719 1
13 '2D HBCBCGCDCEHE' . . . 34719 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 5 5 SER HA H 1 3.802 0.009 . 1 . . 365 A A 83 SER HA . 34719 1
2 . 1 . 1 5 5 SER CA C 13 62.025 0.016 . 1 . . 640 A A 83 SER CA . 34719 1
3 . 1 . 1 6 6 THR H H 1 7.354 0.007 . 1 . . 146 A A 84 THR H . 34719 1
4 . 1 . 1 6 6 THR HA H 1 4.304 0.002 . 1 . . 366 A A 84 THR HA . 34719 1
5 . 1 . 1 6 6 THR HB H 1 3.865 0.038 . 1 . . 367 A A 84 THR HB . 34719 1
6 . 1 . 1 6 6 THR HG21 H 1 1.185 0.005 . 1 . . 368 A A 84 THR HG21 . 34719 1
7 . 1 . 1 6 6 THR HG22 H 1 1.185 0.005 . 1 . . 368 A A 84 THR HG22 . 34719 1
8 . 1 . 1 6 6 THR HG23 H 1 1.185 0.005 . 1 . . 368 A A 84 THR HG23 . 34719 1
9 . 1 . 1 6 6 THR C C 13 176.483 0.005 . 1 . . 188 A A 84 THR C . 34719 1
10 . 1 . 1 6 6 THR CA C 13 66.047 0.026 . 1 . . 189 A A 84 THR CA . 34719 1
11 . 1 . 1 6 6 THR CB C 13 68.579 0.038 . 1 . . 187 A A 84 THR CB . 34719 1
12 . 1 . 1 6 6 THR CG2 C 13 22.126 0.09 . 1 . . 641 A A 84 THR CG2 . 34719 1
13 . 1 . 1 6 6 THR N N 15 118.017 0.09 . 1 . . 147 A A 84 THR N . 34719 1
14 . 1 . 1 7 7 VAL H H 1 7.401 0.007 . 1 . . 65 A A 85 VAL H . 34719 1
15 . 1 . 1 7 7 VAL HA H 1 3.452 0.006 . 1 . . 370 A A 85 VAL HA . 34719 1
16 . 1 . 1 7 7 VAL HB H 1 2.021 . . 1 . . 369 A A 85 VAL HB . 34719 1
17 . 1 . 1 7 7 VAL HG11 H 1 0.844 . . 1 . . 371 A A 85 VAL HG11 . 34719 1
18 . 1 . 1 7 7 VAL HG12 H 1 0.844 . . 1 . . 371 A A 85 VAL HG12 . 34719 1
19 . 1 . 1 7 7 VAL HG13 H 1 0.844 . . 1 . . 371 A A 85 VAL HG13 . 34719 1
20 . 1 . 1 7 7 VAL C C 13 177.590 0.004 . 1 . . 185 A A 85 VAL C . 34719 1
21 . 1 . 1 7 7 VAL CA C 13 66.519 0.043 . 1 . . 186 A A 85 VAL CA . 34719 1
22 . 1 . 1 7 7 VAL CB C 13 32.051 0.022 . 1 . . 184 A A 85 VAL CB . 34719 1
23 . 1 . 1 7 7 VAL CG1 C 13 20.519 . . 1 . . 643 A A 85 VAL CG1 . 34719 1
24 . 1 . 1 7 7 VAL CG2 C 13 22.136 . . 1 . . 642 A A 85 VAL CG2 . 34719 1
25 . 1 . 1 7 7 VAL N N 15 122.451 0.078 . 1 . . 66 A A 85 VAL N . 34719 1
26 . 1 . 1 8 8 ILE H H 1 8.346 0.008 . 1 . . 13 A A 86 ILE H . 34719 1
27 . 1 . 1 8 8 ILE HA H 1 3.548 0.0 . 1 . . 372 A A 86 ILE HA . 34719 1
28 . 1 . 1 8 8 ILE HB H 1 1.835 0.048 . 1 . . 373 A A 86 ILE HB . 34719 1
29 . 1 . 1 8 8 ILE HG12 H 1 1.712 0.004 . 1 . . 717 A A 86 ILE HG12 . 34719 1
30 . 1 . 1 8 8 ILE HG13 H 1 0.746 0.008 . 1 . . 374 A A 86 ILE HG13 . 34719 1
31 . 1 . 1 8 8 ILE HG21 H 1 1.013 0.005 . 1 . . 375 A A 86 ILE HG21 . 34719 1
32 . 1 . 1 8 8 ILE HG22 H 1 1.013 0.005 . 1 . . 375 A A 86 ILE HG22 . 34719 1
33 . 1 . 1 8 8 ILE HG23 H 1 1.013 0.005 . 1 . . 375 A A 86 ILE HG23 . 34719 1
34 . 1 . 1 8 8 ILE HD11 H 1 0.706 0.031 . 1 . . 718 A A 86 ILE HD11 . 34719 1
35 . 1 . 1 8 8 ILE HD12 H 1 0.706 0.031 . 1 . . 718 A A 86 ILE HD12 . 34719 1
36 . 1 . 1 8 8 ILE HD13 H 1 0.706 0.031 . 1 . . 718 A A 86 ILE HD13 . 34719 1
37 . 1 . 1 8 8 ILE C C 13 178.682 0.012 . 1 . . 181 A A 86 ILE C . 34719 1
38 . 1 . 1 8 8 ILE CA C 13 66.414 0.016 . 1 . . 183 A A 86 ILE CA . 34719 1
39 . 1 . 1 8 8 ILE CB C 13 38.545 0.024 . 1 . . 182 A A 86 ILE CB . 34719 1
40 . 1 . 1 8 8 ILE CG1 C 13 30.481 0.092 . 1 . . 644 A A 86 ILE CG1 . 34719 1
41 . 1 . 1 8 8 ILE CG2 C 13 18.273 0.01 . 1 . . 645 A A 86 ILE CG2 . 34719 1
42 . 1 . 1 8 8 ILE CD1 C 13 15.277 0.072 . 1 . . 646 A A 86 ILE CD1 . 34719 1
43 . 1 . 1 8 8 ILE N N 15 118.511 0.147 . 1 . . 14 A A 86 ILE N . 34719 1
44 . 1 . 1 9 9 MET H H 1 8.054 0.008 . 1 . . 90 A A 87 MET H . 34719 1
45 . 1 . 1 9 9 MET HA H 1 4.295 0.0 . 1 . . 376 A A 87 MET HA . 34719 1
46 . 1 . 1 9 9 MET HB2 H 1 2.113 0.017 . 1 . . 377 A A 87 MET HB2 . 34719 1
47 . 1 . 1 9 9 MET HG2 H 1 2.733 0.005 . 1 . . 378 A A 87 MET HG2 . 34719 1
48 . 1 . 1 9 9 MET C C 13 179.481 0.003 . 1 . . 179 A A 87 MET C . 34719 1
49 . 1 . 1 9 9 MET CA C 13 57.664 0.024 . 1 . . 178 A A 87 MET CA . 34719 1
50 . 1 . 1 9 9 MET CB C 13 31.018 0.021 . 1 . . 180 A A 87 MET CB . 34719 1
51 . 1 . 1 9 9 MET CG C 13 32.516 0.017 . 1 . . 721 A A 87 MET CG . 34719 1
52 . 1 . 1 9 9 MET N N 15 116.232 0.136 . 1 . . 91 A A 87 MET N . 34719 1
53 . 1 . 1 10 10 ARG H H 1 8.314 0.009 . 1 . . 138 A A 88 ARG H . 34719 1
54 . 1 . 1 10 10 ARG HA H 1 4.132 0.001 . 1 . . 379 A A 88 ARG HA . 34719 1
55 . 1 . 1 10 10 ARG HB2 H 1 1.957 0.004 . 1 . . 380 A A 88 ARG HB2 . 34719 1
56 . 1 . 1 10 10 ARG HG2 H 1 1.701 0.007 . 1 . . 381 A A 88 ARG HG2 . 34719 1
57 . 1 . 1 10 10 ARG HD2 H 1 3.174 0.019 . 1 . . 382 A A 88 ARG HD2 . 34719 1
58 . 1 . 1 10 10 ARG C C 13 180.039 0.011 . 1 . . 176 A A 88 ARG C . 34719 1
59 . 1 . 1 10 10 ARG CA C 13 59.581 0.014 . 1 . . 177 A A 88 ARG CA . 34719 1
60 . 1 . 1 10 10 ARG CB C 13 30.375 0.025 . 1 . . 175 A A 88 ARG CB . 34719 1
61 . 1 . 1 10 10 ARG CG C 13 27.286 0.058 . 1 . . 647 A A 88 ARG CG . 34719 1
62 . 1 . 1 10 10 ARG CD C 13 43.569 0.013 . 1 . . 648 A A 88 ARG CD . 34719 1
63 . 1 . 1 10 10 ARG N N 15 122.917 0.095 . 1 . . 139 A A 88 ARG N . 34719 1
64 . 1 . 1 11 11 GLU H H 1 8.681 0.006 . 1 . . 5 A A 89 GLU H . 34719 1
65 . 1 . 1 11 11 GLU HA H 1 4.353 0.001 . 1 . . 383 A A 89 GLU HA . 34719 1
66 . 1 . 1 11 11 GLU HB2 H 1 1.734 0.028 . 1 . . 385 A A 89 GLU HB2 . 34719 1
67 . 1 . 1 11 11 GLU HB3 H 1 1.867 0.015 . 1 . . 384 A A 89 GLU HB3 . 34719 1
68 . 1 . 1 11 11 GLU HG2 H 1 2.172 0.012 . 1 . . 386 A A 89 GLU HG2 . 34719 1
69 . 1 . 1 11 11 GLU C C 13 179.912 0.007 . 1 . . 602 A A 89 GLU C . 34719 1
70 . 1 . 1 11 11 GLU CA C 13 57.996 . . 1 . . 204 A A 89 GLU CA . 34719 1
71 . 1 . 1 11 11 GLU CB C 13 29.522 0.163 . 1 . . 205 A A 89 GLU CB . 34719 1
72 . 1 . 1 11 11 GLU CG C 13 36.792 0.042 . 1 . . 649 A A 89 GLU CG . 34719 1
73 . 1 . 1 11 11 GLU N N 15 117.172 0.1 . 1 . . 6 A A 89 GLU N . 34719 1
74 . 1 . 1 12 12 ALA H H 1 8.690 0.01 . 1 . . 142 A A 90 ALA H . 34719 1
75 . 1 . 1 12 12 ALA HA H 1 3.277 0.003 . 1 . . 387 A A 90 ALA HA . 34719 1
76 . 1 . 1 12 12 ALA HB1 H 1 1.202 0.001 . 1 . . 388 A A 90 ALA HB1 . 34719 1
77 . 1 . 1 12 12 ALA HB2 H 1 1.202 0.001 . 1 . . 388 A A 90 ALA HB2 . 34719 1
78 . 1 . 1 12 12 ALA HB3 H 1 1.202 0.001 . 1 . . 388 A A 90 ALA HB3 . 34719 1
79 . 1 . 1 12 12 ALA C C 13 179.153 0.003 . 1 . . 339 A A 90 ALA C . 34719 1
80 . 1 . 1 12 12 ALA CA C 13 56.156 0.016 . 1 . . 364 A A 90 ALA CA . 34719 1
81 . 1 . 1 12 12 ALA CB C 13 17.837 0.003 . 1 . . 338 A A 90 ALA CB . 34719 1
82 . 1 . 1 12 12 ALA N N 15 124.480 0.161 . 1 . . 143 A A 90 ALA N . 34719 1
83 . 1 . 1 13 13 ALA H H 1 7.623 0.014 . 1 . . 123 A A 91 ALA H . 34719 1
84 . 1 . 1 13 13 ALA HA H 1 4.154 . . 1 . . 389 A A 91 ALA HA . 34719 1
85 . 1 . 1 13 13 ALA HB1 H 1 1.474 . . 1 . . 390 A A 91 ALA HB1 . 34719 1
86 . 1 . 1 13 13 ALA HB2 H 1 1.474 . . 1 . . 390 A A 91 ALA HB2 . 34719 1
87 . 1 . 1 13 13 ALA HB3 H 1 1.474 . . 1 . . 390 A A 91 ALA HB3 . 34719 1
88 . 1 . 1 13 13 ALA C C 13 181.086 0.002 . 1 . . 320 A A 91 ALA C . 34719 1
89 . 1 . 1 13 13 ALA CA C 13 54.746 0.009 . 1 . . 318 A A 91 ALA CA . 34719 1
90 . 1 . 1 13 13 ALA CB C 13 17.589 0.002 . 1 . . 319 A A 91 ALA CB . 34719 1
91 . 1 . 1 13 13 ALA N N 15 119.760 0.159 . 1 . . 124 A A 91 ALA N . 34719 1
92 . 1 . 1 14 14 ARG H H 1 7.515 0.014 . 1 . . 102 A A 92 ARG H . 34719 1
93 . 1 . 1 14 14 ARG HA H 1 3.895 0.001 . 1 . . 391 A A 92 ARG HA . 34719 1
94 . 1 . 1 14 14 ARG HB2 H 1 1.742 . . 1 . . 392 A A 92 ARG HB2 . 34719 1
95 . 1 . 1 14 14 ARG HG2 H 1 1.188 0.006 . 1 . . 394 A A 92 ARG HG2 . 34719 1
96 . 1 . 1 14 14 ARG HG3 H 1 1.571 . . 1 . . 393 A A 92 ARG HG3 . 34719 1
97 . 1 . 1 14 14 ARG HD2 H 1 3.027 0.02 . 1 . . 395 A A 92 ARG HD2 . 34719 1
98 . 1 . 1 14 14 ARG C C 13 177.311 0.001 . 1 . . 302 A A 92 ARG C . 34719 1
99 . 1 . 1 14 14 ARG CA C 13 58.814 0.041 . 1 . . 300 A A 92 ARG CA . 34719 1
100 . 1 . 1 14 14 ARG CB C 13 30.385 0.008 . 1 . . 301 A A 92 ARG CB . 34719 1
101 . 1 . 1 14 14 ARG CG C 13 27.152 0.027 . 1 . . 650 A A 92 ARG CG . 34719 1
102 . 1 . 1 14 14 ARG CD C 13 43.383 0.018 . 1 . . 651 A A 92 ARG CD . 34719 1
103 . 1 . 1 14 14 ARG N N 15 118.263 0.146 . 1 . . 103 A A 92 ARG N . 34719 1
104 . 1 . 1 15 15 HIS H H 1 7.369 0.011 . 1 . . 33 A A 93 HIS H . 34719 1
105 . 1 . 1 15 15 HIS HA H 1 4.416 . . 1 . . 396 A A 93 HIS HA . 34719 1
106 . 1 . 1 15 15 HIS HB2 H 1 2.488 . . 1 . . 398 A A 93 HIS HB2 . 34719 1
107 . 1 . 1 15 15 HIS HB3 H 1 3.334 . . 1 . . 397 A A 93 HIS HB3 . 34719 1
108 . 1 . 1 15 15 HIS HD2 H 1 6.960 0.024 . 1 . . 619 A A 93 HIS HD2 . 34719 1
109 . 1 . 1 15 15 HIS C C 13 174.382 0.003 . 1 . . 227 A A 93 HIS C . 34719 1
110 . 1 . 1 15 15 HIS CA C 13 57.196 0.033 . 1 . . 225 A A 93 HIS CA . 34719 1
111 . 1 . 1 15 15 HIS CB C 13 30.854 0.09 . 1 . . 226 A A 93 HIS CB . 34719 1
112 . 1 . 1 15 15 HIS CD2 C 13 112.597 . . 1 . . 621 A A 93 HIS CD2 . 34719 1
113 . 1 . 1 15 15 HIS N N 15 114.122 0.153 . 1 . . 34 A A 93 HIS N . 34719 1
114 . 1 . 1 16 16 GLY H H 1 7.560 0.004 . 1 . . 134 A A 94 GLY H . 34719 1
115 . 1 . 1 16 16 GLY HA2 H 1 3.730 0.01 . 1 . . 400 A A 94 GLY HA2 . 34719 1
116 . 1 . 1 16 16 GLY HA3 H 1 3.880 0.016 . 1 . . 399 A A 94 GLY HA3 . 34719 1
117 . 1 . 1 16 16 GLY C C 13 174.107 0.007 . 1 . . 331 A A 94 GLY C . 34719 1
118 . 1 . 1 16 16 GLY CA C 13 46.461 0.016 . 1 . . 330 A A 94 GLY CA . 34719 1
119 . 1 . 1 16 16 GLY N N 15 108.287 0.035 . 1 . . 135 A A 94 GLY N . 34719 1
120 . 1 . 1 17 17 LEU H H 1 7.799 0.013 . 1 . . 118 A A 95 LEU H . 34719 1
121 . 1 . 1 17 17 LEU HA H 1 4.281 0.008 . 1 . . 401 A A 95 LEU HA . 34719 1
122 . 1 . 1 17 17 LEU HB2 H 1 0.647 0.007 . 1 . . 402 A A 95 LEU HB2 . 34719 1
123 . 1 . 1 17 17 LEU HG H 1 0.953 . . 1 . . 403 A A 95 LEU HG . 34719 1
124 . 1 . 1 17 17 LEU HD11 H 1 -0.061 0.005 . 1 . . 404 A A 95 LEU HD11 . 34719 1
125 . 1 . 1 17 17 LEU HD12 H 1 -0.061 0.005 . 1 . . 404 A A 95 LEU HD12 . 34719 1
126 . 1 . 1 17 17 LEU HD13 H 1 -0.061 0.005 . 1 . . 404 A A 95 LEU HD13 . 34719 1
127 . 1 . 1 17 17 LEU HD21 H 1 0.238 0.001 . 1 . . 405 A A 95 LEU HD21 . 34719 1
128 . 1 . 1 17 17 LEU HD22 H 1 0.238 0.001 . 1 . . 405 A A 95 LEU HD22 . 34719 1
129 . 1 . 1 17 17 LEU HD23 H 1 0.238 0.001 . 1 . . 405 A A 95 LEU HD23 . 34719 1
130 . 1 . 1 17 17 LEU C C 13 176.472 0.003 . 1 . . 314 A A 95 LEU C . 34719 1
131 . 1 . 1 17 17 LEU CA C 13 53.558 0.002 . 1 . . 312 A A 95 LEU CA . 34719 1
132 . 1 . 1 17 17 LEU CB C 13 43.219 0.031 . 1 . . 313 A A 95 LEU CB . 34719 1
133 . 1 . 1 17 17 LEU CG C 13 27.171 . . 1 . . 652 A A 95 LEU CG . 34719 1
134 . 1 . 1 17 17 LEU CD1 C 13 25.749 0.051 . 1 . . 653 A A 95 LEU CD1 . 34719 1
135 . 1 . 1 17 17 LEU CD2 C 13 24.172 0.006 . 1 . . 654 A A 95 LEU CD2 . 34719 1
136 . 1 . 1 17 17 LEU N N 15 120.443 0.145 . 1 . . 119 A A 95 LEU N . 34719 1
137 . 1 . 1 18 18 THR H H 1 9.126 0.012 . 1 . . 51 A A 96 THR H . 34719 1
138 . 1 . 1 18 18 THR HA H 1 4.160 0.003 . 1 . . 406 A A 96 THR HA . 34719 1
139 . 1 . 1 18 18 THR HB H 1 3.668 0.0 . 1 . . 407 A A 96 THR HB . 34719 1
140 . 1 . 1 18 18 THR HG21 H 1 0.939 0.002 . 1 . . 408 A A 96 THR HG21 . 34719 1
141 . 1 . 1 18 18 THR HG22 H 1 0.939 0.002 . 1 . . 408 A A 96 THR HG22 . 34719 1
142 . 1 . 1 18 18 THR HG23 H 1 0.939 0.002 . 1 . . 408 A A 96 THR HG23 . 34719 1
143 . 1 . 1 18 18 THR C C 13 172.801 0.004 . 1 . . 247 A A 96 THR C . 34719 1
144 . 1 . 1 18 18 THR CA C 13 62.211 0.072 . 1 . . 245 A A 96 THR CA . 34719 1
145 . 1 . 1 18 18 THR CB C 13 70.154 0.01 . 1 . . 246 A A 96 THR CB . 34719 1
146 . 1 . 1 18 18 THR CG2 C 13 21.210 0.047 . 1 . . 722 A A 96 THR CG2 . 34719 1
147 . 1 . 1 18 18 THR N N 15 118.622 0.07 . 1 . . 52 A A 96 THR N . 34719 1
148 . 1 . 1 19 19 ILE H H 1 8.669 0.011 . 1 . . 41 A A 97 ILE H . 34719 1
149 . 1 . 1 19 19 ILE HA H 1 4.104 0.014 . 1 . . 409 A A 97 ILE HA . 34719 1
150 . 1 . 1 19 19 ILE HB H 1 1.868 0.011 . 1 . . 410 A A 97 ILE HB . 34719 1
151 . 1 . 1 19 19 ILE HG12 H 1 1.168 0.022 . 1 . . 411 A A 97 ILE HG12 . 34719 1
152 . 1 . 1 19 19 ILE HG13 H 1 0.550 . . 1 . . 723 A A 97 ILE HG13 . 34719 1
153 . 1 . 1 19 19 ILE HG21 H 1 0.702 0.005 . 1 . . 412 A A 97 ILE HG21 . 34719 1
154 . 1 . 1 19 19 ILE HG22 H 1 0.702 0.005 . 1 . . 412 A A 97 ILE HG22 . 34719 1
155 . 1 . 1 19 19 ILE HG23 H 1 0.702 0.005 . 1 . . 412 A A 97 ILE HG23 . 34719 1
156 . 1 . 1 19 19 ILE HD11 H 1 0.530 0.022 . 1 . . 724 A A 97 ILE HD11 . 34719 1
157 . 1 . 1 19 19 ILE HD12 H 1 0.530 0.022 . 1 . . 724 A A 97 ILE HD12 . 34719 1
158 . 1 . 1 19 19 ILE HD13 H 1 0.530 0.022 . 1 . . 724 A A 97 ILE HD13 . 34719 1
159 . 1 . 1 19 19 ILE C C 13 175.556 0.002 . 1 . . 235 A A 97 ILE C . 34719 1
160 . 1 . 1 19 19 ILE CA C 13 59.492 0.023 . 1 . . 233 A A 97 ILE CA . 34719 1
161 . 1 . 1 19 19 ILE CB C 13 36.712 0.045 . 1 . . 234 A A 97 ILE CB . 34719 1
162 . 1 . 1 19 19 ILE CG1 C 13 27.652 0.023 . 1 . . 655 A A 97 ILE CG1 . 34719 1
163 . 1 . 1 19 19 ILE CG2 C 13 18.114 0.079 . 1 . . 656 A A 97 ILE CG2 . 34719 1
164 . 1 . 1 19 19 ILE CD1 C 13 13.227 0.082 . 1 . . 657 A A 97 ILE CD1 . 34719 1
165 . 1 . 1 19 19 ILE N N 15 128.016 0.045 . 1 . . 42 A A 97 ILE N . 34719 1
166 . 1 . 1 20 20 VAL H H 1 8.721 0.007 . 1 . . 132 A A 98 VAL H . 34719 1
167 . 1 . 1 20 20 VAL HA H 1 3.859 . . 1 . . 413 A A 98 VAL HA . 34719 1
168 . 1 . 1 20 20 VAL HB H 1 1.663 . . 1 . . 414 A A 98 VAL HB . 34719 1
169 . 1 . 1 20 20 VAL HG11 H 1 0.831 . . 1 . . 415 A A 98 VAL HG11 . 34719 1
170 . 1 . 1 20 20 VAL HG12 H 1 0.831 . . 1 . . 415 A A 98 VAL HG12 . 34719 1
171 . 1 . 1 20 20 VAL HG13 H 1 0.831 . . 1 . . 415 A A 98 VAL HG13 . 34719 1
172 . 1 . 1 20 20 VAL C C 13 175.945 0.006 . 1 . . 329 A A 98 VAL C . 34719 1
173 . 1 . 1 20 20 VAL CA C 13 63.625 0.012 . 1 . . 328 A A 98 VAL CA . 34719 1
174 . 1 . 1 20 20 VAL CB C 13 32.811 0.045 . 1 . . 327 A A 98 VAL CB . 34719 1
175 . 1 . 1 20 20 VAL CG1 C 13 21.075 . . 1 . . 658 A A 98 VAL CG1 . 34719 1
176 . 1 . 1 20 20 VAL N N 15 127.468 0.058 . 1 . . 133 A A 98 VAL N . 34719 1
177 . 1 . 1 21 21 ARG H H 1 7.454 0.013 . 1 . . 127 A A 99 ARG H . 34719 1
178 . 1 . 1 21 21 ARG HA H 1 4.456 0.0 . 1 . . 416 A A 99 ARG HA . 34719 1
179 . 1 . 1 21 21 ARG HB2 H 1 1.684 0.002 . 1 . . 417 A A 99 ARG HB2 . 34719 1
180 . 1 . 1 21 21 ARG HG2 H 1 1.440 . . 1 . . 418 A A 99 ARG HG2 . 34719 1
181 . 1 . 1 21 21 ARG HD2 H 1 3.097 0.005 . 1 . . 419 A A 99 ARG HD2 . 34719 1
182 . 1 . 1 21 21 ARG C C 13 172.809 0.004 . 1 . . 324 A A 99 ARG C . 34719 1
183 . 1 . 1 21 21 ARG CA C 13 55.938 0.015 . 1 . . 325 A A 99 ARG CA . 34719 1
184 . 1 . 1 21 21 ARG CB C 13 33.973 0.009 . 1 . . 326 A A 99 ARG CB . 34719 1
185 . 1 . 1 21 21 ARG CG C 13 27.504 . . 1 . . 660 A A 99 ARG CG . 34719 1
186 . 1 . 1 21 21 ARG CD C 13 43.360 0.004 . 1 . . 659 A A 99 ARG CD . 34719 1
187 . 1 . 1 21 21 ARG N N 15 116.785 0.121 . 1 . . 128 A A 99 ARG N . 34719 1
188 . 1 . 1 22 22 LEU H H 1 8.613 0.007 . 1 . . 150 A A 100 LEU H . 34719 1
189 . 1 . 1 22 22 LEU HA H 1 4.785 0.001 . 1 . . 420 A A 100 LEU HA . 34719 1
190 . 1 . 1 22 22 LEU HB2 H 1 1.428 0.001 . 1 . . 422 A A 100 LEU HB2 . 34719 1
191 . 1 . 1 22 22 LEU HB3 H 1 1.610 0.003 . 1 . . 421 A A 100 LEU HB3 . 34719 1
192 . 1 . 1 22 22 LEU HG H 1 1.446 . . 1 . . 599 A A 100 LEU HG . 34719 1
193 . 1 . 1 22 22 LEU HD11 H 1 0.775 0.007 . 1 . . 423 A A 100 LEU HD11 . 34719 1
194 . 1 . 1 22 22 LEU HD12 H 1 0.775 0.007 . 1 . . 423 A A 100 LEU HD12 . 34719 1
195 . 1 . 1 22 22 LEU HD13 H 1 0.775 0.007 . 1 . . 423 A A 100 LEU HD13 . 34719 1
196 . 1 . 1 22 22 LEU C C 13 174.996 0.006 . 1 . . 347 A A 100 LEU C . 34719 1
197 . 1 . 1 22 22 LEU CA C 13 55.027 0.101 . 1 . . 345 A A 100 LEU CA . 34719 1
198 . 1 . 1 22 22 LEU CB C 13 44.249 0.019 . 1 . . 346 A A 100 LEU CB . 34719 1
199 . 1 . 1 22 22 LEU CG C 13 27.952 . . 1 . . 661 A A 100 LEU CG . 34719 1
200 . 1 . 1 22 22 LEU CD1 C 13 25.665 0.014 . 1 . . 662 A A 100 LEU CD1 . 34719 1
201 . 1 . 1 22 22 LEU CD2 C 13 26.018 . . 1 . . 663 A A 100 LEU CD2 . 34719 1
202 . 1 . 1 22 22 LEU N N 15 126.017 0.054 . 1 . . 151 A A 100 LEU N . 34719 1
203 . 1 . 1 23 23 GLN H H 1 8.953 0.006 . 1 . . 27 A A 101 GLN H . 34719 1
204 . 1 . 1 23 23 GLN C C 13 173.194 . . 1 . . 224 A A 101 GLN C . 34719 1
205 . 1 . 1 23 23 GLN CA C 13 52.195 . . 1 . . 222 A A 101 GLN CA . 34719 1
206 . 1 . 1 23 23 GLN CB C 13 31.874 . . 1 . . 223 A A 101 GLN CB . 34719 1
207 . 1 . 1 23 23 GLN N N 15 124.278 0.06 . 1 . . 28 A A 101 GLN N . 34719 1
208 . 1 . 1 27 27 SER HA H 1 4.377 0.004 . 1 . . 424 A A 105 SER HA . 34719 1
209 . 1 . 1 27 27 SER HB2 H 1 4.069 0.01 . 2 . . 425 A A 105 SER HB2 . 34719 1
210 . 1 . 1 27 27 SER HB3 H 1 3.871 . . 2 . . 426 A A 105 SER HB3 . 34719 1
211 . 1 . 1 27 27 SER C C 13 173.483 . . 1 . . 601 A A 105 SER C . 34719 1
212 . 1 . 1 27 27 SER CA C 13 59.226 0.019 . 1 . . 604 A A 105 SER CA . 34719 1
213 . 1 . 1 27 27 SER CB C 13 63.301 0.025 . 1 . . 603 A A 105 SER CB . 34719 1
214 . 1 . 1 28 28 ARG H H 1 7.801 0.012 . 1 . . 57 A A 106 ARG H . 34719 1
215 . 1 . 1 28 28 ARG HA H 1 4.971 0.003 . 1 . . 427 A A 106 ARG HA . 34719 1
216 . 1 . 1 28 28 ARG HB2 H 1 1.818 . . 2 . . 428 A A 106 ARG HB2 . 34719 1
217 . 1 . 1 28 28 ARG HB3 H 1 1.657 . . 2 . . 429 A A 106 ARG HB3 . 34719 1
218 . 1 . 1 28 28 ARG HG2 H 1 1.401 . . 1 . . 430 A A 106 ARG HG2 . 34719 1
219 . 1 . 1 28 28 ARG HD2 H 1 3.074 . . 1 . . 431 A A 106 ARG HD2 . 34719 1
220 . 1 . 1 28 28 ARG C C 13 175.894 0.003 . 1 . . 256 A A 106 ARG C . 34719 1
221 . 1 . 1 28 28 ARG CA C 13 55.130 0.004 . 1 . . 254 A A 106 ARG CA . 34719 1
222 . 1 . 1 28 28 ARG CB C 13 32.641 0.012 . 1 . . 255 A A 106 ARG CB . 34719 1
223 . 1 . 1 28 28 ARG CG C 13 28.744 . . 1 . . 665 A A 106 ARG CG . 34719 1
224 . 1 . 1 28 28 ARG CD C 13 43.751 . . 1 . . 664 A A 106 ARG CD . 34719 1
225 . 1 . 1 28 28 ARG N N 15 120.659 0.117 . 1 . . 58 A A 106 ARG N . 34719 1
226 . 1 . 1 29 29 LEU H H 1 8.919 0.014 . 1 . . 23 A A 107 LEU H . 34719 1
227 . 1 . 1 29 29 LEU HA H 1 4.673 0.007 . 1 . . 432 A A 107 LEU HA . 34719 1
228 . 1 . 1 29 29 LEU HB2 H 1 1.379 0.005 . 2 . . 433 A A 107 LEU HB2 . 34719 1
229 . 1 . 1 29 29 LEU HB3 H 1 1.093 0.002 . 2 . . 434 A A 107 LEU HB3 . 34719 1
230 . 1 . 1 29 29 LEU HG H 1 1.395 0.002 . 1 . . 436 A A 107 LEU HG . 34719 1
231 . 1 . 1 29 29 LEU HD11 H 1 0.656 0.003 . 1 . . 435 A A 107 LEU HD11 . 34719 1
232 . 1 . 1 29 29 LEU HD12 H 1 0.656 0.003 . 1 . . 435 A A 107 LEU HD12 . 34719 1
233 . 1 . 1 29 29 LEU HD13 H 1 0.656 0.003 . 1 . . 435 A A 107 LEU HD13 . 34719 1
234 . 1 . 1 29 29 LEU C C 13 174.552 0.001 . 1 . . 218 A A 107 LEU C . 34719 1
235 . 1 . 1 29 29 LEU CA C 13 54.253 0.052 . 1 . . 217 A A 107 LEU CA . 34719 1
236 . 1 . 1 29 29 LEU CB C 13 45.278 0.032 . 1 . . 216 A A 107 LEU CB . 34719 1
237 . 1 . 1 29 29 LEU CG C 13 27.070 0.09 . 1 . . 667 A A 107 LEU CG . 34719 1
238 . 1 . 1 29 29 LEU CD1 C 13 25.569 0.074 . 1 . . 666 A A 107 LEU CD1 . 34719 1
239 . 1 . 1 29 29 LEU N N 15 121.733 0.076 . 1 . . 24 A A 107 LEU N . 34719 1
240 . 1 . 1 30 30 SER H H 1 8.583 0.008 . 1 . . 120 A A 108 SER H . 34719 1
241 . 1 . 1 30 30 SER HA H 1 5.186 0.0 . 1 . . 437 A A 108 SER HA . 34719 1
242 . 1 . 1 30 30 SER HB2 H 1 3.851 . . 2 . . 438 A A 108 SER HB2 . 34719 1
243 . 1 . 1 30 30 SER HB3 H 1 3.729 0.026 . 2 . . 439 A A 108 SER HB3 . 34719 1
244 . 1 . 1 30 30 SER C C 13 174.882 0.021 . 1 . . 317 A A 108 SER C . 34719 1
245 . 1 . 1 30 30 SER CA C 13 56.959 0.132 . 1 . . 315 A A 108 SER CA . 34719 1
246 . 1 . 1 30 30 SER CB C 13 63.601 0.027 . 1 . . 316 A A 108 SER CB . 34719 1
247 . 1 . 1 30 30 SER N N 15 118.075 0.034 . 1 . . 121 A A 108 SER N . 34719 1
248 . 1 . 1 31 31 LEU H H 1 8.953 0.01 . 1 . . 19 A A 109 LEU H . 34719 1
249 . 1 . 1 31 31 LEU HA H 1 5.148 0.003 . 1 . . 440 A A 109 LEU HA . 34719 1
250 . 1 . 1 31 31 LEU HB2 H 1 1.629 0.008 . 2 . . 441 A A 109 LEU HB2 . 34719 1
251 . 1 . 1 31 31 LEU HB3 H 1 1.523 0.003 . 2 . . 442 A A 109 LEU HB3 . 34719 1
252 . 1 . 1 31 31 LEU HG H 1 1.535 . . 1 . . 444 A A 109 LEU HG . 34719 1
253 . 1 . 1 31 31 LEU HD11 H 1 0.877 . . 1 . . 443 A A 109 LEU HD11 . 34719 1
254 . 1 . 1 31 31 LEU HD12 H 1 0.877 . . 1 . . 443 A A 109 LEU HD12 . 34719 1
255 . 1 . 1 31 31 LEU HD13 H 1 0.877 . . 1 . . 443 A A 109 LEU HD13 . 34719 1
256 . 1 . 1 31 31 LEU C C 13 175.766 0.003 . 1 . . 166 A A 109 LEU C . 34719 1
257 . 1 . 1 31 31 LEU CA C 13 54.756 0.028 . 1 . . 164 A A 109 LEU CA . 34719 1
258 . 1 . 1 31 31 LEU CB C 13 45.623 0.038 . 1 . . 165 A A 109 LEU CB . 34719 1
259 . 1 . 1 31 31 LEU CG C 13 29.501 . . 1 . . 668 A A 109 LEU CG . 34719 1
260 . 1 . 1 31 31 LEU CD1 C 13 26.282 . . 1 . . 669 A A 109 LEU CD1 . 34719 1
261 . 1 . 1 31 31 LEU CD2 C 13 26.816 . . 1 . . 670 A A 109 LEU CD2 . 34719 1
262 . 1 . 1 31 31 LEU N N 15 129.562 0.044 . 1 . . 20 A A 109 LEU N . 34719 1
263 . 1 . 1 32 32 THR H H 1 8.481 0.006 . 1 . . 61 A A 110 THR H . 34719 1
264 . 1 . 1 32 32 THR HA H 1 4.642 0.003 . 1 . . 445 A A 110 THR HA . 34719 1
265 . 1 . 1 32 32 THR HB H 1 3.841 0.0 . 1 . . 446 A A 110 THR HB . 34719 1
266 . 1 . 1 32 32 THR HG21 H 1 1.154 0.001 . 1 . . 447 A A 110 THR HG21 . 34719 1
267 . 1 . 1 32 32 THR HG22 H 1 1.154 0.001 . 1 . . 447 A A 110 THR HG22 . 34719 1
268 . 1 . 1 32 32 THR HG23 H 1 1.154 0.001 . 1 . . 447 A A 110 THR HG23 . 34719 1
269 . 1 . 1 32 32 THR C C 13 173.561 0.004 . 1 . . 162 A A 110 THR C . 34719 1
270 . 1 . 1 32 32 THR CA C 13 61.845 0.022 . 1 . . 163 A A 110 THR CA . 34719 1
271 . 1 . 1 32 32 THR CB C 13 69.830 0.017 . 1 . . 161 A A 110 THR CB . 34719 1
272 . 1 . 1 32 32 THR CG2 C 13 21.250 0.034 . 1 . . 671 A A 110 THR CG2 . 34719 1
273 . 1 . 1 32 32 THR N N 15 117.794 0.037 . 1 . . 62 A A 110 THR N . 34719 1
274 . 1 . 1 33 33 VAL H H 1 9.181 0.012 . 1 . . 1 A A 111 VAL H . 34719 1
275 . 1 . 1 33 33 VAL HA H 1 4.714 0.0 . 1 . . 448 A A 111 VAL HA . 34719 1
276 . 1 . 1 33 33 VAL HB H 1 1.765 . . 1 . . 449 A A 111 VAL HB . 34719 1
277 . 1 . 1 33 33 VAL HG11 H 1 0.842 0.011 . 1 . . 450 A A 111 VAL HG11 . 34719 1
278 . 1 . 1 33 33 VAL HG12 H 1 0.842 0.011 . 1 . . 450 A A 111 VAL HG12 . 34719 1
279 . 1 . 1 33 33 VAL HG13 H 1 0.842 0.011 . 1 . . 450 A A 111 VAL HG13 . 34719 1
280 . 1 . 1 33 33 VAL HG21 H 1 0.848 . . 1 . . 451 A A 111 VAL HG21 . 34719 1
281 . 1 . 1 33 33 VAL HG22 H 1 0.848 . . 1 . . 451 A A 111 VAL HG22 . 34719 1
282 . 1 . 1 33 33 VAL HG23 H 1 0.848 . . 1 . . 451 A A 111 VAL HG23 . 34719 1
283 . 1 . 1 33 33 VAL C C 13 175.653 0.002 . 1 . . 201 A A 111 VAL C . 34719 1
284 . 1 . 1 33 33 VAL CA C 13 60.210 0.019 . 1 . . 202 A A 111 VAL CA . 34719 1
285 . 1 . 1 33 33 VAL CB C 13 35.605 0.01 . 1 . . 203 A A 111 VAL CB . 34719 1
286 . 1 . 1 33 33 VAL CG1 C 13 20.770 0.027 . 1 . . 672 A A 111 VAL CG1 . 34719 1
287 . 1 . 1 33 33 VAL CG2 C 13 21.664 . . 1 . . 673 A A 111 VAL CG2 . 34719 1
288 . 1 . 1 33 33 VAL N N 15 127.745 0.091 . 1 . . 2 A A 111 VAL N . 34719 1
289 . 1 . 1 34 34 GLN H H 1 7.930 0.008 . 1 . . 76 A A 112 GLN H . 34719 1
290 . 1 . 1 34 34 GLN C C 13 172.787 . . 1 . . 275 A A 112 GLN C . 34719 1
291 . 1 . 1 34 34 GLN CA C 13 55.709 . . 1 . . 273 A A 112 GLN CA . 34719 1
292 . 1 . 1 34 34 GLN CB C 13 27.426 . . 1 . . 274 A A 112 GLN CB . 34719 1
293 . 1 . 1 34 34 GLN N N 15 124.973 0.082 . 1 . . 77 A A 112 GLN N . 34719 1
294 . 1 . 1 35 35 PRO HA H 1 4.697 0.003 . 1 . . 452 A A 113 PRO HA . 34719 1
295 . 1 . 1 35 35 PRO HB2 H 1 2.172 . . 2 . . 453 A A 113 PRO HB2 . 34719 1
296 . 1 . 1 35 35 PRO HB3 H 1 1.959 . . 2 . . 454 A A 113 PRO HB3 . 34719 1
297 . 1 . 1 35 35 PRO HG2 H 1 1.955 . . 2 . . 455 A A 113 PRO HG2 . 34719 1
298 . 1 . 1 35 35 PRO HG3 H 1 2.203 . . 2 . . 456 A A 113 PRO HG3 . 34719 1
299 . 1 . 1 35 35 PRO C C 13 175.641 . . 1 . . 607 A A 113 PRO C . 34719 1
300 . 1 . 1 35 35 PRO CA C 13 64.983 0.044 . 1 . . 605 A A 113 PRO CA . 34719 1
301 . 1 . 1 35 35 PRO CB C 13 31.518 . . 1 . . 606 A A 113 PRO CB . 34719 1
302 . 1 . 1 35 35 PRO CG C 13 28.674 . . 1 . . 674 A A 113 PRO CG . 34719 1
303 . 1 . 1 35 35 PRO CD C 13 50.618 . . 1 . . 675 A A 113 PRO CD . 34719 1
304 . 1 . 1 36 36 ALA H H 1 8.411 0.009 . 1 . . 70 A A 114 ALA H . 34719 1
305 . 1 . 1 36 36 ALA HA H 1 4.047 0.002 . 1 . . 457 A A 114 ALA HA . 34719 1
306 . 1 . 1 36 36 ALA HB1 H 1 0.949 0.001 . 1 . . 458 A A 114 ALA HB1 . 34719 1
307 . 1 . 1 36 36 ALA HB2 H 1 0.949 0.001 . 1 . . 458 A A 114 ALA HB2 . 34719 1
308 . 1 . 1 36 36 ALA HB3 H 1 0.949 0.001 . 1 . . 458 A A 114 ALA HB3 . 34719 1
309 . 1 . 1 36 36 ALA C C 13 175.136 0.005 . 1 . . 267 A A 114 ALA C . 34719 1
310 . 1 . 1 36 36 ALA CA C 13 50.512 0.009 . 1 . . 265 A A 114 ALA CA . 34719 1
311 . 1 . 1 36 36 ALA CB C 13 24.165 0.008 . 1 . . 266 A A 114 ALA CB . 34719 1
312 . 1 . 1 36 36 ALA N N 15 122.606 0.066 . 1 . . 71 A A 114 ALA N . 34719 1
313 . 1 . 1 37 37 ASP H H 1 7.173 0.007 . 1 . . 98 A A 115 ASP H . 34719 1
314 . 1 . 1 37 37 ASP HA H 1 3.440 0.001 . 1 . . 459 A A 115 ASP HA . 34719 1
315 . 1 . 1 37 37 ASP HB2 H 1 2.156 0.003 . 2 . . 460 A A 115 ASP HB2 . 34719 1
316 . 1 . 1 37 37 ASP HB3 H 1 1.709 0.003 . 2 . . 461 A A 115 ASP HB3 . 34719 1
317 . 1 . 1 37 37 ASP C C 13 176.975 0.003 . 1 . . 296 A A 115 ASP C . 34719 1
318 . 1 . 1 37 37 ASP CA C 13 54.045 0.011 . 1 . . 295 A A 115 ASP CA . 34719 1
319 . 1 . 1 37 37 ASP CB C 13 41.782 0.016 . 1 . . 294 A A 115 ASP CB . 34719 1
320 . 1 . 1 37 37 ASP N N 15 120.868 0.119 . 1 . . 99 A A 115 ASP N . 34719 1
321 . 1 . 1 38 38 PHE H H 1 9.024 0.005 . 1 . . 72 A A 116 PHE H . 34719 1
322 . 1 . 1 38 38 PHE HA H 1 4.090 0.002 . 1 . . 462 A A 116 PHE HA . 34719 1
323 . 1 . 1 38 38 PHE HB2 H 1 3.110 0.019 . 1 . . 463 A A 116 PHE HB2 . 34719 1
324 . 1 . 1 38 38 PHE HD1 H 1 7.155 0.001 . 1 . . 615 A A 116 PHE HD1 . 34719 1
325 . 1 . 1 38 38 PHE HD2 H 1 7.155 0.001 . 1 . . 615 A A 116 PHE HD2 . 34719 1
326 . 1 . 1 38 38 PHE HE1 H 1 7.062 0.0 . 1 . . 616 A A 116 PHE HE1 . 34719 1
327 . 1 . 1 38 38 PHE HE2 H 1 7.062 0.0 . 1 . . 616 A A 116 PHE HE2 . 34719 1
328 . 1 . 1 38 38 PHE HZ H 1 6.949 . . 1 . . 631 A A 116 PHE HZ . 34719 1
329 . 1 . 1 38 38 PHE C C 13 176.867 . . 1 . . 608 A A 116 PHE C . 34719 1
330 . 1 . 1 38 38 PHE CA C 13 60.037 0.061 . 1 . . 268 A A 116 PHE CA . 34719 1
331 . 1 . 1 38 38 PHE CB C 13 39.506 0.028 . 1 . . 269 A A 116 PHE CB . 34719 1
332 . 1 . 1 38 38 PHE CD1 C 13 131.321 . . 1 . . 623 A A 116 PHE CD1 . 34719 1
333 . 1 . 1 38 38 PHE CD2 C 13 131.321 . . 1 . . 623 A A 116 PHE CD2 . 34719 1
334 . 1 . 1 38 38 PHE CE1 C 13 130.442 . . 1 . . 622 A A 116 PHE CE1 . 34719 1
335 . 1 . 1 38 38 PHE CE2 C 13 130.442 . . 1 . . 622 A A 116 PHE CE2 . 34719 1
336 . 1 . 1 38 38 PHE CZ C 13 129.257 . . 1 . . 632 A A 116 PHE CZ . 34719 1
337 . 1 . 1 38 38 PHE N N 15 129.067 0.031 . 1 . . 73 A A 116 PHE N . 34719 1
338 . 1 . 1 39 39 GLN H H 1 8.239 0.025 . 1 . . 55 A A 117 GLN H . 34719 1
339 . 1 . 1 39 39 GLN HA H 1 3.729 0.004 . 1 . . 464 A A 117 GLN HA . 34719 1
340 . 1 . 1 39 39 GLN HB2 H 1 2.134 0.013 . 2 . . 465 A A 117 GLN HB2 . 34719 1
341 . 1 . 1 39 39 GLN HB3 H 1 1.977 0.006 . 2 . . 466 A A 117 GLN HB3 . 34719 1
342 . 1 . 1 39 39 GLN HG2 H 1 2.461 . . 2 . . 467 A A 117 GLN HG2 . 34719 1
343 . 1 . 1 39 39 GLN HG3 H 1 2.337 . . 2 . . 468 A A 117 GLN HG3 . 34719 1
344 . 1 . 1 39 39 GLN HE21 H 1 6.782 0.018 . 1 . . 96 A A 117 GLN HE21 . 34719 1
345 . 1 . 1 39 39 GLN HE22 H 1 7.294 0.014 . 1 . . 129 A A 117 GLN HE22 . 34719 1
346 . 1 . 1 39 39 GLN C C 13 179.259 0.002 . 1 . . 253 A A 117 GLN C . 34719 1
347 . 1 . 1 39 39 GLN CA C 13 59.124 0.043 . 1 . . 251 A A 117 GLN CA . 34719 1
348 . 1 . 1 39 39 GLN CB C 13 28.134 0.064 . 1 . . 252 A A 117 GLN CB . 34719 1
349 . 1 . 1 39 39 GLN CG C 13 34.427 . . 1 . . 676 A A 117 GLN CG . 34719 1
350 . 1 . 1 39 39 GLN N N 15 116.102 0.046 . 1 . . 56 A A 117 GLN N . 34719 1
351 . 1 . 1 39 39 GLN NE2 N 15 110.503 0.225 . 1 . . 97 A A 117 GLN NE2 . 34719 1
352 . 1 . 1 40 40 ALA H H 1 7.634 0.014 . 1 . . 114 A A 118 ALA H . 34719 1
353 . 1 . 1 40 40 ALA HA H 1 4.139 . . 1 . . 469 A A 118 ALA HA . 34719 1
354 . 1 . 1 40 40 ALA HB1 H 1 1.469 0.002 . 1 . . 470 A A 118 ALA HB1 . 34719 1
355 . 1 . 1 40 40 ALA HB2 H 1 1.469 0.002 . 1 . . 470 A A 118 ALA HB2 . 34719 1
356 . 1 . 1 40 40 ALA HB3 H 1 1.469 0.002 . 1 . . 470 A A 118 ALA HB3 . 34719 1
357 . 1 . 1 40 40 ALA C C 13 179.153 0.079 . 1 . . 308 A A 118 ALA C . 34719 1
358 . 1 . 1 40 40 ALA CA C 13 54.965 0.002 . 1 . . 306 A A 118 ALA CA . 34719 1
359 . 1 . 1 40 40 ALA CB C 13 18.520 0.011 . 1 . . 307 A A 118 ALA CB . 34719 1
360 . 1 . 1 40 40 ALA N N 15 124.791 0.091 . 1 . . 115 A A 118 ALA N . 34719 1
361 . 1 . 1 41 41 LEU H H 1 8.043 0.02 . 1 . . 152 A A 119 LEU H . 34719 1
362 . 1 . 1 41 41 LEU HA H 1 3.936 . . 1 . . 471 A A 119 LEU HA . 34719 1
363 . 1 . 1 41 41 LEU HB2 H 1 1.221 0.004 . 1 . . 473 A A 119 LEU HB2 . 34719 1
364 . 1 . 1 41 41 LEU HB3 H 1 1.984 0.0 . 1 . . 472 A A 119 LEU HB3 . 34719 1
365 . 1 . 1 41 41 LEU HG H 1 1.596 0.005 . 1 . . 600 A A 119 LEU HG . 34719 1
366 . 1 . 1 41 41 LEU HD11 H 1 0.858 0.002 . 1 . . 474 A A 119 LEU HD11 . 34719 1
367 . 1 . 1 41 41 LEU HD12 H 1 0.858 0.002 . 1 . . 474 A A 119 LEU HD12 . 34719 1
368 . 1 . 1 41 41 LEU HD13 H 1 0.858 0.002 . 1 . . 474 A A 119 LEU HD13 . 34719 1
369 . 1 . 1 41 41 LEU C C 13 178.622 0.004 . 1 . . 350 A A 119 LEU C . 34719 1
370 . 1 . 1 41 41 LEU CA C 13 58.471 0.015 . 1 . . 349 A A 119 LEU CA . 34719 1
371 . 1 . 1 41 41 LEU CB C 13 42.117 0.028 . 1 . . 348 A A 119 LEU CB . 34719 1
372 . 1 . 1 41 41 LEU CG C 13 27.132 0.054 . 1 . . 677 A A 119 LEU CG . 34719 1
373 . 1 . 1 41 41 LEU CD1 C 13 27.098 0.084 . 1 . . 715 A A 119 LEU CD1 . 34719 1
374 . 1 . 1 41 41 LEU N N 15 118.108 0.152 . 1 . . 153 A A 119 LEU N . 34719 1
375 . 1 . 1 42 42 MET H H 1 8.040 0.01 . 1 . . 140 A A 120 MET H . 34719 1
376 . 1 . 1 42 42 MET HA H 1 3.911 . . 1 . . 475 A A 120 MET HA . 34719 1
377 . 1 . 1 42 42 MET HB2 H 1 1.742 . . 1 . . 476 A A 120 MET HB2 . 34719 1
378 . 1 . 1 42 42 MET C C 13 178.339 0.008 . 1 . . 337 A A 120 MET C . 34719 1
379 . 1 . 1 42 42 MET CA C 13 58.230 0.03 . 1 . . 336 A A 120 MET CA . 34719 1
380 . 1 . 1 42 42 MET CB C 13 32.101 0.004 . 1 . . 335 A A 120 MET CB . 34719 1
381 . 1 . 1 42 42 MET CG C 13 32.214 . . 1 . . 678 A A 120 MET CG . 34719 1
382 . 1 . 1 42 42 MET N N 15 115.454 0.091 . 1 . . 141 A A 120 MET N . 34719 1
383 . 1 . 1 43 43 ALA H H 1 7.812 0.012 . 1 . . 88 A A 121 ALA H . 34719 1
384 . 1 . 1 43 43 ALA HA H 1 3.982 . . 1 . . 477 A A 121 ALA HA . 34719 1
385 . 1 . 1 43 43 ALA HB1 H 1 1.366 0.001 . 1 . . 478 A A 121 ALA HB1 . 34719 1
386 . 1 . 1 43 43 ALA HB2 H 1 1.366 0.001 . 1 . . 478 A A 121 ALA HB2 . 34719 1
387 . 1 . 1 43 43 ALA HB3 H 1 1.366 0.001 . 1 . . 478 A A 121 ALA HB3 . 34719 1
388 . 1 . 1 43 43 ALA C C 13 180.435 0.001 . 1 . . 290 A A 121 ALA C . 34719 1
389 . 1 . 1 43 43 ALA CA C 13 55.008 0.046 . 1 . . 288 A A 121 ALA CA . 34719 1
390 . 1 . 1 43 43 ALA CB C 13 17.987 0.017 . 1 . . 289 A A 121 ALA CB . 34719 1
391 . 1 . 1 43 43 ALA N N 15 123.296 0.126 . 1 . . 89 A A 121 ALA N . 34719 1
392 . 1 . 1 44 44 TRP H H 1 8.079 0.01 . 1 . . 157 A A 122 TRP H . 34719 1
393 . 1 . 1 44 44 TRP HA H 1 3.505 0.001 . 1 . . 479 A A 122 TRP HA . 34719 1
394 . 1 . 1 44 44 TRP HB2 H 1 2.583 0.002 . 1 . . 480 A A 122 TRP HB2 . 34719 1
395 . 1 . 1 44 44 TRP HD1 H 1 6.697 0.001 . 1 . . 617 A A 122 TRP HD1 . 34719 1
396 . 1 . 1 44 44 TRP HE1 H 1 8.478 0.01 . 1 . . 108 A A 122 TRP HE1 . 34719 1
397 . 1 . 1 44 44 TRP HZ2 H 1 6.942 0.005 . 1 . . 635 A A 122 TRP HZ2 . 34719 1
398 . 1 . 1 44 44 TRP C C 13 176.728 0.001 . 1 . . 356 A A 122 TRP C . 34719 1
399 . 1 . 1 44 44 TRP CA C 13 59.979 0.033 . 1 . . 354 A A 122 TRP CA . 34719 1
400 . 1 . 1 44 44 TRP CB C 13 27.857 0.068 . 1 . . 355 A A 122 TRP CB . 34719 1
401 . 1 . 1 44 44 TRP CD1 C 13 124.621 . . 1 . . 620 A A 122 TRP CD1 . 34719 1
402 . 1 . 1 44 44 TRP CZ2 C 13 112.892 . . 1 . . 636 A A 122 TRP CZ2 . 34719 1
403 . 1 . 1 44 44 TRP N N 15 122.141 0.121 . 1 . . 158 A A 122 TRP N . 34719 1
404 . 1 . 1 44 44 TRP NE1 N 15 122.702 0.243 . 1 . . 109 A A 122 TRP NE1 . 34719 1
405 . 1 . 1 45 45 LEU H H 1 8.354 0.008 . 1 . . 116 A A 123 LEU H . 34719 1
406 . 1 . 1 45 45 LEU HA H 1 3.338 0.003 . 1 . . 481 A A 123 LEU HA . 34719 1
407 . 1 . 1 45 45 LEU HB2 H 1 1.132 0.004 . 1 . . 483 A A 123 LEU HB2 . 34719 1
408 . 1 . 1 45 45 LEU HB3 H 1 1.778 0.01 . 1 . . 482 A A 123 LEU HB3 . 34719 1
409 . 1 . 1 45 45 LEU HG H 1 1.826 0.001 . 1 . . 485 A A 123 LEU HG . 34719 1
410 . 1 . 1 45 45 LEU HD11 H 1 0.889 0.01 . 1 . . 484 A A 123 LEU HD11 . 34719 1
411 . 1 . 1 45 45 LEU HD12 H 1 0.889 0.01 . 1 . . 484 A A 123 LEU HD12 . 34719 1
412 . 1 . 1 45 45 LEU HD13 H 1 0.889 0.01 . 1 . . 484 A A 123 LEU HD13 . 34719 1
413 . 1 . 1 45 45 LEU C C 13 180.985 0.006 . 1 . . 311 A A 123 LEU C . 34719 1
414 . 1 . 1 45 45 LEU CA C 13 57.917 0.022 . 1 . . 309 A A 123 LEU CA . 34719 1
415 . 1 . 1 45 45 LEU CB C 13 40.624 0.025 . 1 . . 310 A A 123 LEU CB . 34719 1
416 . 1 . 1 45 45 LEU CG C 13 26.142 0.149 . 1 . . 679 A A 123 LEU CG . 34719 1
417 . 1 . 1 45 45 LEU CD1 C 13 22.214 0.019 . 1 . . 719 A A 123 LEU CD1 . 34719 1
418 . 1 . 1 45 45 LEU N N 15 117.866 0.068 . 1 . . 117 A A 123 LEU N . 34719 1
419 . 1 . 1 46 46 ASP H H 1 8.280 0.013 . 1 . . 82 A A 124 ASP H . 34719 1
420 . 1 . 1 46 46 ASP HA H 1 4.284 0.004 . 1 . . 486 A A 124 ASP HA . 34719 1
421 . 1 . 1 46 46 ASP HB2 H 1 2.639 0.004 . 1 . . 487 A A 124 ASP HB2 . 34719 1
422 . 1 . 1 46 46 ASP C C 13 178.358 0.0 . 1 . . 281 A A 124 ASP C . 34719 1
423 . 1 . 1 46 46 ASP CA C 13 57.324 0.066 . 1 . . 279 A A 124 ASP CA . 34719 1
424 . 1 . 1 46 46 ASP CB C 13 41.437 0.104 . 1 . . 280 A A 124 ASP CB . 34719 1
425 . 1 . 1 46 46 ASP N N 15 121.665 0.101 . 1 . . 83 A A 124 ASP N . 34719 1
426 . 1 . 1 47 47 ALA H H 1 7.753 0.007 . 1 . . 53 A A 125 ALA H . 34719 1
427 . 1 . 1 47 47 ALA HA H 1 3.921 . . 1 . . 488 A A 125 ALA HA . 34719 1
428 . 1 . 1 47 47 ALA HB1 H 1 1.448 . . 1 . . 489 A A 125 ALA HB1 . 34719 1
429 . 1 . 1 47 47 ALA HB2 H 1 1.448 . . 1 . . 489 A A 125 ALA HB2 . 34719 1
430 . 1 . 1 47 47 ALA HB3 H 1 1.448 . . 1 . . 489 A A 125 ALA HB3 . 34719 1
431 . 1 . 1 47 47 ALA C C 13 181.686 0.001 . 1 . . 250 A A 125 ALA C . 34719 1
432 . 1 . 1 47 47 ALA CA C 13 55.198 0.003 . 1 . . 248 A A 125 ALA CA . 34719 1
433 . 1 . 1 47 47 ALA CB C 13 17.681 0.003 . 1 . . 249 A A 125 ALA CB . 34719 1
434 . 1 . 1 47 47 ALA N N 15 123.146 0.087 . 1 . . 54 A A 125 ALA N . 34719 1
435 . 1 . 1 48 48 LEU H H 1 8.248 0.009 . 1 . . 80 A A 126 LEU H . 34719 1
436 . 1 . 1 48 48 LEU HA H 1 3.689 0.023 . 1 . . 490 A A 126 LEU HA . 34719 1
437 . 1 . 1 48 48 LEU HB2 H 1 1.108 0.003 . 1 . . 492 A A 126 LEU HB2 . 34719 1
438 . 1 . 1 48 48 LEU HB3 H 1 1.416 0.0 . 1 . . 491 A A 126 LEU HB3 . 34719 1
439 . 1 . 1 48 48 LEU HD11 H 1 -0.219 0.005 . 1 . . 714 A A 126 LEU HD11 . 34719 1
440 . 1 . 1 48 48 LEU HD12 H 1 -0.219 0.005 . 1 . . 714 A A 126 LEU HD12 . 34719 1
441 . 1 . 1 48 48 LEU HD13 H 1 -0.219 0.005 . 1 . . 714 A A 126 LEU HD13 . 34719 1
442 . 1 . 1 48 48 LEU HD21 H 1 0.378 0.004 . 1 . . 713 A A 126 LEU HD21 . 34719 1
443 . 1 . 1 48 48 LEU HD22 H 1 0.378 0.004 . 1 . . 713 A A 126 LEU HD22 . 34719 1
444 . 1 . 1 48 48 LEU HD23 H 1 0.378 0.004 . 1 . . 713 A A 126 LEU HD23 . 34719 1
445 . 1 . 1 48 48 LEU C C 13 179.584 0.003 . 1 . . 278 A A 126 LEU C . 34719 1
446 . 1 . 1 48 48 LEU CA C 13 57.505 0.08 . 1 . . 276 A A 126 LEU CA . 34719 1
447 . 1 . 1 48 48 LEU CB C 13 39.606 0.019 . 1 . . 277 A A 126 LEU CB . 34719 1
448 . 1 . 1 48 48 LEU CG C 13 25.449 . . 1 . . 680 A A 126 LEU CG . 34719 1
449 . 1 . 1 48 48 LEU CD1 C 13 25.332 0.119 . 1 . . 681 A A 126 LEU CD1 . 34719 1
450 . 1 . 1 48 48 LEU CD2 C 13 23.018 0.061 . 1 . . 712 A A 126 LEU CD2 . 34719 1
451 . 1 . 1 48 48 LEU N N 15 118.450 0.055 . 1 . . 81 A A 126 LEU N . 34719 1
452 . 1 . 1 49 49 GLY H H 1 8.157 0.016 . 1 . . 11 A A 127 GLY H . 34719 1
453 . 1 . 1 49 49 GLY HA2 H 1 3.806 0.007 . 2 . . 493 A A 127 GLY HA2 . 34719 1
454 . 1 . 1 49 49 GLY HA3 H 1 3.880 0.015 . 2 . . 494 A A 127 GLY HA3 . 34719 1
455 . 1 . 1 49 49 GLY C C 13 178.621 0.007 . 1 . . 212 A A 127 GLY C . 34719 1
456 . 1 . 1 49 49 GLY CA C 13 47.088 0.021 . 1 . . 211 A A 127 GLY CA . 34719 1
457 . 1 . 1 49 49 GLY N N 15 109.854 0.142 . 1 . . 12 A A 127 GLY N . 34719 1
458 . 1 . 1 50 50 GLN H H 1 7.849 0.009 . 1 . . 47 A A 128 GLN H . 34719 1
459 . 1 . 1 50 50 GLN HA H 1 4.063 0.013 . 1 . . 495 A A 128 GLN HA . 34719 1
460 . 1 . 1 50 50 GLN HB2 H 1 2.173 . . 2 . . 496 A A 128 GLN HB2 . 34719 1
461 . 1 . 1 50 50 GLN HB3 H 1 2.021 . . 2 . . 497 A A 128 GLN HB3 . 34719 1
462 . 1 . 1 50 50 GLN HG2 H 1 2.400 . . 2 . . 498 A A 128 GLN HG2 . 34719 1
463 . 1 . 1 50 50 GLN HG3 H 1 2.418 . . 2 . . 499 A A 128 GLN HG3 . 34719 1
464 . 1 . 1 50 50 GLN HE21 H 1 7.553 0.006 . 1 . . 21 A A 128 GLN HE21 . 34719 1
465 . 1 . 1 50 50 GLN HE22 H 1 6.894 0.006 . 1 . . 69 A A 128 GLN HE22 . 34719 1
466 . 1 . 1 50 50 GLN C C 13 176.762 0.005 . 1 . . 241 A A 128 GLN C . 34719 1
467 . 1 . 1 50 50 GLN CA C 13 57.798 0.17 . 1 . . 239 A A 128 GLN CA . 34719 1
468 . 1 . 1 50 50 GLN CB C 13 28.236 0.015 . 1 . . 240 A A 128 GLN CB . 34719 1
469 . 1 . 1 50 50 GLN CG C 13 34.078 . . 1 . . 682 A A 128 GLN CG . 34719 1
470 . 1 . 1 50 50 GLN N N 15 121.676 0.058 . 1 . . 48 A A 128 GLN N . 34719 1
471 . 1 . 1 50 50 GLN NE2 N 15 112.437 0.241 . 1 . . 22 A A 128 GLN NE2 . 34719 1
472 . 1 . 1 51 51 ALA H H 1 7.288 0.009 . 1 . . 148 A A 129 ALA H . 34719 1
473 . 1 . 1 51 51 ALA HA H 1 4.458 0.001 . 1 . . 500 A A 129 ALA HA . 34719 1
474 . 1 . 1 51 51 ALA HB1 H 1 1.396 0.002 . 1 . . 501 A A 129 ALA HB1 . 34719 1
475 . 1 . 1 51 51 ALA HB2 H 1 1.396 0.002 . 1 . . 501 A A 129 ALA HB2 . 34719 1
476 . 1 . 1 51 51 ALA HB3 H 1 1.396 0.002 . 1 . . 501 A A 129 ALA HB3 . 34719 1
477 . 1 . 1 51 51 ALA C C 13 176.946 . . 1 . . 344 A A 129 ALA C . 34719 1
478 . 1 . 1 51 51 ALA CA C 13 51.289 0.036 . 1 . . 343 A A 129 ALA CA . 34719 1
479 . 1 . 1 51 51 ALA CB C 13 18.893 0.019 . 1 . . 639 A A 129 ALA CB . 34719 1
480 . 1 . 1 51 51 ALA N N 15 120.583 0.093 . 1 . . 149 A A 129 ALA N . 34719 1
481 . 1 . 1 52 52 GLY H H 1 7.577 0.007 . 1 . . 112 A A 130 GLY H . 34719 1
482 . 1 . 1 52 52 GLY HA2 H 1 4.226 0.001 . 2 . . 502 A A 130 GLY HA2 . 34719 1
483 . 1 . 1 52 52 GLY HA3 H 1 3.692 0.006 . 2 . . 503 A A 130 GLY HA3 . 34719 1
484 . 1 . 1 52 52 GLY C C 13 173.981 0.013 . 1 . . 199 A A 130 GLY C . 34719 1
485 . 1 . 1 52 52 GLY CA C 13 45.694 0.016 . 1 . . 200 A A 130 GLY CA . 34719 1
486 . 1 . 1 52 52 GLY N N 15 105.694 0.103 . 1 . . 113 A A 130 GLY N . 34719 1
487 . 1 . 1 53 53 MET H H 1 8.089 0.009 . 1 . . 130 A A 131 MET H . 34719 1
488 . 1 . 1 53 53 MET HA H 1 4.990 0.005 . 1 . . 504 A A 131 MET HA . 34719 1
489 . 1 . 1 53 53 MET HB2 H 1 1.684 . . 2 . . 505 A A 131 MET HB2 . 34719 1
490 . 1 . 1 53 53 MET HB3 H 1 1.455 . . 2 . . 506 A A 131 MET HB3 . 34719 1
491 . 1 . 1 53 53 MET HG2 H 1 2.191 . . 1 . . 507 A A 131 MET HG2 . 34719 1
492 . 1 . 1 53 53 MET C C 13 174.611 0.006 . 1 . . 198 A A 131 MET C . 34719 1
493 . 1 . 1 53 53 MET CA C 13 53.813 0.019 . 1 . . 197 A A 131 MET CA . 34719 1
494 . 1 . 1 53 53 MET CB C 13 33.811 0.035 . 1 . . 196 A A 131 MET CB . 34719 1
495 . 1 . 1 53 53 MET CG C 13 32.552 . . 1 . . 683 A A 131 MET CG . 34719 1
496 . 1 . 1 53 53 MET N N 15 120.931 0.052 . 1 . . 131 A A 131 MET N . 34719 1
497 . 1 . 1 54 54 THR H H 1 8.375 0.019 . 1 . . 17 A A 132 THR H . 34719 1
498 . 1 . 1 54 54 THR HA H 1 4.193 0.003 . 1 . . 508 A A 132 THR HA . 34719 1
499 . 1 . 1 54 54 THR HB H 1 4.022 0.002 . 1 . . 509 A A 132 THR HB . 34719 1
500 . 1 . 1 54 54 THR HG21 H 1 1.018 0.009 . 1 . . 510 A A 132 THR HG21 . 34719 1
501 . 1 . 1 54 54 THR HG22 H 1 1.018 0.009 . 1 . . 510 A A 132 THR HG22 . 34719 1
502 . 1 . 1 54 54 THR HG23 H 1 1.018 0.009 . 1 . . 510 A A 132 THR HG23 . 34719 1
503 . 1 . 1 54 54 THR C C 13 174.272 0.006 . 1 . . 193 A A 132 THR C . 34719 1
504 . 1 . 1 54 54 THR CA C 13 60.836 0.008 . 1 . . 194 A A 132 THR CA . 34719 1
505 . 1 . 1 54 54 THR CB C 13 70.537 0.019 . 1 . . 195 A A 132 THR CB . 34719 1
506 . 1 . 1 54 54 THR CG2 C 13 21.843 0.072 . 1 . . 684 A A 132 THR CG2 . 34719 1
507 . 1 . 1 54 54 THR N N 15 115.617 0.135 . 1 . . 18 A A 132 THR N . 34719 1
508 . 1 . 1 55 55 THR H H 1 8.452 0.014 . 1 . . 104 A A 133 THR H . 34719 1
509 . 1 . 1 55 55 THR HA H 1 3.838 . . 1 . . 511 A A 133 THR HA . 34719 1
510 . 1 . 1 55 55 THR HB H 1 3.357 0.002 . 1 . . 512 A A 133 THR HB . 34719 1
511 . 1 . 1 55 55 THR HG21 H 1 0.622 0.005 . 1 . . 513 A A 133 THR HG21 . 34719 1
512 . 1 . 1 55 55 THR HG22 H 1 0.622 0.005 . 1 . . 513 A A 133 THR HG22 . 34719 1
513 . 1 . 1 55 55 THR HG23 H 1 0.622 0.005 . 1 . . 513 A A 133 THR HG23 . 34719 1
514 . 1 . 1 55 55 THR C C 13 173.188 0.009 . 1 . . 190 A A 133 THR C . 34719 1
515 . 1 . 1 55 55 THR CA C 13 64.455 0.05 . 1 . . 191 A A 133 THR CA . 34719 1
516 . 1 . 1 55 55 THR CB C 13 68.104 0.042 . 1 . . 192 A A 133 THR CB . 34719 1
517 . 1 . 1 55 55 THR CG2 C 13 21.427 0.007 . 1 . . 685 A A 133 THR CG2 . 34719 1
518 . 1 . 1 55 55 THR N N 15 120.337 0.16 . 1 . . 105 A A 133 THR N . 34719 1
519 . 1 . 1 56 56 ALA H H 1 8.900 0.044 . 1 . . 106 A A 134 ALA H . 34719 1
520 . 1 . 1 56 56 ALA HA H 1 4.286 0.001 . 1 . . 514 A A 134 ALA HA . 34719 1
521 . 1 . 1 56 56 ALA HB1 H 1 1.143 0.001 . 1 . . 515 A A 134 ALA HB1 . 34719 1
522 . 1 . 1 56 56 ALA HB2 H 1 1.143 0.001 . 1 . . 515 A A 134 ALA HB2 . 34719 1
523 . 1 . 1 56 56 ALA HB3 H 1 1.143 0.001 . 1 . . 515 A A 134 ALA HB3 . 34719 1
524 . 1 . 1 56 56 ALA C C 13 178.771 0.009 . 1 . . 305 A A 134 ALA C . 34719 1
525 . 1 . 1 56 56 ALA CA C 13 53.385 0.034 . 1 . . 303 A A 134 ALA CA . 34719 1
526 . 1 . 1 56 56 ALA CB C 13 18.972 0.015 . 1 . . 304 A A 134 ALA CB . 34719 1
527 . 1 . 1 56 56 ALA N N 15 132.916 0.097 . 1 . . 107 A A 134 ALA N . 34719 1
528 . 1 . 1 57 57 THR H H 1 7.792 0.008 . 1 . . 37 A A 135 THR H . 34719 1
529 . 1 . 1 57 57 THR HA H 1 4.769 0.005 . 1 . . 516 A A 135 THR HA . 34719 1
530 . 1 . 1 57 57 THR HB H 1 3.771 0.005 . 1 . . 517 A A 135 THR HB . 34719 1
531 . 1 . 1 57 57 THR HG21 H 1 1.143 . . 1 . . 518 A A 135 THR HG21 . 34719 1
532 . 1 . 1 57 57 THR HG22 H 1 1.143 . . 1 . . 518 A A 135 THR HG22 . 34719 1
533 . 1 . 1 57 57 THR HG23 H 1 1.143 . . 1 . . 518 A A 135 THR HG23 . 34719 1
534 . 1 . 1 57 57 THR C C 13 171.452 0.004 . 1 . . 232 A A 135 THR C . 34719 1
535 . 1 . 1 57 57 THR CA C 13 62.052 0.017 . 1 . . 230 A A 135 THR CA . 34719 1
536 . 1 . 1 57 57 THR CB C 13 72.028 0.038 . 1 . . 231 A A 135 THR CB . 34719 1
537 . 1 . 1 57 57 THR CG2 C 13 22.473 . . 1 . . 686 A A 135 THR CG2 . 34719 1
538 . 1 . 1 57 57 THR N N 15 112.411 0.038 . 1 . . 38 A A 135 THR N . 34719 1
539 . 1 . 1 58 58 LEU H H 1 8.138 0.08 . 1 . . 59 A A 136 LEU H . 34719 1
540 . 1 . 1 58 58 LEU HA H 1 5.058 0.001 . 1 . . 519 A A 136 LEU HA . 34719 1
541 . 1 . 1 58 58 LEU HB2 H 1 1.462 . . 1 . . 520 A A 136 LEU HB2 . 34719 1
542 . 1 . 1 58 58 LEU HG H 1 1.413 . . 1 . . 522 A A 136 LEU HG . 34719 1
543 . 1 . 1 58 58 LEU HD11 H 1 0.884 . . 1 . . 521 A A 136 LEU HD11 . 34719 1
544 . 1 . 1 58 58 LEU HD12 H 1 0.884 . . 1 . . 521 A A 136 LEU HD12 . 34719 1
545 . 1 . 1 58 58 LEU HD13 H 1 0.884 . . 1 . . 521 A A 136 LEU HD13 . 34719 1
546 . 1 . 1 58 58 LEU C C 13 173.808 0.017 . 1 . . 363 A A 136 LEU C . 34719 1
547 . 1 . 1 58 58 LEU CA C 13 54.278 0.009 . 1 . . 257 A A 136 LEU CA . 34719 1
548 . 1 . 1 58 58 LEU CB C 13 45.536 0.033 . 1 . . 258 A A 136 LEU CB . 34719 1
549 . 1 . 1 58 58 LEU N N 15 126.193 0.424 . 1 . . 60 A A 136 LEU N . 34719 1
550 . 1 . 1 59 59 ALA H H 1 9.064 0.019 . 1 . . 25 A A 137 ALA H . 34719 1
551 . 1 . 1 59 59 ALA HA H 1 5.720 0.004 . 1 . . 523 A A 137 ALA HA . 34719 1
552 . 1 . 1 59 59 ALA HB1 H 1 1.455 0.003 . 1 . . 524 A A 137 ALA HB1 . 34719 1
553 . 1 . 1 59 59 ALA HB2 H 1 1.455 0.003 . 1 . . 524 A A 137 ALA HB2 . 34719 1
554 . 1 . 1 59 59 ALA HB3 H 1 1.455 0.003 . 1 . . 524 A A 137 ALA HB3 . 34719 1
555 . 1 . 1 59 59 ALA C C 13 176.583 0.001 . 1 . . 221 A A 137 ALA C . 34719 1
556 . 1 . 1 59 59 ALA CA C 13 51.765 0.022 . 1 . . 219 A A 137 ALA CA . 34719 1
557 . 1 . 1 59 59 ALA CB C 13 21.346 0.01 . 1 . . 220 A A 137 ALA CB . 34719 1
558 . 1 . 1 59 59 ALA N N 15 130.030 0.052 . 1 . . 26 A A 137 ALA N . 34719 1
559 . 1 . 1 60 60 VAL H H 1 9.212 0.012 . 1 . . 94 A A 138 VAL H . 34719 1
560 . 1 . 1 60 60 VAL HA H 1 5.569 0.003 . 1 . . 525 A A 138 VAL HA . 34719 1
561 . 1 . 1 60 60 VAL HB H 1 2.055 0.011 . 1 . . 526 A A 138 VAL HB . 34719 1
562 . 1 . 1 60 60 VAL HG11 H 1 0.712 0.013 . 1 . . 528 A A 138 VAL HG11 . 34719 1
563 . 1 . 1 60 60 VAL HG12 H 1 0.712 0.013 . 1 . . 528 A A 138 VAL HG12 . 34719 1
564 . 1 . 1 60 60 VAL HG13 H 1 0.712 0.013 . 1 . . 528 A A 138 VAL HG13 . 34719 1
565 . 1 . 1 60 60 VAL HG21 H 1 0.956 0.009 . 1 . . 527 A A 138 VAL HG21 . 34719 1
566 . 1 . 1 60 60 VAL HG22 H 1 0.956 0.009 . 1 . . 527 A A 138 VAL HG22 . 34719 1
567 . 1 . 1 60 60 VAL HG23 H 1 0.956 0.009 . 1 . . 527 A A 138 VAL HG23 . 34719 1
568 . 1 . 1 60 60 VAL C C 13 175.185 0.006 . 1 . . 293 A A 138 VAL C . 34719 1
569 . 1 . 1 60 60 VAL CA C 13 58.438 0.026 . 1 . . 291 A A 138 VAL CA . 34719 1
570 . 1 . 1 60 60 VAL CB C 13 35.643 0.007 . 1 . . 292 A A 138 VAL CB . 34719 1
571 . 1 . 1 60 60 VAL CG1 C 13 19.354 0.034 . 1 . . 688 A A 138 VAL CG1 . 34719 1
572 . 1 . 1 60 60 VAL CG2 C 13 22.610 0.023 . 1 . . 687 A A 138 VAL CG2 . 34719 1
573 . 1 . 1 60 60 VAL N N 15 114.851 0.041 . 1 . . 95 A A 138 VAL N . 34719 1
574 . 1 . 1 61 61 THR H H 1 8.358 0.003 . 1 . . 159 A A 139 THR H . 34719 1
575 . 1 . 1 61 61 THR HA H 1 4.924 0.001 . 1 . . 529 A A 139 THR HA . 34719 1
576 . 1 . 1 61 61 THR HB H 1 3.931 0.002 . 1 . . 530 A A 139 THR HB . 34719 1
577 . 1 . 1 61 61 THR HG21 H 1 0.744 . . 1 . . 531 A A 139 THR HG21 . 34719 1
578 . 1 . 1 61 61 THR HG22 H 1 0.744 . . 1 . . 531 A A 139 THR HG22 . 34719 1
579 . 1 . 1 61 61 THR HG23 H 1 0.744 . . 1 . . 531 A A 139 THR HG23 . 34719 1
580 . 1 . 1 61 61 THR C C 13 173.365 0.001 . 1 . . 359 A A 139 THR C . 34719 1
581 . 1 . 1 61 61 THR CA C 13 60.833 0.035 . 1 . . 358 A A 139 THR CA . 34719 1
582 . 1 . 1 61 61 THR CB C 13 72.408 0.013 . 1 . . 357 A A 139 THR CB . 34719 1
583 . 1 . 1 61 61 THR CG2 C 13 21.606 . . 1 . . 689 A A 139 THR CG2 . 34719 1
584 . 1 . 1 61 61 THR N N 15 115.654 0.036 . 1 . . 160 A A 139 THR N . 34719 1
585 . 1 . 1 62 62 ALA H H 1 8.749 0.016 . 1 . . 67 A A 140 ALA H . 34719 1
586 . 1 . 1 62 62 ALA HA H 1 4.492 0.003 . 1 . . 532 A A 140 ALA HA . 34719 1
587 . 1 . 1 62 62 ALA HB1 H 1 1.521 . . 1 . . 533 A A 140 ALA HB1 . 34719 1
588 . 1 . 1 62 62 ALA HB2 H 1 1.521 . . 1 . . 533 A A 140 ALA HB2 . 34719 1
589 . 1 . 1 62 62 ALA HB3 H 1 1.521 . . 1 . . 533 A A 140 ALA HB3 . 34719 1
590 . 1 . 1 62 62 ALA C C 13 178.450 0.0 . 1 . . 264 A A 140 ALA C . 34719 1
591 . 1 . 1 62 62 ALA CA C 13 53.474 0.017 . 1 . . 262 A A 140 ALA CA . 34719 1
592 . 1 . 1 62 62 ALA CB C 13 19.275 0.009 . 1 . . 263 A A 140 ALA CB . 34719 1
593 . 1 . 1 62 62 ALA N N 15 127.785 0.16 . 1 . . 68 A A 140 ALA N . 34719 1
594 . 1 . 1 63 63 VAL H H 1 8.089 0.017 . 1 . . 144 A A 141 VAL H . 34719 1
595 . 1 . 1 63 63 VAL HA H 1 3.897 0.003 . 1 . . 534 A A 141 VAL HA . 34719 1
596 . 1 . 1 63 63 VAL HB H 1 2.037 0.006 . 1 . . 535 A A 141 VAL HB . 34719 1
597 . 1 . 1 63 63 VAL HG11 H 1 0.850 0.024 . 1 . . 536 A A 141 VAL HG11 . 34719 1
598 . 1 . 1 63 63 VAL HG12 H 1 0.850 0.024 . 1 . . 536 A A 141 VAL HG12 . 34719 1
599 . 1 . 1 63 63 VAL HG13 H 1 0.850 0.024 . 1 . . 536 A A 141 VAL HG13 . 34719 1
600 . 1 . 1 63 63 VAL C C 13 176.578 0.002 . 1 . . 342 A A 141 VAL C . 34719 1
601 . 1 . 1 63 63 VAL CA C 13 62.303 0.034 . 1 . . 340 A A 141 VAL CA . 34719 1
602 . 1 . 1 63 63 VAL CB C 13 31.771 0.01 . 1 . . 341 A A 141 VAL CB . 34719 1
603 . 1 . 1 63 63 VAL CG1 C 13 21.896 0.013 . 1 . . 690 A A 141 VAL CG1 . 34719 1
604 . 1 . 1 63 63 VAL N N 15 124.216 0.048 . 1 . . 145 A A 141 VAL N . 34719 1
605 . 1 . 1 64 64 ALA H H 1 8.676 0.009 . 1 . . 136 A A 142 ALA H . 34719 1
606 . 1 . 1 64 64 ALA HA H 1 3.936 . . 1 . . 537 A A 142 ALA HA . 34719 1
607 . 1 . 1 64 64 ALA HB1 H 1 1.312 0.003 . 1 . . 538 A A 142 ALA HB1 . 34719 1
608 . 1 . 1 64 64 ALA HB2 H 1 1.312 0.003 . 1 . . 538 A A 142 ALA HB2 . 34719 1
609 . 1 . 1 64 64 ALA HB3 H 1 1.312 0.003 . 1 . . 538 A A 142 ALA HB3 . 34719 1
610 . 1 . 1 64 64 ALA C C 13 178.439 0.001 . 1 . . 334 A A 142 ALA C . 34719 1
611 . 1 . 1 64 64 ALA CA C 13 54.769 0.063 . 1 . . 332 A A 142 ALA CA . 34719 1
612 . 1 . 1 64 64 ALA CB C 13 18.085 0.008 . 1 . . 333 A A 142 ALA CB . 34719 1
613 . 1 . 1 64 64 ALA N N 15 132.971 0.113 . 1 . . 137 A A 142 ALA N . 34719 1
614 . 1 . 1 65 65 GLN H H 1 8.401 0.021 . 1 . . 63 A A 143 GLN H . 34719 1
615 . 1 . 1 65 65 GLN HA H 1 3.997 0.0 . 1 . . 539 A A 143 GLN HA . 34719 1
616 . 1 . 1 65 65 GLN HB2 H 1 2.156 . . 2 . . 540 A A 143 GLN HB2 . 34719 1
617 . 1 . 1 65 65 GLN HB3 H 1 2.012 . . 2 . . 541 A A 143 GLN HB3 . 34719 1
618 . 1 . 1 65 65 GLN HG2 H 1 2.230 . . 1 . . 542 A A 143 GLN HG2 . 34719 1
619 . 1 . 1 65 65 GLN HE21 H 1 7.449 0.006 . 1 . . 31 A A 143 GLN HE21 . 34719 1
620 . 1 . 1 65 65 GLN HE22 H 1 6.779 0.018 . 1 . . 156 A A 143 GLN HE22 . 34719 1
621 . 1 . 1 65 65 GLN C C 13 174.986 0.009 . 1 . . 261 A A 143 GLN C . 34719 1
622 . 1 . 1 65 65 GLN CA C 13 56.795 0.027 . 1 . . 259 A A 143 GLN CA . 34719 1
623 . 1 . 1 65 65 GLN CB C 13 27.681 0.012 . 1 . . 260 A A 143 GLN CB . 34719 1
624 . 1 . 1 65 65 GLN CG C 13 34.488 . . 1 . . 691 A A 143 GLN CG . 34719 1
625 . 1 . 1 65 65 GLN N N 15 112.263 0.067 . 1 . . 64 A A 143 GLN N . 34719 1
626 . 1 . 1 65 65 GLN NE2 N 15 112.141 0.238 . 1 . . 32 A A 143 GLN NE2 . 34719 1
627 . 1 . 1 66 66 GLN H H 1 7.374 0.016 . 1 . . 86 A A 144 GLN H . 34719 1
628 . 1 . 1 66 66 GLN C C 13 170.599 . . 1 . . 287 A A 144 GLN C . 34719 1
629 . 1 . 1 66 66 GLN CA C 13 52.962 . . 1 . . 285 A A 144 GLN CA . 34719 1
630 . 1 . 1 66 66 GLN CB C 13 29.722 . . 1 . . 286 A A 144 GLN CB . 34719 1
631 . 1 . 1 66 66 GLN N N 15 119.106 0.045 . 1 . . 87 A A 144 GLN N . 34719 1
632 . 1 . 1 67 67 PRO HA H 1 4.349 0.005 . 1 . . 543 A A 145 PRO HA . 34719 1
633 . 1 . 1 67 67 PRO HB2 H 1 2.241 . . 2 . . 544 A A 145 PRO HB2 . 34719 1
634 . 1 . 1 67 67 PRO HB3 H 1 1.860 . . 2 . . 545 A A 145 PRO HB3 . 34719 1
635 . 1 . 1 67 67 PRO HG2 H 1 1.960 . . 1 . . 546 A A 145 PRO HG2 . 34719 1
636 . 1 . 1 67 67 PRO HD2 H 1 3.634 0.036 . 1 . . 547 A A 145 PRO HD2 . 34719 1
637 . 1 . 1 67 67 PRO C C 13 178.192 . . 1 . . 609 A A 145 PRO C . 34719 1
638 . 1 . 1 67 67 PRO CA C 13 64.316 0.024 . 1 . . 610 A A 145 PRO CA . 34719 1
639 . 1 . 1 67 67 PRO CB C 13 31.678 . . 1 . . 611 A A 145 PRO CB . 34719 1
640 . 1 . 1 67 67 PRO CG C 13 27.532 . . 1 . . 692 A A 145 PRO CG . 34719 1
641 . 1 . 1 67 67 PRO CD C 13 50.171 0.182 . 1 . . 693 A A 145 PRO CD . 34719 1
642 . 1 . 1 68 68 GLY H H 1 8.704 0.015 . 1 . . 92 A A 146 GLY H . 34719 1
643 . 1 . 1 68 68 GLY HA2 H 1 4.547 0.003 . 2 . . 548 A A 146 GLY HA2 . 34719 1
644 . 1 . 1 68 68 GLY HA3 H 1 3.776 0.001 . 2 . . 549 A A 146 GLY HA3 . 34719 1
645 . 1 . 1 68 68 GLY C C 13 174.062 0.006 . 1 . . 174 A A 146 GLY C . 34719 1
646 . 1 . 1 68 68 GLY CA C 13 45.522 0.02 . 1 . . 173 A A 146 GLY CA . 34719 1
647 . 1 . 1 68 68 GLY N N 15 112.857 0.085 . 1 . . 93 A A 146 GLY N . 34719 1
648 . 1 . 1 69 69 TRP H H 1 8.668 0.007 . 1 . . 29 A A 147 TRP H . 34719 1
649 . 1 . 1 69 69 TRP HA H 1 5.306 0.002 . 1 . . 550 A A 147 TRP HA . 34719 1
650 . 1 . 1 69 69 TRP HB2 H 1 3.364 0.014 . 2 . . 551 A A 147 TRP HB2 . 34719 1
651 . 1 . 1 69 69 TRP HB3 H 1 2.868 0.003 . 2 . . 552 A A 147 TRP HB3 . 34719 1
652 . 1 . 1 69 69 TRP HD1 H 1 7.095 0.002 . 1 . . 618 A A 147 TRP HD1 . 34719 1
653 . 1 . 1 69 69 TRP HE1 H 1 10.073 0.004 . 1 . . 110 A A 147 TRP HE1 . 34719 1
654 . 1 . 1 69 69 TRP HE3 H 1 7.088 0.004 . 1 . . 633 A A 147 TRP HE3 . 34719 1
655 . 1 . 1 69 69 TRP HZ2 H 1 7.442 0.007 . 1 . . 625 A A 147 TRP HZ2 . 34719 1
656 . 1 . 1 69 69 TRP HZ3 H 1 7.013 0.005 . 1 . . 629 A A 147 TRP HZ3 . 34719 1
657 . 1 . 1 69 69 TRP HH2 H 1 7.155 0.006 . 1 . . 627 A A 147 TRP HH2 . 34719 1
658 . 1 . 1 69 69 TRP C C 13 177.311 0.007 . 1 . . 171 A A 147 TRP C . 34719 1
659 . 1 . 1 69 69 TRP CA C 13 57.023 0.002 . 1 . . 170 A A 147 TRP CA . 34719 1
660 . 1 . 1 69 69 TRP CB C 13 29.586 0.079 . 1 . . 172 A A 147 TRP CB . 34719 1
661 . 1 . 1 69 69 TRP CD1 C 13 125.142 . . 1 . . 624 A A 147 TRP CD1 . 34719 1
662 . 1 . 1 69 69 TRP CE3 C 13 119.805 . . 1 . . 634 A A 147 TRP CE3 . 34719 1
663 . 1 . 1 69 69 TRP CZ2 C 13 114.289 . . 1 . . 626 A A 147 TRP CZ2 . 34719 1
664 . 1 . 1 69 69 TRP CZ3 C 13 122.063 . . 1 . . 630 A A 147 TRP CZ3 . 34719 1
665 . 1 . 1 69 69 TRP CH2 C 13 124.106 . . 1 . . 628 A A 147 TRP CH2 . 34719 1
666 . 1 . 1 69 69 TRP N N 15 122.324 0.033 . 1 . . 30 A A 147 TRP N . 34719 1
667 . 1 . 1 69 69 TRP NE1 N 15 129.503 0.045 . 1 . . 111 A A 147 TRP NE1 . 34719 1
668 . 1 . 1 70 70 VAL H H 1 9.353 0.024 . 1 . . 45 A A 148 VAL H . 34719 1
669 . 1 . 1 70 70 VAL HA H 1 5.098 0.004 . 1 . . 553 A A 148 VAL HA . 34719 1
670 . 1 . 1 70 70 VAL HB H 1 1.936 . . 1 . . 554 A A 148 VAL HB . 34719 1
671 . 1 . 1 70 70 VAL HG11 H 1 0.485 0.009 . 1 . . 556 A A 148 VAL HG11 . 34719 1
672 . 1 . 1 70 70 VAL HG12 H 1 0.485 0.009 . 1 . . 556 A A 148 VAL HG12 . 34719 1
673 . 1 . 1 70 70 VAL HG13 H 1 0.485 0.009 . 1 . . 556 A A 148 VAL HG13 . 34719 1
674 . 1 . 1 70 70 VAL HG21 H 1 0.721 0.013 . 1 . . 555 A A 148 VAL HG21 . 34719 1
675 . 1 . 1 70 70 VAL HG22 H 1 0.721 0.013 . 1 . . 555 A A 148 VAL HG22 . 34719 1
676 . 1 . 1 70 70 VAL HG23 H 1 0.721 0.013 . 1 . . 555 A A 148 VAL HG23 . 34719 1
677 . 1 . 1 70 70 VAL C C 13 174.511 0.001 . 1 . . 167 A A 148 VAL C . 34719 1
678 . 1 . 1 70 70 VAL CA C 13 58.917 0.029 . 1 . . 169 A A 148 VAL CA . 34719 1
679 . 1 . 1 70 70 VAL CB C 13 35.781 0.005 . 1 . . 168 A A 148 VAL CB . 34719 1
680 . 1 . 1 70 70 VAL CG1 C 13 21.316 0.017 . 1 . . 694 A A 148 VAL CG1 . 34719 1
681 . 1 . 1 70 70 VAL CG2 C 13 18.233 0.014 . 1 . . 695 A A 148 VAL CG2 . 34719 1
682 . 1 . 1 70 70 VAL N N 15 113.128 0.071 . 1 . . 46 A A 148 VAL N . 34719 1
683 . 1 . 1 71 71 THR H H 1 9.268 0.011 . 1 . . 3 A A 149 THR H . 34719 1
684 . 1 . 1 71 71 THR HA H 1 4.194 . . 1 . . 557 A A 149 THR HA . 34719 1
685 . 1 . 1 71 71 THR HB H 1 3.961 0.001 . 1 . . 558 A A 149 THR HB . 34719 1
686 . 1 . 1 71 71 THR HG21 H 1 1.101 0.01 . 1 . . 559 A A 149 THR HG21 . 34719 1
687 . 1 . 1 71 71 THR HG22 H 1 1.101 0.01 . 1 . . 559 A A 149 THR HG22 . 34719 1
688 . 1 . 1 71 71 THR HG23 H 1 1.101 0.01 . 1 . . 559 A A 149 THR HG23 . 34719 1
689 . 1 . 1 71 71 THR C C 13 174.420 0.001 . 1 . . 612 A A 149 THR C . 34719 1
690 . 1 . 1 71 71 THR CA C 13 61.839 0.062 . 1 . . 637 A A 149 THR CA . 34719 1
691 . 1 . 1 71 71 THR CB C 13 69.618 0.017 . 1 . . 638 A A 149 THR CB . 34719 1
692 . 1 . 1 71 71 THR CG2 C 13 22.288 0.035 . 1 . . 696 A A 149 THR CG2 . 34719 1
693 . 1 . 1 71 71 THR N N 15 117.051 0.07 . 1 . . 4 A A 149 THR N . 34719 1
694 . 1 . 1 72 72 VAL H H 1 9.633 0.006 . 1 . . 35 A A 150 VAL H . 34719 1
695 . 1 . 1 72 72 VAL HA H 1 4.169 . . 1 . . 560 A A 150 VAL HA . 34719 1
696 . 1 . 1 72 72 VAL HB H 1 2.145 0.002 . 1 . . 561 A A 150 VAL HB . 34719 1
697 . 1 . 1 72 72 VAL HG11 H 1 0.747 0.005 . 1 . . 562 A A 150 VAL HG11 . 34719 1
698 . 1 . 1 72 72 VAL HG12 H 1 0.747 0.005 . 1 . . 562 A A 150 VAL HG12 . 34719 1
699 . 1 . 1 72 72 VAL HG13 H 1 0.747 0.005 . 1 . . 562 A A 150 VAL HG13 . 34719 1
700 . 1 . 1 72 72 VAL C C 13 175.162 0.005 . 1 . . 229 A A 150 VAL C . 34719 1
701 . 1 . 1 72 72 VAL CA C 13 61.652 0.076 . 1 . . 613 A A 150 VAL CA . 34719 1
702 . 1 . 1 72 72 VAL CB C 13 30.374 0.026 . 1 . . 228 A A 150 VAL CB . 34719 1
703 . 1 . 1 72 72 VAL CG1 C 13 21.333 0.058 . 1 . . 697 A A 150 VAL CG1 . 34719 1
704 . 1 . 1 72 72 VAL CG2 C 13 22.501 . . 1 . . 698 A A 150 VAL CG2 . 34719 1
705 . 1 . 1 72 72 VAL N N 15 127.861 0.038 . 1 . . 36 A A 150 VAL N . 34719 1
706 . 1 . 1 73 73 ASN H H 1 8.767 0.016 . 1 . . 9 A A 151 ASN H . 34719 1
707 . 1 . 1 73 73 ASN HA H 1 4.506 0.002 . 1 . . 563 A A 151 ASN HA . 34719 1
708 . 1 . 1 73 73 ASN HB2 H 1 2.851 0.004 . 2 . . 564 A A 151 ASN HB2 . 34719 1
709 . 1 . 1 73 73 ASN HB3 H 1 2.366 0.004 . 2 . . 565 A A 151 ASN HB3 . 34719 1
710 . 1 . 1 73 73 ASN HD21 H 1 6.794 0.035 . 1 . . 78 A A 151 ASN HD21 . 34719 1
711 . 1 . 1 73 73 ASN HD22 H 1 7.515 0.005 . 1 . . 122 A A 151 ASN HD22 . 34719 1
712 . 1 . 1 73 73 ASN C C 13 176.428 0.002 . 1 . . 210 A A 151 ASN C . 34719 1
713 . 1 . 1 73 73 ASN CA C 13 56.475 0.007 . 1 . . 209 A A 151 ASN CA . 34719 1
714 . 1 . 1 73 73 ASN CB C 13 39.742 0.019 . 1 . . 208 A A 151 ASN CB . 34719 1
715 . 1 . 1 73 73 ASN N N 15 127.534 0.051 . 1 . . 10 A A 151 ASN N . 34719 1
716 . 1 . 1 73 73 ASN ND2 N 15 110.988 0.393 . 1 . . 79 A A 151 ASN ND2 . 34719 1
717 . 1 . 1 74 74 THR H H 1 8.004 0.008 . 1 . . 154 A A 152 THR H . 34719 1
718 . 1 . 1 74 74 THR HA H 1 4.401 0.001 . 1 . . 566 A A 152 THR HA . 34719 1
719 . 1 . 1 74 74 THR HB H 1 3.663 0.034 . 1 . . 567 A A 152 THR HB . 34719 1
720 . 1 . 1 74 74 THR HG21 H 1 1.087 . . 1 . . 568 A A 152 THR HG21 . 34719 1
721 . 1 . 1 74 74 THR HG22 H 1 1.087 . . 1 . . 568 A A 152 THR HG22 . 34719 1
722 . 1 . 1 74 74 THR HG23 H 1 1.087 . . 1 . . 568 A A 152 THR HG23 . 34719 1
723 . 1 . 1 74 74 THR C C 13 171.968 0.005 . 1 . . 353 A A 152 THR C . 34719 1
724 . 1 . 1 74 74 THR CA C 13 62.584 0.058 . 1 . . 351 A A 152 THR CA . 34719 1
725 . 1 . 1 74 74 THR CB C 13 72.397 0.093 . 1 . . 352 A A 152 THR CB . 34719 1
726 . 1 . 1 74 74 THR CG2 C 13 22.719 . . 1 . . 699 A A 152 THR CG2 . 34719 1
727 . 1 . 1 74 74 THR N N 15 113.141 0.097 . 1 . . 155 A A 152 THR N . 34719 1
728 . 1 . 1 75 75 LEU H H 1 8.982 0.011 . 1 . . 84 A A 153 LEU H . 34719 1
729 . 1 . 1 75 75 LEU HA H 1 4.937 0.005 . 1 . . 569 A A 153 LEU HA . 34719 1
730 . 1 . 1 75 75 LEU HB2 H 1 1.410 0.018 . 1 . . 571 A A 153 LEU HB2 . 34719 1
731 . 1 . 1 75 75 LEU HB3 H 1 1.829 0.002 . 1 . . 570 A A 153 LEU HB3 . 34719 1
732 . 1 . 1 75 75 LEU HG H 1 1.469 0.01 . 1 . . 573 A A 153 LEU HG . 34719 1
733 . 1 . 1 75 75 LEU HD11 H 1 0.954 0.002 . 1 . . 572 A A 153 LEU HD11 . 34719 1
734 . 1 . 1 75 75 LEU HD12 H 1 0.954 0.002 . 1 . . 572 A A 153 LEU HD12 . 34719 1
735 . 1 . 1 75 75 LEU HD13 H 1 0.954 0.002 . 1 . . 572 A A 153 LEU HD13 . 34719 1
736 . 1 . 1 75 75 LEU HD21 H 1 1.005 0.013 . 1 . . 720 A A 153 LEU HD21 . 34719 1
737 . 1 . 1 75 75 LEU HD22 H 1 1.005 0.013 . 1 . . 720 A A 153 LEU HD22 . 34719 1
738 . 1 . 1 75 75 LEU HD23 H 1 1.005 0.013 . 1 . . 720 A A 153 LEU HD23 . 34719 1
739 . 1 . 1 75 75 LEU C C 13 172.982 0.008 . 1 . . 284 A A 153 LEU C . 34719 1
740 . 1 . 1 75 75 LEU CA C 13 55.913 0.031 . 1 . . 282 A A 153 LEU CA . 34719 1
741 . 1 . 1 75 75 LEU CB C 13 42.993 0.044 . 1 . . 283 A A 153 LEU CB . 34719 1
742 . 1 . 1 75 75 LEU CG C 13 28.029 0.039 . 1 . . 700 A A 153 LEU CG . 34719 1
743 . 1 . 1 75 75 LEU CD1 C 13 27.980 0.033 . 1 . . 716 A A 153 LEU CD1 . 34719 1
744 . 1 . 1 75 75 LEU CD2 C 13 23.863 0.021 . 1 . . 701 A A 153 LEU CD2 . 34719 1
745 . 1 . 1 75 75 LEU N N 15 127.627 0.113 . 1 . . 85 A A 153 LEU N . 34719 1
746 . 1 . 1 76 76 VAL H H 1 8.884 0.006 . 1 . . 43 A A 154 VAL H . 34719 1
747 . 1 . 1 76 76 VAL HA H 1 5.066 0.003 . 1 . . 574 A A 154 VAL HA . 34719 1
748 . 1 . 1 76 76 VAL HB H 1 1.833 . . 1 . . 575 A A 154 VAL HB . 34719 1
749 . 1 . 1 76 76 VAL HG11 H 1 0.841 . . 1 . . 576 A A 154 VAL HG11 . 34719 1
750 . 1 . 1 76 76 VAL HG12 H 1 0.841 . . 1 . . 576 A A 154 VAL HG12 . 34719 1
751 . 1 . 1 76 76 VAL HG13 H 1 0.841 . . 1 . . 576 A A 154 VAL HG13 . 34719 1
752 . 1 . 1 76 76 VAL C C 13 175.334 0.005 . 1 . . 238 A A 154 VAL C . 34719 1
753 . 1 . 1 76 76 VAL CA C 13 60.439 0.016 . 1 . . 236 A A 154 VAL CA . 34719 1
754 . 1 . 1 76 76 VAL CB C 13 34.752 0.026 . 1 . . 237 A A 154 VAL CB . 34719 1
755 . 1 . 1 76 76 VAL CG1 C 13 20.661 . . 1 . . 702 A A 154 VAL CG1 . 34719 1
756 . 1 . 1 76 76 VAL CG2 C 13 22.036 . . 1 . . 703 A A 154 VAL CG2 . 34719 1
757 . 1 . 1 76 76 VAL N N 15 127.701 0.052 . 1 . . 44 A A 154 VAL N . 34719 1
758 . 1 . 1 77 77 LEU H H 1 9.112 0.012 . 1 . . 100 A A 155 LEU H . 34719 1
759 . 1 . 1 77 77 LEU HA H 1 5.242 0.001 . 1 . . 577 A A 155 LEU HA . 34719 1
760 . 1 . 1 77 77 LEU HB2 H 1 1.145 0.003 . 1 . . 579 A A 155 LEU HB2 . 34719 1
761 . 1 . 1 77 77 LEU HB3 H 1 1.468 0.0 . 1 . . 578 A A 155 LEU HB3 . 34719 1
762 . 1 . 1 77 77 LEU HG H 1 1.423 . . 1 . . 581 A A 155 LEU HG . 34719 1
763 . 1 . 1 77 77 LEU HD11 H 1 0.469 0.012 . 1 . . 580 A A 155 LEU HD11 . 34719 1
764 . 1 . 1 77 77 LEU HD12 H 1 0.469 0.012 . 1 . . 580 A A 155 LEU HD12 . 34719 1
765 . 1 . 1 77 77 LEU HD13 H 1 0.469 0.012 . 1 . . 580 A A 155 LEU HD13 . 34719 1
766 . 1 . 1 77 77 LEU HD21 H 1 0.492 0.006 . 1 . . 707 A A 155 LEU HD21 . 34719 1
767 . 1 . 1 77 77 LEU HD22 H 1 0.492 0.006 . 1 . . 707 A A 155 LEU HD22 . 34719 1
768 . 1 . 1 77 77 LEU HD23 H 1 0.492 0.006 . 1 . . 707 A A 155 LEU HD23 . 34719 1
769 . 1 . 1 77 77 LEU C C 13 175.717 0.007 . 1 . . 299 A A 155 LEU C . 34719 1
770 . 1 . 1 77 77 LEU CA C 13 52.572 0.014 . 1 . . 297 A A 155 LEU CA . 34719 1
771 . 1 . 1 77 77 LEU CB C 13 45.849 0.047 . 1 . . 298 A A 155 LEU CB . 34719 1
772 . 1 . 1 77 77 LEU CG C 13 27.487 . . 1 . . 704 A A 155 LEU CG . 34719 1
773 . 1 . 1 77 77 LEU CD1 C 13 23.501 0.016 . 1 . . 706 A A 155 LEU CD1 . 34719 1
774 . 1 . 1 77 77 LEU CD2 C 13 27.393 0.054 . 1 . . 705 A A 155 LEU CD2 . 34719 1
775 . 1 . 1 77 77 LEU N N 15 126.696 0.06 . 1 . . 101 A A 155 LEU N . 34719 1
776 . 1 . 1 78 78 GLU H H 1 9.041 0.008 . 1 . . 74 A A 156 GLU H . 34719 1
777 . 1 . 1 78 78 GLU HA H 1 4.791 0.002 . 1 . . 582 A A 156 GLU HA . 34719 1
778 . 1 . 1 78 78 GLU HB2 H 1 1.745 . . 2 . . 583 A A 156 GLU HB2 . 34719 1
779 . 1 . 1 78 78 GLU HB3 H 1 1.683 . . 2 . . 584 A A 156 GLU HB3 . 34719 1
780 . 1 . 1 78 78 GLU HG2 H 1 1.988 0.003 . 1 . . 585 A A 156 GLU HG2 . 34719 1
781 . 1 . 1 78 78 GLU C C 13 174.620 0.003 . 1 . . 272 A A 156 GLU C . 34719 1
782 . 1 . 1 78 78 GLU CA C 13 54.754 0.053 . 1 . . 270 A A 156 GLU CA . 34719 1
783 . 1 . 1 78 78 GLU CB C 13 33.365 0.004 . 1 . . 271 A A 156 GLU CB . 34719 1
784 . 1 . 1 78 78 GLU CG C 13 36.024 0.002 . 1 . . 708 A A 156 GLU CG . 34719 1
785 . 1 . 1 78 78 GLU N N 15 119.953 0.117 . 1 . . 75 A A 156 GLU N . 34719 1
786 . 1 . 1 79 79 ARG H H 1 8.527 0.016 . 1 . . 15 A A 157 ARG H . 34719 1
787 . 1 . 1 79 79 ARG HA H 1 4.672 . . 1 . . 586 A A 157 ARG HA . 34719 1
788 . 1 . 1 79 79 ARG HB2 H 1 1.875 0.0 . 2 . . 587 A A 157 ARG HB2 . 34719 1
789 . 1 . 1 79 79 ARG HB3 H 1 1.692 . . 2 . . 588 A A 157 ARG HB3 . 34719 1
790 . 1 . 1 79 79 ARG HG2 H 1 1.621 . . 1 . . 590 A A 157 ARG HG2 . 34719 1
791 . 1 . 1 79 79 ARG HD2 H 1 3.116 0.003 . 1 . . 589 A A 157 ARG HD2 . 34719 1
792 . 1 . 1 79 79 ARG C C 13 176.266 0.004 . 1 . . 215 A A 157 ARG C . 34719 1
793 . 1 . 1 79 79 ARG CA C 13 55.704 0.005 . 1 . . 213 A A 157 ARG CA . 34719 1
794 . 1 . 1 79 79 ARG CB C 13 31.560 0.017 . 1 . . 214 A A 157 ARG CB . 34719 1
795 . 1 . 1 79 79 ARG CG C 13 27.204 . . 1 . . 709 A A 157 ARG CG . 34719 1
796 . 1 . 1 79 79 ARG CD C 13 43.790 0.008 . 1 . . 710 A A 157 ARG CD . 34719 1
797 . 1 . 1 79 79 ARG N N 15 123.066 0.11 . 1 . . 16 A A 157 ARG N . 34719 1
798 . 1 . 1 80 80 SER H H 1 8.625 0.012 . 1 . . 125 A A 158 SER H . 34719 1
799 . 1 . 1 80 80 SER HA H 1 4.389 0.006 . 1 . . 591 A A 158 SER HA . 34719 1
800 . 1 . 1 80 80 SER HB2 H 1 3.803 0.0 . 1 . . 592 A A 158 SER HB2 . 34719 1
801 . 1 . 1 80 80 SER C C 13 174.385 0.006 . 1 . . 323 A A 158 SER C . 34719 1
802 . 1 . 1 80 80 SER CA C 13 58.527 0.019 . 1 . . 321 A A 158 SER CA . 34719 1
803 . 1 . 1 80 80 SER CB C 13 63.863 0.004 . 1 . . 322 A A 158 SER CB . 34719 1
804 . 1 . 1 80 80 SER N N 15 119.126 0.084 . 1 . . 126 A A 158 SER N . 34719 1
805 . 1 . 1 81 81 ASP H H 1 8.473 0.005 . 1 . . 39 A A 159 ASP H . 34719 1
806 . 1 . 1 81 81 ASP HA H 1 4.579 0.002 . 1 . . 593 A A 159 ASP HA . 34719 1
807 . 1 . 1 81 81 ASP HB2 H 1 2.588 0.014 . 1 . . 594 A A 159 ASP HB2 . 34719 1
808 . 1 . 1 81 81 ASP C C 13 175.879 0.001 . 1 . . 362 A A 159 ASP C . 34719 1
809 . 1 . 1 81 81 ASP CA C 13 54.161 0.008 . 1 . . 360 A A 159 ASP CA . 34719 1
810 . 1 . 1 81 81 ASP CB C 13 41.259 0.015 . 1 . . 361 A A 159 ASP CB . 34719 1
811 . 1 . 1 81 81 ASP N N 15 122.457 0.111 . 1 . . 40 A A 159 ASP N . 34719 1
812 . 1 . 1 82 82 GLU H H 1 8.183 0.01 . 1 . . 7 A A 160 GLU H . 34719 1
813 . 1 . 1 82 82 GLU HA H 1 4.203 . . 1 . . 595 A A 160 GLU HA . 34719 1
814 . 1 . 1 82 82 GLU HB2 H 1 1.995 0.001 . 2 . . 596 A A 160 GLU HB2 . 34719 1
815 . 1 . 1 82 82 GLU HB3 H 1 1.831 0.003 . 2 . . 597 A A 160 GLU HB3 . 34719 1
816 . 1 . 1 82 82 GLU HG2 H 1 2.188 0.012 . 1 . . 598 A A 160 GLU HG2 . 34719 1
817 . 1 . 1 82 82 GLU C C 13 175.450 0.001 . 1 . . 206 A A 160 GLU C . 34719 1
818 . 1 . 1 82 82 GLU CA C 13 56.598 0.003 . 1 . . 242 A A 160 GLU CA . 34719 1
819 . 1 . 1 82 82 GLU CB C 13 30.324 0.03 . 1 . . 207 A A 160 GLU CB . 34719 1
820 . 1 . 1 82 82 GLU CG C 13 36.266 0.005 . 1 . . 711 A A 160 GLU CG . 34719 1
821 . 1 . 1 82 82 GLU N N 15 121.154 0.15 . 1 . . 8 A A 160 GLU N . 34719 1
822 . 1 . 1 83 83 LYS H H 1 7.856 0.014 . 1 . . 49 A A 161 LYS H . 34719 1
823 . 1 . 1 83 83 LYS C C 13 181.276 . . 1 . . 244 A A 161 LYS C . 34719 1
824 . 1 . 1 83 83 LYS CA C 13 57.543 . . 1 . . 614 A A 161 LYS CA . 34719 1
825 . 1 . 1 83 83 LYS CB C 13 33.625 . . 1 . . 243 A A 161 LYS CB . 34719 1
826 . 1 . 1 83 83 LYS N N 15 127.494 0.182 . 1 . . 50 A A 161 LYS N . 34719 1
stop_
save_