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 25745
_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 $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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5abk/ebi/prtv.star.csh'
_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 'Backbone exps' 1 $sample_1 solution 25745 1
2 'NOE exps' 1 $sample_1 solution 25745 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
3 $x-plor 1 $cyana_2.1 25745 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 ALA HA H 1 4.119 . . 1 . . 822 . . 2 ALA HA . 25745 1
2 . 1 . 1 2 2 ALA HB1 H 1 1.169 . . 1 . . 821 . . 2 ALA HB1 . 25745 1
3 . 1 . 1 2 2 ALA HB2 H 1 1.169 . . 1 . . 821 . . 2 ALA HB2 . 25745 1
4 . 1 . 1 2 2 ALA HB3 H 1 1.169 . . 1 . . 821 . . 2 ALA HB3 . 25745 1
5 . 1 . 1 2 2 ALA C C 13 175.076 . . 1 . . 287 . . 2 ALA C . 25745 1
6 . 1 . 1 2 2 ALA CA C 13 49.743 . . 1 . . 288 . . 2 ALA CA . 25745 1
7 . 1 . 1 2 2 ALA CB C 13 16.523 . . 1 . . 289 . . 2 ALA CB . 25745 1
8 . 1 . 1 3 3 MET H H 1 8.359 0.001 . 1 . . 83 . . 3 MET H . 25745 1
9 . 1 . 1 3 3 MET HA H 1 4.232 0.004 . 1 . . 825 . . 3 MET HA . 25745 1
10 . 1 . 1 3 3 MET HB2 H 1 1.786 0.009 . 2 . . 826 . . 3 MET HB2 . 25745 1
11 . 1 . 1 3 3 MET HB3 H 1 1.851 0.003 . 2 . . 827 . . 3 MET HB3 . 25745 1
12 . 1 . 1 3 3 MET HG2 H 1 2.352 . . 2 . . 828 . . 3 MET HG2 . 25745 1
13 . 1 . 1 3 3 MET HG3 H 1 2.410 . . 2 . . 829 . . 3 MET HG3 . 25745 1
14 . 1 . 1 3 3 MET C C 13 173.209 . . 1 . . 281 . . 3 MET C . 25745 1
15 . 1 . 1 3 3 MET CA C 13 52.456 0.039 . 1 . . 280 . . 3 MET CA . 25745 1
16 . 1 . 1 3 3 MET CB C 13 29.939 0.001 . 1 . . 290 . . 3 MET CB . 25745 1
17 . 1 . 1 3 3 MET CG C 13 29.037 . . 1 . . 820 . . 3 MET CG . 25745 1
18 . 1 . 1 3 3 MET N N 15 120.053 0.015 . 1 . . 84 . . 3 MET N . 25745 1
19 . 1 . 1 4 4 ALA H H 1 8.251 0.006 . 1 . . 79 . . 4 ALA H . 25745 1
20 . 1 . 1 4 4 ALA HA H 1 4.076 0.002 . 1 . . 823 . . 4 ALA HA . 25745 1
21 . 1 . 1 4 4 ALA HB1 H 1 1.169 0.007 . 1 . . 824 . . 4 ALA HB1 . 25745 1
22 . 1 . 1 4 4 ALA HB2 H 1 1.169 0.007 . 1 . . 824 . . 4 ALA HB2 . 25745 1
23 . 1 . 1 4 4 ALA HB3 H 1 1.169 0.007 . 1 . . 824 . . 4 ALA HB3 . 25745 1
24 . 1 . 1 4 4 ALA C C 13 174.690 . . 1 . . 412 . . 4 ALA C . 25745 1
25 . 1 . 1 4 4 ALA CA C 13 49.616 0.024 . 1 . . 283 . . 4 ALA CA . 25745 1
26 . 1 . 1 4 4 ALA CB C 13 16.389 0.009 . 1 . . 282 . . 4 ALA CB . 25745 1
27 . 1 . 1 4 4 ALA N N 15 125.817 0.013 . 1 . . 80 . . 4 ALA N . 25745 1
28 . 1 . 1 5 5 GLN H H 1 8.274 0.002 . 1 . . 125 . . 5 GLN H . 25745 1
29 . 1 . 1 5 5 GLN HA H 1 4.157 0.004 . 1 . . 817 . . 5 GLN HA . 25745 1
30 . 1 . 1 5 5 GLN HB2 H 1 1.742 0.002 . 2 . . 818 . . 5 GLN HB2 . 25745 1
31 . 1 . 1 5 5 GLN HB3 H 1 1.867 0.006 . 2 . . 819 . . 5 GLN HB3 . 25745 1
32 . 1 . 1 5 5 GLN HG2 H 1 2.140 . . 1 . . 902 . . 5 GLN HG2 . 25745 1
33 . 1 . 1 5 5 GLN C C 13 173.064 . . 1 . . 351 . . 5 GLN C . 25745 1
34 . 1 . 1 5 5 GLN CA C 13 52.647 0.049 . 1 . . 350 . . 5 GLN CA . 25745 1
35 . 1 . 1 5 5 GLN CB C 13 26.852 0.019 . 1 . . 815 . . 5 GLN CB . 25745 1
36 . 1 . 1 5 5 GLN CG C 13 30.964 0.021 . 1 . . 816 . . 5 GLN CG . 25745 1
37 . 1 . 1 5 5 GLN N N 15 119.839 0.019 . 1 . . 126 . . 5 GLN N . 25745 1
38 . 1 . 1 6 6 THR H H 1 8.181 0.005 . 1 . . 59 . . 6 THR H . 25745 1
39 . 1 . 1 6 6 THR HA H 1 4.348 0.001 . 1 . . 831 . . 6 THR HA . 25745 1
40 . 1 . 1 6 6 THR HB H 1 3.931 0.004 . 1 . . 830 . . 6 THR HB . 25745 1
41 . 1 . 1 6 6 THR HG21 H 1 1.039 0.002 . 1 . . 833 . . 6 THR HG21 . 25745 1
42 . 1 . 1 6 6 THR HG22 H 1 1.039 0.002 . 1 . . 833 . . 6 THR HG22 . 25745 1
43 . 1 . 1 6 6 THR HG23 H 1 1.039 0.002 . 1 . . 833 . . 6 THR HG23 . 25745 1
44 . 1 . 1 6 6 THR C C 13 169.911 . . 1 . . 251 . . 6 THR C . 25745 1
45 . 1 . 1 6 6 THR CA C 13 57.258 0.074 . 1 . . 250 . . 6 THR CA . 25745 1
46 . 1 . 1 6 6 THR CB C 13 66.793 0.019 . 1 . . 249 . . 6 THR CB . 25745 1
47 . 1 . 1 6 6 THR CG2 C 13 18.694 0.021 . 1 . . 832 . . 6 THR CG2 . 25745 1
48 . 1 . 1 6 6 THR N N 15 118.689 0.019 . 1 . . 60 . . 6 THR N . 25745 1
49 . 1 . 1 7 7 PRO HA H 1 4.212 0.001 . 1 . . 522 . . 7 PRO HA . 25745 1
50 . 1 . 1 7 7 PRO HB2 H 1 2.080 0.002 . 2 . . 525 . . 7 PRO HB2 . 25745 1
51 . 1 . 1 7 7 PRO HB3 H 1 1.666 0.003 . 2 . . 526 . . 7 PRO HB3 . 25745 1
52 . 1 . 1 7 7 PRO HG2 H 1 1.768 0.002 . 2 . . 527 . . 7 PRO HG2 . 25745 1
53 . 1 . 1 7 7 PRO HG3 H 1 1.830 0.001 . 2 . . 528 . . 7 PRO HG3 . 25745 1
54 . 1 . 1 7 7 PRO HD2 H 1 3.666 0.003 . 2 . . 523 . . 7 PRO HD2 . 25745 1
55 . 1 . 1 7 7 PRO HD3 H 1 3.485 0.002 . 2 . . 524 . . 7 PRO HD3 . 25745 1
56 . 1 . 1 7 7 PRO C C 13 174.097 . . 1 . . 217 . . 7 PRO C . 25745 1
57 . 1 . 1 7 7 PRO CA C 13 60.421 0.018 . 1 . . 216 . . 7 PRO CA . 25745 1
58 . 1 . 1 7 7 PRO CB C 13 29.323 0.013 . 1 . . 215 . . 7 PRO CB . 25745 1
59 . 1 . 1 7 7 PRO CG C 13 24.664 0.019 . 1 . . 414 . . 7 PRO CG . 25745 1
60 . 1 . 1 7 7 PRO CD C 13 48.271 0.022 . 1 . . 413 . . 7 PRO CD . 25745 1
61 . 1 . 1 8 8 ILE H H 1 8.070 0.002 . 1 . . 37 . . 8 ILE H . 25745 1
62 . 1 . 1 8 8 ILE HA H 1 3.851 0.002 . 1 . . 529 . . 8 ILE HA . 25745 1
63 . 1 . 1 8 8 ILE HB H 1 1.584 0.003 . 1 . . 530 . . 8 ILE HB . 25745 1
64 . 1 . 1 8 8 ILE HG12 H 1 0.959 0.003 . 2 . . 532 . . 8 ILE HG12 . 25745 1
65 . 1 . 1 8 8 ILE HG13 H 1 1.267 0.004 . 2 . . 533 . . 8 ILE HG13 . 25745 1
66 . 1 . 1 8 8 ILE HG21 H 1 0.654 . . 1 . . 842 . . 8 ILE HG21 . 25745 1
67 . 1 . 1 8 8 ILE HG22 H 1 0.654 . . 1 . . 842 . . 8 ILE HG22 . 25745 1
68 . 1 . 1 8 8 ILE HG23 H 1 0.654 . . 1 . . 842 . . 8 ILE HG23 . 25745 1
69 . 1 . 1 8 8 ILE HD11 H 1 0.639 0.01 . 1 . . 531 . . 8 ILE HD11 . 25745 1
70 . 1 . 1 8 8 ILE HD12 H 1 0.639 0.01 . 1 . . 531 . . 8 ILE HD12 . 25745 1
71 . 1 . 1 8 8 ILE HD13 H 1 0.639 0.01 . 1 . . 531 . . 8 ILE HD13 . 25745 1
72 . 1 . 1 8 8 ILE C C 13 172.844 . . 1 . . 220 . . 8 ILE C . 25745 1
73 . 1 . 1 8 8 ILE CA C 13 58.473 0.033 . 1 . . 219 . . 8 ILE CA . 25745 1
74 . 1 . 1 8 8 ILE CB C 13 36.029 0.005 . 1 . . 218 . . 8 ILE CB . 25745 1
75 . 1 . 1 8 8 ILE CG1 C 13 24.665 0.015 . 1 . . 415 . . 8 ILE CG1 . 25745 1
76 . 1 . 1 8 8 ILE CG2 C 13 14.671 0.027 . 1 . . 416 . . 8 ILE CG2 . 25745 1
77 . 1 . 1 8 8 ILE CD1 C 13 10.184 0.033 . 1 . . 417 . . 8 ILE CD1 . 25745 1
78 . 1 . 1 8 8 ILE N N 15 121.072 0.006 . 1 . . 38 . . 8 ILE N . 25745 1
79 . 1 . 1 9 9 ASP H H 1 8.188 0.002 . 1 . . 139 . . 9 ASP H . 25745 1
80 . 1 . 1 9 9 ASP HA H 1 4.416 0.001 . 1 . . 534 . . 9 ASP HA . 25745 1
81 . 1 . 1 9 9 ASP HB2 H 1 2.545 0.003 . 2 . . 535 . . 9 ASP HB2 . 25745 1
82 . 1 . 1 9 9 ASP HB3 H 1 2.376 0.005 . 2 . . 536 . . 9 ASP HB3 . 25745 1
83 . 1 . 1 9 9 ASP C C 13 173.471 . . 1 . . 372 . . 9 ASP C . 25745 1
84 . 1 . 1 9 9 ASP CA C 13 50.956 0.034 . 1 . . 371 . . 9 ASP CA . 25745 1
85 . 1 . 1 9 9 ASP CB C 13 38.335 0.025 . 1 . . 370 . . 9 ASP CB . 25745 1
86 . 1 . 1 9 9 ASP N N 15 124.397 0.005 . 1 . . 140 . . 9 ASP N . 25745 1
87 . 1 . 1 10 10 LEU H H 1 8.301 0.002 . 1 . . 11 . . 10 LEU H . 25745 1
88 . 1 . 1 10 10 LEU HA H 1 4.043 0.005 . 1 . . 537 . . 10 LEU HA . 25745 1
89 . 1 . 1 10 10 LEU HB2 H 1 1.461 0.001 . 2 . . 540 . . 10 LEU HB2 . 25745 1
90 . 1 . 1 10 10 LEU HB3 H 1 1.395 0.004 . 2 . . 903 . . 10 LEU HB3 . 25745 1
91 . 1 . 1 10 10 LEU HG H 1 1.451 0.002 . 1 . . 861 . . 10 LEU HG . 25745 1
92 . 1 . 1 10 10 LEU HD11 H 1 0.691 0.002 . 2 . . 538 . . 10 LEU HD11 . 25745 1
93 . 1 . 1 10 10 LEU HD12 H 1 0.691 0.002 . 2 . . 538 . . 10 LEU HD12 . 25745 1
94 . 1 . 1 10 10 LEU HD13 H 1 0.691 0.002 . 2 . . 538 . . 10 LEU HD13 . 25745 1
95 . 1 . 1 10 10 LEU HD21 H 1 0.617 0.002 . 2 . . 539 . . 10 LEU HD21 . 25745 1
96 . 1 . 1 10 10 LEU HD22 H 1 0.617 0.002 . 2 . . 539 . . 10 LEU HD22 . 25745 1
97 . 1 . 1 10 10 LEU HD23 H 1 0.617 0.002 . 2 . . 539 . . 10 LEU HD23 . 25745 1
98 . 1 . 1 10 10 LEU C C 13 175.196 . . 1 . . 181 . . 10 LEU C . 25745 1
99 . 1 . 1 10 10 LEU CA C 13 52.756 0.034 . 1 . . 180 . . 10 LEU CA . 25745 1
100 . 1 . 1 10 10 LEU CB C 13 39.238 0.017 . 1 . . 179 . . 10 LEU CB . 25745 1
101 . 1 . 1 10 10 LEU CG C 13 24.182 0.039 . 1 . . 418 . . 10 LEU CG . 25745 1
102 . 1 . 1 10 10 LEU CD1 C 13 22.316 0.099 . 2 . . 419 . . 10 LEU CD1 . 25745 1
103 . 1 . 1 10 10 LEU CD2 C 13 20.387 0.011 . 2 . . 420 . . 10 LEU CD2 . 25745 1
104 . 1 . 1 10 10 LEU N N 15 123.979 0.011 . 1 . . 12 . . 10 LEU N . 25745 1
105 . 1 . 1 11 11 GLY H H 1 8.320 0.009 . 1 . . 47 . . 11 GLY H . 25745 1
106 . 1 . 1 11 11 GLY HA2 H 1 3.704 . . 1 . . 901 . . 11 GLY HA2 . 25745 1
107 . 1 . 1 11 11 GLY C C 13 171.483 . . 1 . . 233 . . 11 GLY C . 25745 1
108 . 1 . 1 11 11 GLY CA C 13 42.718 0.02 . 1 . . 232 . . 11 GLY CA . 25745 1
109 . 1 . 1 11 11 GLY N N 15 108.391 0.014 . 1 . . 48 . . 11 GLY N . 25745 1
110 . 1 . 1 12 12 VAL H H 1 7.692 0.002 . 1 . . 81 . . 12 VAL H . 25745 1
111 . 1 . 1 12 12 VAL HA H 1 3.889 0.001 . 1 . . 541 . . 12 VAL HA . 25745 1
112 . 1 . 1 12 12 VAL HB H 1 1.873 0.008 . 1 . . 542 . . 12 VAL HB . 25745 1
113 . 1 . 1 12 12 VAL HG11 H 1 0.717 0.005 . 2 . . 543 . . 12 VAL HG11 . 25745 1
114 . 1 . 1 12 12 VAL HG12 H 1 0.717 0.005 . 2 . . 543 . . 12 VAL HG12 . 25745 1
115 . 1 . 1 12 12 VAL HG13 H 1 0.717 0.005 . 2 . . 543 . . 12 VAL HG13 . 25745 1
116 . 1 . 1 12 12 VAL HG21 H 1 0.700 0.007 . 2 . . 544 . . 12 VAL HG21 . 25745 1
117 . 1 . 1 12 12 VAL HG22 H 1 0.700 0.007 . 2 . . 544 . . 12 VAL HG22 . 25745 1
118 . 1 . 1 12 12 VAL HG23 H 1 0.700 0.007 . 2 . . 544 . . 12 VAL HG23 . 25745 1
119 . 1 . 1 12 12 VAL C C 13 173.536 . . 1 . . 286 . . 12 VAL C . 25745 1
120 . 1 . 1 12 12 VAL CA C 13 59.751 0.003 . 1 . . 285 . . 12 VAL CA . 25745 1
121 . 1 . 1 12 12 VAL CB C 13 29.737 0.026 . 1 . . 284 . . 12 VAL CB . 25745 1
122 . 1 . 1 12 12 VAL CG1 C 13 17.915 0.021 . 2 . . 489 . . 12 VAL CG1 . 25745 1
123 . 1 . 1 12 12 VAL CG2 C 13 18.367 0.022 . 2 . . 488 . . 12 VAL CG2 . 25745 1
124 . 1 . 1 12 12 VAL N N 15 119.210 0.023 . 1 . . 82 . . 12 VAL N . 25745 1
125 . 1 . 1 13 13 VAL H H 1 8.022 0.002 . 1 . . 107 . . 13 VAL H . 25745 1
126 . 1 . 1 13 13 VAL HA H 1 3.833 0.006 . 1 . . 551 . . 13 VAL HA . 25745 1
127 . 1 . 1 13 13 VAL HB H 1 1.850 0.003 . 1 . . 843 . . 13 VAL HB . 25745 1
128 . 1 . 1 13 13 VAL HG11 H 1 0.724 0.011 . 2 . . 552 . . 13 VAL HG11 . 25745 1
129 . 1 . 1 13 13 VAL HG12 H 1 0.724 0.011 . 2 . . 552 . . 13 VAL HG12 . 25745 1
130 . 1 . 1 13 13 VAL HG13 H 1 0.724 0.011 . 2 . . 552 . . 13 VAL HG13 . 25745 1
131 . 1 . 1 13 13 VAL HG21 H 1 0.704 0.011 . 2 . . 553 . . 13 VAL HG21 . 25745 1
132 . 1 . 1 13 13 VAL HG22 H 1 0.704 0.011 . 2 . . 553 . . 13 VAL HG22 . 25745 1
133 . 1 . 1 13 13 VAL HG23 H 1 0.704 0.011 . 2 . . 553 . . 13 VAL HG23 . 25745 1
134 . 1 . 1 13 13 VAL C C 13 172.859 . . 1 . . 327 . . 13 VAL C . 25745 1
135 . 1 . 1 13 13 VAL CA C 13 59.908 . . 1 . . 326 . . 13 VAL CA . 25745 1
136 . 1 . 1 13 13 VAL CB C 13 29.793 . . 1 . . 325 . . 13 VAL CB . 25745 1
137 . 1 . 1 13 13 VAL CG1 C 13 18.283 . . 1 . . 549 . . 13 VAL CG1 . 25745 1
138 . 1 . 1 13 13 VAL CG2 C 13 18.283 . . 1 . . 550 . . 13 VAL CG2 . 25745 1
139 . 1 . 1 13 13 VAL N N 15 123.239 0.014 . 1 . . 108 . . 13 VAL N . 25745 1
140 . 1 . 1 14 14 ASN H H 1 8.175 0.004 . 1 . . 517 . . 14 ASN H . 25745 1
141 . 1 . 1 14 14 ASN HA H 1 4.495 0.005 . 1 . . 546 . . 14 ASN HA . 25745 1
142 . 1 . 1 14 14 ASN HB2 H 1 2.695 0.006 . 2 . . 545 . . 14 ASN HB2 . 25745 1
143 . 1 . 1 14 14 ASN HB3 H 1 2.610 0.003 . 2 . . 548 . . 14 ASN HB3 . 25745 1
144 . 1 . 1 14 14 ASN C C 13 172.873 . . 1 . . 317 . . 14 ASN C . 25745 1
145 . 1 . 1 14 14 ASN CA C 13 50.249 . . 1 . . 441 . . 14 ASN CA . 25745 1
146 . 1 . 1 14 14 ASN CB C 13 35.751 0.028 . 1 . . 443 . . 14 ASN CB . 25745 1
147 . 1 . 1 14 14 ASN N N 15 122.101 0.019 . 1 . . 518 . . 14 ASN N . 25745 1
148 . 1 . 1 15 15 GLU H H 1 8.555 0.005 . 1 . . 162 . . 15 GLU H . 25745 1
149 . 1 . 1 15 15 GLU HA H 1 3.595 0.003 . 1 . . 554 . . 15 GLU HA . 25745 1
150 . 1 . 1 15 15 GLU HB2 H 1 1.858 0.002 . 2 . . 557 . . 15 GLU HB2 . 25745 1
151 . 1 . 1 15 15 GLU HB3 H 1 1.768 0.003 . 2 . . 558 . . 15 GLU HB3 . 25745 1
152 . 1 . 1 15 15 GLU HG2 H 1 2.157 0.005 . 2 . . 555 . . 15 GLU HG2 . 25745 1
153 . 1 . 1 15 15 GLU HG3 H 1 1.958 0.002 . 2 . . 556 . . 15 GLU HG3 . 25745 1
154 . 1 . 1 15 15 GLU C C 13 174.460 . . 1 . . 403 . . 15 GLU C . 25745 1
155 . 1 . 1 15 15 GLU CA C 13 57.400 0.055 . 1 . . 401 . . 15 GLU CA . 25745 1
156 . 1 . 1 15 15 GLU CB C 13 26.876 0.036 . 1 . . 402 . . 15 GLU CB . 25745 1
157 . 1 . 1 15 15 GLU CG C 13 34.185 0.024 . 1 . . 421 . . 15 GLU CG . 25745 1
158 . 1 . 1 15 15 GLU N N 15 122.909 0.015 . 1 . . 161 . . 15 GLU N . 25745 1
159 . 1 . 1 16 16 ASP H H 1 8.110 0.002 . 1 . . 164 . . 16 ASP H . 25745 1
160 . 1 . 1 16 16 ASP HA H 1 4.139 0.003 . 1 . . 559 . . 16 ASP HA . 25745 1
161 . 1 . 1 16 16 ASP HB2 H 1 2.473 0.025 . 2 . . 560 . . 16 ASP HB2 . 25745 1
162 . 1 . 1 16 16 ASP HB3 H 1 2.507 . . 2 . . 873 . . 16 ASP HB3 . 25745 1
163 . 1 . 1 16 16 ASP C C 13 176.422 . . 1 . . 405 . . 16 ASP C . 25745 1
164 . 1 . 1 16 16 ASP CA C 13 54.583 0.04 . 1 . . 406 . . 16 ASP CA . 25745 1
165 . 1 . 1 16 16 ASP CB C 13 37.077 . . 1 . . 404 . . 16 ASP CB . 25745 1
166 . 1 . 1 16 16 ASP N N 15 117.900 0.008 . 1 . . 163 . . 16 ASP N . 25745 1
167 . 1 . 1 17 17 LYS H H 1 7.698 0.003 . 1 . . 143 . . 17 LYS H . 25745 1
168 . 1 . 1 17 17 LYS HA H 1 3.884 0.003 . 1 . . 561 . . 17 LYS HA . 25745 1
169 . 1 . 1 17 17 LYS HB2 H 1 1.651 0.007 . 2 . . 885 . . 17 LYS HB2 . 25745 1
170 . 1 . 1 17 17 LYS HB3 H 1 1.628 0.006 . 2 . . 886 . . 17 LYS HB3 . 25745 1
171 . 1 . 1 17 17 LYS HG2 H 1 1.347 0.002 . 2 . . 563 . . 17 LYS HG2 . 25745 1
172 . 1 . 1 17 17 LYS HG3 H 1 1.212 0.002 . 2 . . 564 . . 17 LYS HG3 . 25745 1
173 . 1 . 1 17 17 LYS HD2 H 1 1.464 . . 1 . . 562 . . 17 LYS HD2 . 25745 1
174 . 1 . 1 17 17 LYS C C 13 176.851 . . 1 . . 377 . . 17 LYS C . 25745 1
175 . 1 . 1 17 17 LYS CA C 13 55.484 0.001 . 1 . . 376 . . 17 LYS CA . 25745 1
176 . 1 . 1 17 17 LYS CB C 13 29.430 . . 1 . . 375 . . 17 LYS CB . 25745 1
177 . 1 . 1 17 17 LYS CG C 13 22.257 0.012 . 1 . . 424 . . 17 LYS CG . 25745 1
178 . 1 . 1 17 17 LYS CD C 13 25.873 . . 1 . . 423 . . 17 LYS CD . 25745 1
179 . 1 . 1 17 17 LYS CE C 13 39.274 . . 1 . . 422 . . 17 LYS CE . 25745 1
180 . 1 . 1 17 17 LYS N N 15 120.238 0.01 . 1 . . 144 . . 17 LYS N . 25745 1
181 . 1 . 1 18 18 LEU H H 1 7.805 0.003 . 1 . . 57 . . 18 LEU H . 25745 1
182 . 1 . 1 18 18 LEU HA H 1 3.868 0.005 . 1 . . 565 . . 18 LEU HA . 25745 1
183 . 1 . 1 18 18 LEU HB2 H 1 1.667 0.004 . 2 . . 566 . . 18 LEU HB2 . 25745 1
184 . 1 . 1 18 18 LEU HB3 H 1 1.041 0.005 . 2 . . 862 . . 18 LEU HB3 . 25745 1
185 . 1 . 1 18 18 LEU HG H 1 1.446 0.004 . 1 . . 567 . . 18 LEU HG . 25745 1
186 . 1 . 1 18 18 LEU HD11 H 1 0.661 0.002 . 2 . . 568 . . 18 LEU HD11 . 25745 1
187 . 1 . 1 18 18 LEU HD12 H 1 0.661 0.002 . 2 . . 568 . . 18 LEU HD12 . 25745 1
188 . 1 . 1 18 18 LEU HD13 H 1 0.661 0.002 . 2 . . 568 . . 18 LEU HD13 . 25745 1
189 . 1 . 1 18 18 LEU HD21 H 1 0.589 0.002 . 2 . . 569 . . 18 LEU HD21 . 25745 1
190 . 1 . 1 18 18 LEU HD22 H 1 0.589 0.002 . 2 . . 569 . . 18 LEU HD22 . 25745 1
191 . 1 . 1 18 18 LEU HD23 H 1 0.589 0.002 . 2 . . 569 . . 18 LEU HD23 . 25745 1
192 . 1 . 1 18 18 LEU C C 13 176.037 . . 1 . . 247 . . 18 LEU C . 25745 1
193 . 1 . 1 18 18 LEU CA C 13 55.100 0.039 . 1 . . 248 . . 18 LEU CA . 25745 1
194 . 1 . 1 18 18 LEU CB C 13 39.357 0.026 . 1 . . 246 . . 18 LEU CB . 25745 1
195 . 1 . 1 18 18 LEU CG C 13 24.279 0.037 . 1 . . 426 . . 18 LEU CG . 25745 1
196 . 1 . 1 18 18 LEU CD1 C 13 22.831 . . 2 . . 425 . . 18 LEU CD1 . 25745 1
197 . 1 . 1 18 18 LEU CD2 C 13 20.954 0.03 . 2 . . 427 . . 18 LEU CD2 . 25745 1
198 . 1 . 1 18 18 LEU N N 15 121.912 0.013 . 1 . . 58 . . 18 LEU N . 25745 1
199 . 1 . 1 19 19 ILE H H 1 8.218 0.004 . 1 . . 17 . . 19 ILE H . 25745 1
200 . 1 . 1 19 19 ILE HA H 1 3.269 0.001 . 1 . . 570 . . 19 ILE HA . 25745 1
201 . 1 . 1 19 19 ILE HB H 1 1.763 0.004 . 1 . . 571 . . 19 ILE HB . 25745 1
202 . 1 . 1 19 19 ILE HG12 H 1 1.614 0.001 . 1 . . 572 . . 19 ILE HG12 . 25745 1
203 . 1 . 1 19 19 ILE HG21 H 1 0.663 0.002 . 1 . . 573 . . 19 ILE HG21 . 25745 1
204 . 1 . 1 19 19 ILE HG22 H 1 0.663 0.002 . 1 . . 573 . . 19 ILE HG22 . 25745 1
205 . 1 . 1 19 19 ILE HG23 H 1 0.663 0.002 . 1 . . 573 . . 19 ILE HG23 . 25745 1
206 . 1 . 1 19 19 ILE HD11 H 1 0.599 0.004 . 1 . . 574 . . 19 ILE HD11 . 25745 1
207 . 1 . 1 19 19 ILE HD12 H 1 0.599 0.004 . 1 . . 574 . . 19 ILE HD12 . 25745 1
208 . 1 . 1 19 19 ILE HD13 H 1 0.599 0.004 . 1 . . 574 . . 19 ILE HD13 . 25745 1
209 . 1 . 1 19 19 ILE C C 13 174.456 . . 1 . . 188 . . 19 ILE C . 25745 1
210 . 1 . 1 19 19 ILE CA C 13 62.916 0.002 . 1 . . 187 . . 19 ILE CA . 25745 1
211 . 1 . 1 19 19 ILE CB C 13 34.366 0.051 . 1 . . 252 . . 19 ILE CB . 25745 1
212 . 1 . 1 19 19 ILE CG1 C 13 27.881 0.02 . 1 . . 430 . . 19 ILE CG1 . 25745 1
213 . 1 . 1 19 19 ILE CG2 C 13 15.002 0.029 . 1 . . 428 . . 19 ILE CG2 . 25745 1
214 . 1 . 1 19 19 ILE CD1 C 13 9.869 0.017 . 1 . . 429 . . 19 ILE CD1 . 25745 1
215 . 1 . 1 19 19 ILE N N 15 119.554 0.016 . 1 . . 18 . . 19 ILE N . 25745 1
216 . 1 . 1 20 20 GLU H H 1 7.653 0.003 . 1 . . 63 . . 20 GLU H . 25745 1
217 . 1 . 1 20 20 GLU HA H 1 3.725 0.003 . 1 . . 575 . . 20 GLU HA . 25745 1
218 . 1 . 1 20 20 GLU HB2 H 1 1.997 0.003 . 2 . . 576 . . 20 GLU HB2 . 25745 1
219 . 1 . 1 20 20 GLU HB3 H 1 1.894 0.008 . 2 . . 577 . . 20 GLU HB3 . 25745 1
220 . 1 . 1 20 20 GLU HG2 H 1 2.213 0.009 . 2 . . 876 . . 20 GLU HG2 . 25745 1
221 . 1 . 1 20 20 GLU HG3 H 1 2.000 0.004 . 2 . . 877 . . 20 GLU HG3 . 25745 1
222 . 1 . 1 20 20 GLU C C 13 176.336 . . 1 . . 254 . . 20 GLU C . 25745 1
223 . 1 . 1 20 20 GLU CA C 13 56.936 0.057 . 1 . . 255 . . 20 GLU CA . 25745 1
224 . 1 . 1 20 20 GLU CB C 13 26.392 0.025 . 1 . . 253 . . 20 GLU CB . 25745 1
225 . 1 . 1 20 20 GLU CG C 13 33.451 0.043 . 1 . . 431 . . 20 GLU CG . 25745 1
226 . 1 . 1 20 20 GLU N N 15 117.916 0.012 . 1 . . 64 . . 20 GLU N . 25745 1
227 . 1 . 1 21 21 MET H H 1 7.515 0.002 . 1 . . 145 . . 21 MET H . 25745 1
228 . 1 . 1 21 21 MET HA H 1 3.824 0.006 . 1 . . 578 . . 21 MET HA . 25745 1
229 . 1 . 1 21 21 MET HB2 H 1 1.960 0.003 . 1 . . 579 . . 21 MET HB2 . 25745 1
230 . 1 . 1 21 21 MET HG2 H 1 2.211 0.011 . 2 . . 849 . . 21 MET HG2 . 25745 1
231 . 1 . 1 21 21 MET HG3 H 1 2.534 0.004 . 2 . . 850 . . 21 MET HG3 . 25745 1
232 . 1 . 1 21 21 MET HE1 H 1 1.549 0.002 . 1 . . 848 . . 21 MET HE1 . 25745 1
233 . 1 . 1 21 21 MET HE2 H 1 1.549 0.002 . 1 . . 848 . . 21 MET HE2 . 25745 1
234 . 1 . 1 21 21 MET HE3 H 1 1.549 0.002 . 1 . . 848 . . 21 MET HE3 . 25745 1
235 . 1 . 1 21 21 MET C C 13 176.169 . . 1 . . 380 . . 21 MET C . 25745 1
236 . 1 . 1 21 21 MET CA C 13 56.331 0.017 . 1 . . 379 . . 21 MET CA . 25745 1
237 . 1 . 1 21 21 MET CB C 13 27.355 0.052 . 1 . . 378 . . 21 MET CB . 25745 1
238 . 1 . 1 21 21 MET CG C 13 28.590 0.017 . 1 . . 432 . . 21 MET CG . 25745 1
239 . 1 . 1 21 21 MET CE C 13 13.220 0.009 . 1 . . 847 . . 21 MET CE . 25745 1
240 . 1 . 1 21 21 MET N N 15 120.409 0.013 . 1 . . 146 . . 21 MET N . 25745 1
241 . 1 . 1 22 22 LEU H H 1 8.279 0.004 . 1 . . 15 . . 22 LEU H . 25745 1
242 . 1 . 1 22 22 LEU HA H 1 3.591 0.005 . 1 . . 580 . . 22 LEU HA . 25745 1
243 . 1 . 1 22 22 LEU HB2 H 1 1.821 0.004 . 2 . . 581 . . 22 LEU HB2 . 25745 1
244 . 1 . 1 22 22 LEU HB3 H 1 0.822 0.004 . 2 . . 584 . . 22 LEU HB3 . 25745 1
245 . 1 . 1 22 22 LEU HG H 1 1.410 0.001 . 1 . . 864 . . 22 LEU HG . 25745 1
246 . 1 . 1 22 22 LEU HD11 H 1 0.245 0.003 . 2 . . 582 . . 22 LEU HD11 . 25745 1
247 . 1 . 1 22 22 LEU HD12 H 1 0.245 0.003 . 2 . . 582 . . 22 LEU HD12 . 25745 1
248 . 1 . 1 22 22 LEU HD13 H 1 0.245 0.003 . 2 . . 582 . . 22 LEU HD13 . 25745 1
249 . 1 . 1 22 22 LEU HD21 H 1 0.130 0.004 . 2 . . 583 . . 22 LEU HD21 . 25745 1
250 . 1 . 1 22 22 LEU HD22 H 1 0.130 0.004 . 2 . . 583 . . 22 LEU HD22 . 25745 1
251 . 1 . 1 22 22 LEU HD23 H 1 0.130 0.004 . 2 . . 583 . . 22 LEU HD23 . 25745 1
252 . 1 . 1 22 22 LEU C C 13 176.167 . . 1 . . 295 . . 22 LEU C . 25745 1
253 . 1 . 1 22 22 LEU CA C 13 54.888 0.001 . 1 . . 186 . . 22 LEU CA . 25745 1
254 . 1 . 1 22 22 LEU CB C 13 38.278 0.036 . 1 . . 294 . . 22 LEU CB . 25745 1
255 . 1 . 1 22 22 LEU CG C 13 23.426 0.052 . 1 . . 863 . . 22 LEU CG . 25745 1
256 . 1 . 1 22 22 LEU CD1 C 13 22.442 0.014 . 2 . . 434 . . 22 LEU CD1 . 25745 1
257 . 1 . 1 22 22 LEU CD2 C 13 19.004 0.01 . 2 . . 433 . . 22 LEU CD2 . 25745 1
258 . 1 . 1 22 22 LEU N N 15 123.911 0.018 . 1 . . 16 . . 22 LEU N . 25745 1
259 . 1 . 1 23 23 VAL H H 1 8.234 0.001 . 1 . . 87 . . 23 VAL H . 25745 1
260 . 1 . 1 23 23 VAL HA H 1 4.012 0.003 . 1 . . 585 . . 23 VAL HA . 25745 1
261 . 1 . 1 23 23 VAL HB H 1 1.953 0.004 . 1 . . 588 . . 23 VAL HB . 25745 1
262 . 1 . 1 23 23 VAL HG11 H 1 0.707 0.004 . 2 . . 586 . . 23 VAL HG11 . 25745 1
263 . 1 . 1 23 23 VAL HG12 H 1 0.707 0.004 . 2 . . 586 . . 23 VAL HG12 . 25745 1
264 . 1 . 1 23 23 VAL HG13 H 1 0.707 0.004 . 2 . . 586 . . 23 VAL HG13 . 25745 1
265 . 1 . 1 23 23 VAL HG21 H 1 0.716 0.004 . 2 . . 587 . . 23 VAL HG21 . 25745 1
266 . 1 . 1 23 23 VAL HG22 H 1 0.716 0.004 . 2 . . 587 . . 23 VAL HG22 . 25745 1
267 . 1 . 1 23 23 VAL HG23 H 1 0.716 0.004 . 2 . . 587 . . 23 VAL HG23 . 25745 1
268 . 1 . 1 23 23 VAL C C 13 178.170 . . 1 . . 298 . . 23 VAL C . 25745 1
269 . 1 . 1 23 23 VAL CA C 13 62.358 0.037 . 1 . . 297 . . 23 VAL CA . 25745 1
270 . 1 . 1 23 23 VAL CB C 13 29.218 0.047 . 1 . . 296 . . 23 VAL CB . 25745 1
271 . 1 . 1 23 23 VAL CG1 C 13 19.357 0.018 . 2 . . 435 . . 23 VAL CG1 . 25745 1
272 . 1 . 1 23 23 VAL CG2 C 13 18.453 0.002 . 2 . . 436 . . 23 VAL CG2 . 25745 1
273 . 1 . 1 23 23 VAL N N 15 120.864 0.007 . 1 . . 88 . . 23 VAL N . 25745 1
274 . 1 . 1 24 24 ARG H H 1 8.450 0.002 . 1 . . 27 . . 24 ARG H . 25745 1
275 . 1 . 1 24 24 ARG HA H 1 3.906 0.001 . 1 . . 589 . . 24 ARG HA . 25745 1
276 . 1 . 1 24 24 ARG HB2 H 1 1.815 0.004 . 1 . . 591 . . 24 ARG HB2 . 25745 1
277 . 1 . 1 24 24 ARG HG2 H 1 1.551 0.002 . 2 . . 592 . . 24 ARG HG2 . 25745 1
278 . 1 . 1 24 24 ARG HG3 H 1 1.482 . . 2 . . 593 . . 24 ARG HG3 . 25745 1
279 . 1 . 1 24 24 ARG HD2 H 1 3.031 0.007 . 1 . . 590 . . 24 ARG HD2 . 25745 1
280 . 1 . 1 24 24 ARG C C 13 175.876 . . 1 . . 205 . . 24 ARG C . 25745 1
281 . 1 . 1 24 24 ARG CA C 13 56.841 0.014 . 1 . . 204 . . 24 ARG CA . 25745 1
282 . 1 . 1 24 24 ARG CB C 13 27.359 . . 1 . . 203 . . 24 ARG CB . 25745 1
283 . 1 . 1 24 24 ARG CG C 13 24.683 0.03 . 1 . . 438 . . 24 ARG CG . 25745 1
284 . 1 . 1 24 24 ARG CD C 13 40.482 . . 1 . . 437 . . 24 ARG CD . 25745 1
285 . 1 . 1 24 24 ARG N N 15 122.848 0.014 . 1 . . 28 . . 24 ARG N . 25745 1
286 . 1 . 1 25 25 THR H H 1 7.888 0.002 . 1 . . 5 . . 25 THR H . 25745 1
287 . 1 . 1 25 25 THR HA H 1 4.205 0.001 . 1 . . 594 . . 25 THR HA . 25745 1
288 . 1 . 1 25 25 THR HB H 1 4.399 0.002 . 1 . . 595 . . 25 THR HB . 25745 1
289 . 1 . 1 25 25 THR HG21 H 1 1.119 0.003 . 1 . . 596 . . 25 THR HG21 . 25745 1
290 . 1 . 1 25 25 THR HG22 H 1 1.119 0.003 . 1 . . 596 . . 25 THR HG22 . 25745 1
291 . 1 . 1 25 25 THR HG23 H 1 1.119 0.003 . 1 . . 596 . . 25 THR HG23 . 25745 1
292 . 1 . 1 25 25 THR C C 13 172.886 . . 1 . . 172 . . 25 THR C . 25745 1
293 . 1 . 1 25 25 THR CA C 13 58.953 0.022 . 1 . . 171 . . 25 THR CA . 25745 1
294 . 1 . 1 25 25 THR CB C 13 67.256 0.095 . 1 . . 170 . . 25 THR CB . 25745 1
295 . 1 . 1 25 25 THR CG2 C 13 18.848 0.011 . 1 . . 439 . . 25 THR CG2 . 25745 1
296 . 1 . 1 25 25 THR N N 15 105.314 0.007 . 1 . . 6 . . 25 THR N . 25745 1
297 . 1 . 1 26 26 GLY H H 1 7.607 0.002 . 1 . . 115 . . 26 GLY H . 25745 1
298 . 1 . 1 26 26 GLY HA2 H 1 3.893 0.002 . 2 . . 597 . . 26 GLY HA2 . 25745 1
299 . 1 . 1 26 26 GLY HA3 H 1 3.784 0.003 . 2 . . 598 . . 26 GLY HA3 . 25745 1
300 . 1 . 1 26 26 GLY C C 13 172.151 . . 1 . . 336 . . 26 GLY C . 25745 1
301 . 1 . 1 26 26 GLY CA C 13 43.269 0.016 . 1 . . 337 . . 26 GLY CA . 25745 1
302 . 1 . 1 26 26 GLY N N 15 109.587 0.014 . 1 . . 116 . . 26 GLY N . 25745 1
303 . 1 . 1 27 27 GLN H H 1 8.350 0.001 . 1 . . 93 . . 27 GLN H . 25745 1
304 . 1 . 1 27 27 GLN HA H 1 3.952 0.002 . 1 . . 599 . . 27 GLN HA . 25745 1
305 . 1 . 1 27 27 GLN HB2 H 1 1.662 0.003 . 2 . . 602 . . 27 GLN HB2 . 25745 1
306 . 1 . 1 27 27 GLN HB3 H 1 1.971 0.006 . 2 . . 603 . . 27 GLN HB3 . 25745 1
307 . 1 . 1 27 27 GLN HG2 H 1 2.160 0.003 . 2 . . 600 . . 27 GLN HG2 . 25745 1
308 . 1 . 1 27 27 GLN HG3 H 1 2.026 0.004 . 2 . . 601 . . 27 GLN HG3 . 25745 1
309 . 1 . 1 27 27 GLN C C 13 172.895 . . 1 . . 305 . . 27 GLN C . 25745 1
310 . 1 . 1 27 27 GLN CA C 13 54.531 0.034 . 1 . . 306 . . 27 GLN CA . 25745 1
311 . 1 . 1 27 27 GLN CB C 13 26.821 0.008 . 1 . . 407 . . 27 GLN CB . 25745 1
312 . 1 . 1 27 27 GLN CG C 13 31.657 0.029 . 1 . . 440 . . 27 GLN CG . 25745 1
313 . 1 . 1 27 27 GLN N N 15 118.799 0.009 . 1 . . 94 . . 27 GLN N . 25745 1
314 . 1 . 1 28 28 ILE H H 1 6.963 0.003 . 1 . . 73 . . 28 ILE H . 25745 1
315 . 1 . 1 28 28 ILE HA H 1 4.347 0.004 . 1 . . 835 . . 28 ILE HA . 25745 1
316 . 1 . 1 28 28 ILE HB H 1 1.278 0.003 . 1 . . 834 . . 28 ILE HB . 25745 1
317 . 1 . 1 28 28 ILE HG12 H 1 1.108 0.003 . 2 . . 837 . . 28 ILE HG12 . 25745 1
318 . 1 . 1 28 28 ILE HG13 H 1 0.580 0.001 . 2 . . 904 . . 28 ILE HG13 . 25745 1
319 . 1 . 1 28 28 ILE HG21 H 1 0.589 0.003 . 1 . . 841 . . 28 ILE HG21 . 25745 1
320 . 1 . 1 28 28 ILE HG22 H 1 0.589 0.003 . 1 . . 841 . . 28 ILE HG22 . 25745 1
321 . 1 . 1 28 28 ILE HG23 H 1 0.589 0.003 . 1 . . 841 . . 28 ILE HG23 . 25745 1
322 . 1 . 1 28 28 ILE HD11 H 1 0.579 0.002 . 1 . . 840 . . 28 ILE HD11 . 25745 1
323 . 1 . 1 28 28 ILE HD12 H 1 0.579 0.002 . 1 . . 840 . . 28 ILE HD12 . 25745 1
324 . 1 . 1 28 28 ILE HD13 H 1 0.579 0.002 . 1 . . 840 . . 28 ILE HD13 . 25745 1
325 . 1 . 1 28 28 ILE C C 13 169.935 . . 1 . . 273 . . 28 ILE C . 25745 1
326 . 1 . 1 28 28 ILE CA C 13 54.765 0.023 . 1 . . 408 . . 28 ILE CA . 25745 1
327 . 1 . 1 28 28 ILE CB C 13 38.635 0.038 . 1 . . 272 . . 28 ILE CB . 25745 1
328 . 1 . 1 28 28 ILE CG1 C 13 24.264 0.047 . 1 . . 836 . . 28 ILE CG1 . 25745 1
329 . 1 . 1 28 28 ILE CG2 C 13 15.327 0.035 . 1 . . 838 . . 28 ILE CG2 . 25745 1
330 . 1 . 1 28 28 ILE CD1 C 13 12.318 0.02 . 1 . . 839 . . 28 ILE CD1 . 25745 1
331 . 1 . 1 28 28 ILE N N 15 115.792 0.013 . 1 . . 74 . . 28 ILE N . 25745 1
332 . 1 . 1 29 29 PRO HA H 1 4.223 0.003 . 1 . . 547 . . 29 PRO HA . 25745 1
333 . 1 . 1 29 29 PRO HB2 H 1 2.164 0.001 . 2 . . 857 . . 29 PRO HB2 . 25745 1
334 . 1 . 1 29 29 PRO HB3 H 1 1.763 0.003 . 2 . . 858 . . 29 PRO HB3 . 25745 1
335 . 1 . 1 29 29 PRO HG2 H 1 1.793 0.002 . 2 . . 855 . . 29 PRO HG2 . 25745 1
336 . 1 . 1 29 29 PRO HG3 H 1 1.742 0.002 . 2 . . 856 . . 29 PRO HG3 . 25745 1
337 . 1 . 1 29 29 PRO HD2 H 1 3.571 0.006 . 2 . . 853 . . 29 PRO HD2 . 25745 1
338 . 1 . 1 29 29 PRO HD3 H 1 3.319 0.003 . 2 . . 854 . . 29 PRO HD3 . 25745 1
339 . 1 . 1 29 29 PRO C C 13 174.313 . . 1 . . 445 . . 29 PRO C . 25745 1
340 . 1 . 1 29 29 PRO CA C 13 59.663 0.016 . 1 . . 409 . . 29 PRO CA . 25745 1
341 . 1 . 1 29 29 PRO CB C 13 29.869 0.014 . 1 . . 316 . . 29 PRO CB . 25745 1
342 . 1 . 1 29 29 PRO CG C 13 24.766 0.001 . 1 . . 444 . . 29 PRO CG . 25745 1
343 . 1 . 1 29 29 PRO CD C 13 48.417 0.022 . 1 . . 442 . . 29 PRO CD . 25745 1
344 . 1 . 1 30 30 ALA H H 1 8.556 0.002 . 1 . . 101 . . 30 ALA H . 25745 1
345 . 1 . 1 30 30 ALA HA H 1 3.739 0.002 . 1 . . 604 . . 30 ALA HA . 25745 1
346 . 1 . 1 30 30 ALA HB1 H 1 1.181 0.001 . 1 . . 605 . . 30 ALA HB1 . 25745 1
347 . 1 . 1 30 30 ALA HB2 H 1 1.181 0.001 . 1 . . 605 . . 30 ALA HB2 . 25745 1
348 . 1 . 1 30 30 ALA HB3 H 1 1.181 0.001 . 1 . . 605 . . 30 ALA HB3 . 25745 1
349 . 1 . 1 30 30 ALA C C 13 175.720 . . 1 . . 319 . . 30 ALA C . 25745 1
350 . 1 . 1 30 30 ALA CA C 13 51.761 0.015 . 1 . . 320 . . 30 ALA CA . 25745 1
351 . 1 . 1 30 30 ALA CB C 13 15.521 0.013 . 1 . . 318 . . 30 ALA CB . 25745 1
352 . 1 . 1 30 30 ALA N N 15 122.872 0.021 . 1 . . 102 . . 30 ALA N . 25745 1
353 . 1 . 1 31 31 ASP H H 1 8.020 0.004 . 1 . . 95 . . 31 ASP H . 25745 1
354 . 1 . 1 31 31 ASP HA H 1 4.369 0.002 . 1 . . 608 . . 31 ASP HA . 25745 1
355 . 1 . 1 31 31 ASP HB2 H 1 2.651 0.004 . 2 . . 609 . . 31 ASP HB2 . 25745 1
356 . 1 . 1 31 31 ASP HB3 H 1 2.345 0.002 . 2 . . 610 . . 31 ASP HB3 . 25745 1
357 . 1 . 1 31 31 ASP C C 13 173.074 . . 1 . . 309 . . 31 ASP C . 25745 1
358 . 1 . 1 31 31 ASP CA C 13 49.705 0.017 . 1 . . 308 . . 31 ASP CA . 25745 1
359 . 1 . 1 31 31 ASP CB C 13 36.535 0.024 . 1 . . 307 . . 31 ASP CB . 25745 1
360 . 1 . 1 31 31 ASP N N 15 113.381 0.009 . 1 . . 96 . . 31 ASP N . 25745 1
361 . 1 . 1 32 32 ALA H H 1 7.049 0.002 . 1 . . 85 . . 32 ALA H . 25745 1
362 . 1 . 1 32 32 ALA HA H 1 4.088 0.001 . 1 . . 606 . . 32 ALA HA . 25745 1
363 . 1 . 1 32 32 ALA HB1 H 1 1.196 0.001 . 1 . . 607 . . 32 ALA HB1 . 25745 1
364 . 1 . 1 32 32 ALA HB2 H 1 1.196 0.001 . 1 . . 607 . . 32 ALA HB2 . 25745 1
365 . 1 . 1 32 32 ALA HB3 H 1 1.196 0.001 . 1 . . 607 . . 32 ALA HB3 . 25745 1
366 . 1 . 1 32 32 ALA C C 13 174.605 . . 1 . . 293 . . 32 ALA C . 25745 1
367 . 1 . 1 32 32 ALA CA C 13 49.472 0.01 . 1 . . 292 . . 32 ALA CA . 25745 1
368 . 1 . 1 32 32 ALA CB C 13 17.117 0.011 . 1 . . 291 . . 32 ALA CB . 25745 1
369 . 1 . 1 32 32 ALA N N 15 121.809 0.009 . 1 . . 86 . . 32 ALA N . 25745 1
370 . 1 . 1 33 33 SER H H 1 9.110 0.002 . 1 . . 99 . . 33 SER H . 25745 1
371 . 1 . 1 33 33 SER HA H 1 4.168 0.01 . 1 . . 612 . . 33 SER HA . 25745 1
372 . 1 . 1 33 33 SER HB2 H 1 3.884 0.005 . 2 . . 611 . . 33 SER HB2 . 25745 1
373 . 1 . 1 33 33 SER HB3 H 1 4.142 0.001 . 2 . . 844 . . 33 SER HB3 . 25745 1
374 . 1 . 1 33 33 SER C C 13 171.437 . . 1 . . 315 . . 33 SER C . 25745 1
375 . 1 . 1 33 33 SER CA C 13 54.282 0.052 . 1 . . 314 . . 33 SER CA . 25745 1
376 . 1 . 1 33 33 SER CB C 13 62.080 0.03 . 1 . . 313 . . 33 SER CB . 25745 1
377 . 1 . 1 33 33 SER N N 15 118.137 0.024 . 1 . . 100 . . 33 SER N . 25745 1
378 . 1 . 1 34 34 ASP H H 1 8.790 0.004 . 1 . . 65 . . 34 ASP H . 25745 1
379 . 1 . 1 34 34 ASP HA H 1 4.074 0.003 . 1 . . 613 . . 34 ASP HA . 25745 1
380 . 1 . 1 34 34 ASP HB2 H 1 2.494 0.003 . 2 . . 874 . . 34 ASP HB2 . 25745 1
381 . 1 . 1 34 34 ASP HB3 H 1 2.486 0.008 . 2 . . 875 . . 34 ASP HB3 . 25745 1
382 . 1 . 1 34 34 ASP C C 13 176.305 . . 1 . . 257 . . 34 ASP C . 25745 1
383 . 1 . 1 34 34 ASP CA C 13 55.377 0.047 . 1 . . 256 . . 34 ASP CA . 25745 1
384 . 1 . 1 34 34 ASP CB C 13 36.960 0.005 . 1 . . 268 . . 34 ASP CB . 25745 1
385 . 1 . 1 34 34 ASP N N 15 121.259 0.016 . 1 . . 66 . . 34 ASP N . 25745 1
386 . 1 . 1 35 35 VAL H H 1 7.794 0.002 . 1 . . 71 . . 35 VAL H . 25745 1
387 . 1 . 1 35 35 VAL HA H 1 3.497 0.003 . 1 . . 614 . . 35 VAL HA . 25745 1
388 . 1 . 1 35 35 VAL HB H 1 1.691 0.006 . 1 . . 615 . . 35 VAL HB . 25745 1
389 . 1 . 1 35 35 VAL HG11 H 1 0.733 0.001 . 2 . . 616 . . 35 VAL HG11 . 25745 1
390 . 1 . 1 35 35 VAL HG12 H 1 0.733 0.001 . 2 . . 616 . . 35 VAL HG12 . 25745 1
391 . 1 . 1 35 35 VAL HG13 H 1 0.733 0.001 . 2 . . 616 . . 35 VAL HG13 . 25745 1
392 . 1 . 1 35 35 VAL HG21 H 1 0.842 0.001 . 2 . . 617 . . 35 VAL HG21 . 25745 1
393 . 1 . 1 35 35 VAL HG22 H 1 0.842 0.001 . 2 . . 617 . . 35 VAL HG22 . 25745 1
394 . 1 . 1 35 35 VAL HG23 H 1 0.842 0.001 . 2 . . 617 . . 35 VAL HG23 . 25745 1
395 . 1 . 1 35 35 VAL C C 13 174.814 . . 1 . . 271 . . 35 VAL C . 25745 1
396 . 1 . 1 35 35 VAL CA C 13 63.236 0.024 . 1 . . 270 . . 35 VAL CA . 25745 1
397 . 1 . 1 35 35 VAL CB C 13 29.363 0.034 . 1 . . 269 . . 35 VAL CB . 25745 1
398 . 1 . 1 35 35 VAL CG1 C 13 17.857 0.033 . 2 . . 447 . . 35 VAL CG1 . 25745 1
399 . 1 . 1 35 35 VAL CG2 C 13 19.756 0.013 . 2 . . 446 . . 35 VAL CG2 . 25745 1
400 . 1 . 1 35 35 VAL N N 15 119.462 0.014 . 1 . . 72 . . 35 VAL N . 25745 1
401 . 1 . 1 36 36 ASP H H 1 7.511 0.003 . 1 . . 103 . . 36 ASP H . 25745 1
402 . 1 . 1 36 36 ASP HA H 1 4.279 0.003 . 1 . . 618 . . 36 ASP HA . 25745 1
403 . 1 . 1 36 36 ASP HB2 H 1 2.650 0.004 . 2 . . 619 . . 36 ASP HB2 . 25745 1
404 . 1 . 1 36 36 ASP HB3 H 1 2.315 0.003 . 2 . . 620 . . 36 ASP HB3 . 25745 1
405 . 1 . 1 36 36 ASP C C 13 177.702 . . 1 . . 323 . . 36 ASP C . 25745 1
406 . 1 . 1 36 36 ASP CA C 13 54.554 0.009 . 1 . . 322 . . 36 ASP CA . 25745 1
407 . 1 . 1 36 36 ASP CB C 13 37.044 0.004 . 1 . . 321 . . 36 ASP CB . 25745 1
408 . 1 . 1 36 36 ASP N N 15 121.543 0.013 . 1 . . 104 . . 36 ASP N . 25745 1
409 . 1 . 1 37 37 LYS H H 1 8.542 0.002 . 1 . . 147 . . 37 LYS H . 25745 1
410 . 1 . 1 37 37 LYS HA H 1 3.588 0.002 . 1 . . 621 . . 37 LYS HA . 25745 1
411 . 1 . 1 37 37 LYS HB2 H 1 1.818 0.002 . 1 . . 622 . . 37 LYS HB2 . 25745 1
412 . 1 . 1 37 37 LYS HG2 H 1 0.829 0.003 . 1 . . 623 . . 37 LYS HG2 . 25745 1
413 . 1 . 1 37 37 LYS HD2 H 1 1.522 0.023 . 2 . . 624 . . 37 LYS HD2 . 25745 1
414 . 1 . 1 37 37 LYS HD3 H 1 1.409 0.002 . 2 . . 625 . . 37 LYS HD3 . 25745 1
415 . 1 . 1 37 37 LYS C C 13 174.496 . . 1 . . 382 . . 37 LYS C . 25745 1
416 . 1 . 1 37 37 LYS CA C 13 57.990 0.019 . 1 . . 381 . . 37 LYS CA . 25745 1
417 . 1 . 1 37 37 LYS CB C 13 29.888 . . 1 . . 182 . . 37 LYS CB . 25745 1
418 . 1 . 1 37 37 LYS CG C 13 24.548 . . 1 . . 448 . . 37 LYS CG . 25745 1
419 . 1 . 1 37 37 LYS CD C 13 27.388 . . 1 . . 449 . . 37 LYS CD . 25745 1
420 . 1 . 1 37 37 LYS N N 15 121.843 0.023 . 1 . . 148 . . 37 LYS N . 25745 1
421 . 1 . 1 38 38 ARG H H 1 7.591 0.003 . 1 . . 13 . . 38 ARG H . 25745 1
422 . 1 . 1 38 38 ARG HA H 1 3.760 0.003 . 1 . . 626 . . 38 ARG HA . 25745 1
423 . 1 . 1 38 38 ARG HB2 H 1 1.807 0.007 . 2 . . 629 . . 38 ARG HB2 . 25745 1
424 . 1 . 1 38 38 ARG HB3 H 1 1.755 0.004 . 2 . . 630 . . 38 ARG HB3 . 25745 1
425 . 1 . 1 38 38 ARG HG2 H 1 1.545 . . 2 . . 631 . . 38 ARG HG2 . 25745 1
426 . 1 . 1 38 38 ARG HG3 H 1 1.461 . . 2 . . 632 . . 38 ARG HG3 . 25745 1
427 . 1 . 1 38 38 ARG HD2 H 1 2.946 . . 2 . . 627 . . 38 ARG HD2 . 25745 1
428 . 1 . 1 38 38 ARG HD3 H 1 3.009 . . 2 . . 628 . . 38 ARG HD3 . 25745 1
429 . 1 . 1 38 38 ARG C C 13 176.190 . . 1 . . 185 . . 38 ARG C . 25745 1
430 . 1 . 1 38 38 ARG CA C 13 56.662 . . 1 . . 184 . . 38 ARG CA . 25745 1
431 . 1 . 1 38 38 ARG CB C 13 26.104 . . 1 . . 183 . . 38 ARG CB . 25745 1
432 . 1 . 1 38 38 ARG CG C 13 24.532 . . 1 . . 451 . . 38 ARG CG . 25745 1
433 . 1 . 1 38 38 ARG CD C 13 39.949 0.003 . 1 . . 450 . . 38 ARG CD . 25745 1
434 . 1 . 1 38 38 ARG N N 15 118.495 0.015 . 1 . . 14 . . 38 ARG N . 25745 1
435 . 1 . 1 39 39 ILE H H 1 7.887 0.002 . 1 . . 131 . . 39 ILE H . 25745 1
436 . 1 . 1 39 39 ILE HA H 1 3.560 0.006 . 1 . . 633 . . 39 ILE HA . 25745 1
437 . 1 . 1 39 39 ILE HB H 1 1.645 0.005 . 1 . . 634 . . 39 ILE HB . 25745 1
438 . 1 . 1 39 39 ILE HG12 H 1 1.573 0.003 . 2 . . 637 . . 39 ILE HG12 . 25745 1
439 . 1 . 1 39 39 ILE HG13 H 1 0.918 0.003 . 2 . . 899 . . 39 ILE HG13 . 25745 1
440 . 1 . 1 39 39 ILE HG21 H 1 0.713 0.013 . 1 . . 635 . . 39 ILE HG21 . 25745 1
441 . 1 . 1 39 39 ILE HG22 H 1 0.713 0.013 . 1 . . 635 . . 39 ILE HG22 . 25745 1
442 . 1 . 1 39 39 ILE HG23 H 1 0.713 0.013 . 1 . . 635 . . 39 ILE HG23 . 25745 1
443 . 1 . 1 39 39 ILE HD11 H 1 0.672 0.014 . 1 . . 636 . . 39 ILE HD11 . 25745 1
444 . 1 . 1 39 39 ILE HD12 H 1 0.672 0.014 . 1 . . 636 . . 39 ILE HD12 . 25745 1
445 . 1 . 1 39 39 ILE HD13 H 1 0.672 0.014 . 1 . . 636 . . 39 ILE HD13 . 25745 1
446 . 1 . 1 39 39 ILE C C 13 175.705 . . 1 . . 360 . . 39 ILE C . 25745 1
447 . 1 . 1 39 39 ILE CA C 13 62.211 0.004 . 1 . . 359 . . 39 ILE CA . 25745 1
448 . 1 . 1 39 39 ILE CB C 13 35.593 0.061 . 1 . . 358 . . 39 ILE CB . 25745 1
449 . 1 . 1 39 39 ILE CG1 C 13 26.627 0.011 . 1 . . 453 . . 39 ILE CG1 . 25745 1
450 . 1 . 1 39 39 ILE CG2 C 13 14.052 0.022 . 1 . . 454 . . 39 ILE CG2 . 25745 1
451 . 1 . 1 39 39 ILE CD1 C 13 10.565 0.018 . 1 . . 452 . . 39 ILE CD1 . 25745 1
452 . 1 . 1 39 39 ILE N N 15 120.778 0.017 . 1 . . 132 . . 39 ILE N . 25745 1
453 . 1 . 1 40 40 ALA H H 1 7.688 0.003 . 1 . . 51 . . 40 ALA H . 25745 1
454 . 1 . 1 40 40 ALA HA H 1 3.907 0.003 . 1 . . 639 . . 40 ALA HA . 25745 1
455 . 1 . 1 40 40 ALA HB1 H 1 1.272 0.006 . 1 . . 638 . . 40 ALA HB1 . 25745 1
456 . 1 . 1 40 40 ALA HB2 H 1 1.272 0.006 . 1 . . 638 . . 40 ALA HB2 . 25745 1
457 . 1 . 1 40 40 ALA HB3 H 1 1.272 0.006 . 1 . . 638 . . 40 ALA HB3 . 25745 1
458 . 1 . 1 40 40 ALA C C 13 177.965 . . 1 . . 239 . . 40 ALA C . 25745 1
459 . 1 . 1 40 40 ALA CA C 13 52.100 0.05 . 1 . . 238 . . 40 ALA CA . 25745 1
460 . 1 . 1 40 40 ALA CB C 13 15.688 0.008 . 1 . . 237 . . 40 ALA CB . 25745 1
461 . 1 . 1 40 40 ALA N N 15 121.774 0.01 . 1 . . 52 . . 40 ALA N . 25745 1
462 . 1 . 1 41 41 LEU H H 1 8.202 0.003 . 1 . . 19 . . 41 LEU H . 25745 1
463 . 1 . 1 41 41 LEU HA H 1 3.788 0.008 . 1 . . 640 . . 41 LEU HA . 25745 1
464 . 1 . 1 41 41 LEU HB2 H 1 1.836 0.006 . 2 . . 641 . . 41 LEU HB2 . 25745 1
465 . 1 . 1 41 41 LEU HB3 H 1 1.318 0.003 . 2 . . 865 . . 41 LEU HB3 . 25745 1
466 . 1 . 1 41 41 LEU HG H 1 1.446 0.003 . 1 . . 866 . . 41 LEU HG . 25745 1
467 . 1 . 1 41 41 LEU HD11 H 1 0.728 0.007 . 2 . . 642 . . 41 LEU HD11 . 25745 1
468 . 1 . 1 41 41 LEU HD12 H 1 0.728 0.007 . 2 . . 642 . . 41 LEU HD12 . 25745 1
469 . 1 . 1 41 41 LEU HD13 H 1 0.728 0.007 . 2 . . 642 . . 41 LEU HD13 . 25745 1
470 . 1 . 1 41 41 LEU HD21 H 1 0.717 0.001 . 2 . . 900 . . 41 LEU HD21 . 25745 1
471 . 1 . 1 41 41 LEU HD22 H 1 0.717 0.001 . 2 . . 900 . . 41 LEU HD22 . 25745 1
472 . 1 . 1 41 41 LEU HD23 H 1 0.717 0.001 . 2 . . 900 . . 41 LEU HD23 . 25745 1
473 . 1 . 1 41 41 LEU C C 13 174.973 . . 1 . . 191 . . 41 LEU C . 25745 1
474 . 1 . 1 41 41 LEU CA C 13 55.454 0.028 . 1 . . 190 . . 41 LEU CA . 25745 1
475 . 1 . 1 41 41 LEU CB C 13 38.366 0.024 . 1 . . 189 . . 41 LEU CB . 25745 1
476 . 1 . 1 41 41 LEU CD1 C 13 22.283 0.011 . 1 . . 455 . . 41 LEU CD1 . 25745 1
477 . 1 . 1 41 41 LEU CD2 C 13 22.283 0.011 . 1 . . 456 . . 41 LEU CD2 . 25745 1
478 . 1 . 1 41 41 LEU N N 15 121.144 0.013 . 1 . . 20 . . 41 LEU N . 25745 1
479 . 1 . 1 42 42 GLU H H 1 8.122 0.006 . 1 . . 119 . . 42 GLU H . 25745 1
480 . 1 . 1 42 42 GLU HA H 1 3.731 0.004 . 1 . . 643 . . 42 GLU HA . 25745 1
481 . 1 . 1 42 42 GLU HB2 H 1 1.996 0.002 . 2 . . 646 . . 42 GLU HB2 . 25745 1
482 . 1 . 1 42 42 GLU HB3 H 1 1.900 0.004 . 2 . . 647 . . 42 GLU HB3 . 25745 1
483 . 1 . 1 42 42 GLU HG2 H 1 2.305 0.007 . 2 . . 644 . . 42 GLU HG2 . 25745 1
484 . 1 . 1 42 42 GLU HG3 H 1 2.062 0.03 . 2 . . 645 . . 42 GLU HG3 . 25745 1
485 . 1 . 1 42 42 GLU C C 13 176.729 . . 1 . . 342 . . 42 GLU C . 25745 1
486 . 1 . 1 42 42 GLU CA C 13 57.146 0.048 . 1 . . 341 . . 42 GLU CA . 25745 1
487 . 1 . 1 42 42 GLU CB C 13 26.240 0.029 . 1 . . 226 . . 42 GLU CB . 25745 1
488 . 1 . 1 42 42 GLU CG C 13 33.787 0.104 . 1 . . 457 . . 42 GLU CG . 25745 1
489 . 1 . 1 42 42 GLU N N 15 118.871 0.013 . 1 . . 120 . . 42 GLU N . 25745 1
490 . 1 . 1 43 43 ARG H H 1 7.974 0.003 . 1 . . 43 . . 43 ARG H . 25745 1
491 . 1 . 1 43 43 ARG HA H 1 3.918 0.004 . 1 . . 648 . . 43 ARG HA . 25745 1
492 . 1 . 1 43 43 ARG HB2 H 1 1.762 0.004 . 1 . . 650 . . 43 ARG HB2 . 25745 1
493 . 1 . 1 43 43 ARG HG2 H 1 1.616 0.005 . 2 . . 651 . . 43 ARG HG2 . 25745 1
494 . 1 . 1 43 43 ARG HG3 H 1 1.475 0.001 . 2 . . 652 . . 43 ARG HG3 . 25745 1
495 . 1 . 1 43 43 ARG HD2 H 1 3.004 0.003 . 1 . . 649 . . 43 ARG HD2 . 25745 1
496 . 1 . 1 43 43 ARG C C 13 175.763 . . 1 . . 228 . . 43 ARG C . 25745 1
497 . 1 . 1 43 43 ARG CA C 13 56.414 0.023 . 1 . . 227 . . 43 ARG CA . 25745 1
498 . 1 . 1 43 43 ARG CB C 13 27.276 . . 1 . . 354 . . 43 ARG CB . 25745 1
499 . 1 . 1 43 43 ARG CG C 13 24.402 0.032 . 1 . . 459 . . 43 ARG CG . 25745 1
500 . 1 . 1 43 43 ARG CD C 13 40.636 0.015 . 1 . . 458 . . 43 ARG CD . 25745 1
501 . 1 . 1 43 43 ARG N N 15 118.933 0.019 . 1 . . 44 . . 43 ARG N . 25745 1
502 . 1 . 1 44 44 TYR H H 1 7.977 0.003 . 1 . . 129 . . 44 TYR H . 25745 1
503 . 1 . 1 44 44 TYR HA H 1 4.002 0.006 . 1 . . 653 . . 44 TYR HA . 25745 1
504 . 1 . 1 44 44 TYR HB2 H 1 3.089 0.004 . 2 . . 654 . . 44 TYR HB2 . 25745 1
505 . 1 . 1 44 44 TYR HB3 H 1 2.930 0.003 . 2 . . 655 . . 44 TYR HB3 . 25745 1
506 . 1 . 1 44 44 TYR HD1 H 1 6.826 0.004 . 1 . . 888 . . 44 TYR HD1 . 25745 1
507 . 1 . 1 44 44 TYR HD2 H 1 6.826 0.004 . 1 . . 887 . . 44 TYR HD2 . 25745 1
508 . 1 . 1 44 44 TYR HE1 H 1 6.504 0.002 . 1 . . 890 . . 44 TYR HE1 . 25745 1
509 . 1 . 1 44 44 TYR HE2 H 1 6.504 0.002 . 1 . . 889 . . 44 TYR HE2 . 25745 1
510 . 1 . 1 44 44 TYR C C 13 175.013 . . 1 . . 357 . . 44 TYR C . 25745 1
511 . 1 . 1 44 44 TYR CA C 13 58.515 0.027 . 1 . . 356 . . 44 TYR CA . 25745 1
512 . 1 . 1 44 44 TYR CB C 13 35.510 0.025 . 1 . . 355 . . 44 TYR CB . 25745 1
513 . 1 . 1 44 44 TYR N N 15 121.528 0.012 . 1 . . 130 . . 44 TYR N . 25745 1
514 . 1 . 1 45 45 LEU H H 1 8.438 0.003 . 1 . . 45 . . 45 LEU H . 25745 1
515 . 1 . 1 45 45 LEU HA H 1 3.614 0.003 . 1 . . 656 . . 45 LEU HA . 25745 1
516 . 1 . 1 45 45 LEU HB2 H 1 1.753 0.003 . 2 . . 867 . . 45 LEU HB2 . 25745 1
517 . 1 . 1 45 45 LEU HB3 H 1 1.232 0.006 . 2 . . 868 . . 45 LEU HB3 . 25745 1
518 . 1 . 1 45 45 LEU HG H 1 1.830 0.003 . 1 . . 870 . . 45 LEU HG . 25745 1
519 . 1 . 1 45 45 LEU HD11 H 1 0.704 0.001 . 2 . . 657 . . 45 LEU HD11 . 25745 1
520 . 1 . 1 45 45 LEU HD12 H 1 0.704 0.001 . 2 . . 657 . . 45 LEU HD12 . 25745 1
521 . 1 . 1 45 45 LEU HD13 H 1 0.704 0.001 . 2 . . 657 . . 45 LEU HD13 . 25745 1
522 . 1 . 1 45 45 LEU HD21 H 1 0.713 0.002 . 2 . . 658 . . 45 LEU HD21 . 25745 1
523 . 1 . 1 45 45 LEU HD22 H 1 0.713 0.002 . 2 . . 658 . . 45 LEU HD22 . 25745 1
524 . 1 . 1 45 45 LEU HD23 H 1 0.713 0.002 . 2 . . 658 . . 45 LEU HD23 . 25745 1
525 . 1 . 1 45 45 LEU C C 13 176.484 . . 1 . . 230 . . 45 LEU C . 25745 1
526 . 1 . 1 45 45 LEU CA C 13 54.742 0.015 . 1 . . 231 . . 45 LEU CA . 25745 1
527 . 1 . 1 45 45 LEU CB C 13 38.650 0.023 . 1 . . 229 . . 45 LEU CB . 25745 1
528 . 1 . 1 45 45 LEU CG C 13 24.076 . . 1 . . 869 . . 45 LEU CG . 25745 1
529 . 1 . 1 45 45 LEU CD1 C 13 23.178 0.002 . 2 . . 460 . . 45 LEU CD1 . 25745 1
530 . 1 . 1 45 45 LEU CD2 C 13 19.637 0.035 . 2 . . 461 . . 45 LEU CD2 . 25745 1
531 . 1 . 1 45 45 LEU N N 15 119.074 0.012 . 1 . . 46 . . 45 LEU N . 25745 1
532 . 1 . 1 46 46 GLU H H 1 7.939 0.002 . 1 . . 29 . . 46 GLU H . 25745 1
533 . 1 . 1 46 46 GLU HA H 1 3.769 0.004 . 1 . . 659 . . 46 GLU HA . 25745 1
534 . 1 . 1 46 46 GLU HB2 H 1 1.965 0.003 . 2 . . 662 . . 46 GLU HB2 . 25745 1
535 . 1 . 1 46 46 GLU HB3 H 1 1.858 0.005 . 2 . . 663 . . 46 GLU HB3 . 25745 1
536 . 1 . 1 46 46 GLU HG2 H 1 2.177 0.006 . 2 . . 660 . . 46 GLU HG2 . 25745 1
537 . 1 . 1 46 46 GLU HG3 H 1 2.049 0.004 . 2 . . 661 . . 46 GLU HG3 . 25745 1
538 . 1 . 1 46 46 GLU C C 13 175.991 . . 1 . . 207 . . 46 GLU C . 25745 1
539 . 1 . 1 46 46 GLU CA C 13 56.397 0.015 . 1 . . 208 . . 46 GLU CA . 25745 1
540 . 1 . 1 46 46 GLU CB C 13 26.669 0.014 . 1 . . 206 . . 46 GLU CB . 25745 1
541 . 1 . 1 46 46 GLU CG C 13 33.411 . . 1 . . 462 . . 46 GLU CG . 25745 1
542 . 1 . 1 46 46 GLU N N 15 119.014 0.011 . 1 . . 30 . . 46 GLU N . 25745 1
543 . 1 . 1 47 47 GLU H H 1 7.757 0.003 . 1 . . 1 . . 47 GLU H . 25745 1
544 . 1 . 1 47 47 GLU HA H 1 3.792 0.003 . 1 . . 664 . . 47 GLU HA . 25745 1
545 . 1 . 1 47 47 GLU HB2 H 1 1.819 0.027 . 2 . . 880 . . 47 GLU HB2 . 25745 1
546 . 1 . 1 47 47 GLU HB3 H 1 1.850 . . 2 . . 881 . . 47 GLU HB3 . 25745 1
547 . 1 . 1 47 47 GLU HG2 H 1 2.013 0.003 . 2 . . 878 . . 47 GLU HG2 . 25745 1
548 . 1 . 1 47 47 GLU HG3 H 1 2.139 0.001 . 2 . . 879 . . 47 GLU HG3 . 25745 1
549 . 1 . 1 47 47 GLU C C 13 175.861 . . 1 . . 395 . . 47 GLU C . 25745 1
550 . 1 . 1 47 47 GLU CA C 13 55.801 0.034 . 1 . . 166 . . 47 GLU CA . 25745 1
551 . 1 . 1 47 47 GLU CB C 13 26.260 . . 1 . . 165 . . 47 GLU CB . 25745 1
552 . 1 . 1 47 47 GLU CG C 13 33.402 . . 1 . . 463 . . 47 GLU CG . 25745 1
553 . 1 . 1 47 47 GLU N N 15 118.911 0.014 . 1 . . 2 . . 47 GLU N . 25745 1
554 . 1 . 1 48 48 LYS H H 1 7.711 0.002 . 1 . . 158 . . 48 LYS H . 25745 1
555 . 1 . 1 48 48 LYS HA H 1 3.716 0.003 . 1 . . 665 . . 48 LYS HA . 25745 1
556 . 1 . 1 48 48 LYS HB2 H 1 1.379 0.005 . 2 . . 666 . . 48 LYS HB2 . 25745 1
557 . 1 . 1 48 48 LYS HB3 H 1 1.391 0.006 . 2 . . 667 . . 48 LYS HB3 . 25745 1
558 . 1 . 1 48 48 LYS HG2 H 1 0.927 0.005 . 1 . . 668 . . 48 LYS HG2 . 25745 1
559 . 1 . 1 48 48 LYS HD2 H 1 1.232 0.001 . 1 . . 669 . . 48 LYS HD2 . 25745 1
560 . 1 . 1 48 48 LYS C C 13 176.172 . . 1 . . 398 . . 48 LYS C . 25745 1
561 . 1 . 1 48 48 LYS CA C 13 54.976 0.012 . 1 . . 397 . . 48 LYS CA . 25745 1
562 . 1 . 1 48 48 LYS CB C 13 29.055 0.001 . 1 . . 396 . . 48 LYS CB . 25745 1
563 . 1 . 1 48 48 LYS CG C 13 21.321 0.016 . 1 . . 464 . . 48 LYS CG . 25745 1
564 . 1 . 1 48 48 LYS CD C 13 25.669 0.011 . 1 . . 466 . . 48 LYS CD . 25745 1
565 . 1 . 1 48 48 LYS CE C 13 39.103 . . 1 . . 465 . . 48 LYS CE . 25745 1
566 . 1 . 1 48 48 LYS N N 15 119.567 0.029 . 1 . . 157 . . 48 LYS N . 25745 1
567 . 1 . 1 49 49 ILE H H 1 7.706 0.003 . 1 . . 137 . . 49 ILE H . 25745 1
568 . 1 . 1 49 49 ILE HA H 1 3.664 0.002 . 1 . . 670 . . 49 ILE HA . 25745 1
569 . 1 . 1 49 49 ILE HB H 1 1.744 0.001 . 1 . . 671 . . 49 ILE HB . 25745 1
570 . 1 . 1 49 49 ILE HG12 H 1 1.395 0.002 . 2 . . 672 . . 49 ILE HG12 . 25745 1
571 . 1 . 1 49 49 ILE HG13 H 1 0.961 0.006 . 2 . . 905 . . 49 ILE HG13 . 25745 1
572 . 1 . 1 49 49 ILE HG21 H 1 0.686 0.003 . 1 . . 673 . . 49 ILE HG21 . 25745 1
573 . 1 . 1 49 49 ILE HG22 H 1 0.686 0.003 . 1 . . 673 . . 49 ILE HG22 . 25745 1
574 . 1 . 1 49 49 ILE HG23 H 1 0.686 0.003 . 1 . . 673 . . 49 ILE HG23 . 25745 1
575 . 1 . 1 49 49 ILE HD11 H 1 0.623 0.006 . 1 . . 674 . . 49 ILE HD11 . 25745 1
576 . 1 . 1 49 49 ILE HD12 H 1 0.623 0.006 . 1 . . 674 . . 49 ILE HD12 . 25745 1
577 . 1 . 1 49 49 ILE HD13 H 1 0.623 0.006 . 1 . . 674 . . 49 ILE HD13 . 25745 1
578 . 1 . 1 49 49 ILE C C 13 175.404 . . 1 . . 369 . . 49 ILE C . 25745 1
579 . 1 . 1 49 49 ILE CA C 13 60.618 0.037 . 1 . . 368 . . 49 ILE CA . 25745 1
580 . 1 . 1 49 49 ILE CB C 13 35.160 0.023 . 1 . . 367 . . 49 ILE CB . 25745 1
581 . 1 . 1 49 49 ILE CG1 C 13 25.823 0.012 . 1 . . 467 . . 49 ILE CG1 . 25745 1
582 . 1 . 1 49 49 ILE CG2 C 13 14.592 0.03 . 1 . . 468 . . 49 ILE CG2 . 25745 1
583 . 1 . 1 49 49 ILE CD1 C 13 10.131 0.021 . 1 . . 469 . . 49 ILE CD1 . 25745 1
584 . 1 . 1 49 49 ILE N N 15 119.548 0.008 . 1 . . 138 . . 49 ILE N . 25745 1
585 . 1 . 1 50 50 ARG H H 1 7.850 0.003 . 1 . . 117 . . 50 ARG H . 25745 1
586 . 1 . 1 50 50 ARG HA H 1 3.921 0.004 . 1 . . 675 . . 50 ARG HA . 25745 1
587 . 1 . 1 50 50 ARG HB2 H 1 1.668 0.003 . 1 . . 677 . . 50 ARG HB2 . 25745 1
588 . 1 . 1 50 50 ARG HG2 H 1 1.498 0.003 . 2 . . 678 . . 50 ARG HG2 . 25745 1
589 . 1 . 1 50 50 ARG HG3 H 1 1.408 0.002 . 2 . . 679 . . 50 ARG HG3 . 25745 1
590 . 1 . 1 50 50 ARG HD2 H 1 2.964 0.005 . 1 . . 676 . . 50 ARG HD2 . 25745 1
591 . 1 . 1 50 50 ARG C C 13 174.964 . . 1 . . 340 . . 50 ARG C . 25745 1
592 . 1 . 1 50 50 ARG CA C 13 55.256 0.006 . 1 . . 339 . . 50 ARG CA . 25745 1
593 . 1 . 1 50 50 ARG CB C 13 27.521 0.008 . 1 . . 338 . . 50 ARG CB . 25745 1
594 . 1 . 1 50 50 ARG CG C 13 24.630 . . 1 . . 471 . . 50 ARG CG . 25745 1
595 . 1 . 1 50 50 ARG CD C 13 40.512 0.011 . 1 . . 470 . . 50 ARG CD . 25745 1
596 . 1 . 1 50 50 ARG N N 15 120.898 0.019 . 1 . . 118 . . 50 ARG N . 25745 1
597 . 1 . 1 51 51 SER H H 1 7.938 0.003 . 1 . . 41 . . 51 SER H . 25745 1
598 . 1 . 1 51 51 SER HA H 1 4.148 0.001 . 1 . . 680 . . 51 SER HA . 25745 1
599 . 1 . 1 51 51 SER HB2 H 1 3.732 0.007 . 2 . . 845 . . 51 SER HB2 . 25745 1
600 . 1 . 1 51 51 SER HB3 H 1 3.692 0.004 . 2 . . 846 . . 51 SER HB3 . 25745 1
601 . 1 . 1 51 51 SER C C 13 172.480 . . 1 . . 383 . . 51 SER C . 25745 1
602 . 1 . 1 51 51 SER CA C 13 56.666 0.011 . 1 . . 225 . . 51 SER CA . 25745 1
603 . 1 . 1 51 51 SER CB C 13 60.850 0.019 . 1 . . 224 . . 51 SER CB . 25745 1
604 . 1 . 1 51 51 SER N N 15 113.995 0.009 . 1 . . 42 . . 51 SER N . 25745 1
605 . 1 . 1 52 52 GLY H H 1 7.825 0.005 . 1 . . 149 . . 52 GLY H . 25745 1
606 . 1 . 1 52 52 GLY HA2 H 1 3.706 0.007 . 1 . . 681 . . 52 GLY HA2 . 25745 1
607 . 1 . 1 52 52 GLY C C 13 171.142 . . 1 . . 384 . . 52 GLY C . 25745 1
608 . 1 . 1 52 52 GLY CA C 13 42.591 . . 1 . . 385 . . 52 GLY CA . 25745 1
609 . 1 . 1 52 52 GLY N N 15 109.741 0.006 . 1 . . 150 . . 52 GLY N . 25745 1
610 . 1 . 1 53 53 PHE H H 1 7.836 0.001 . 1 . . 121 . . 53 PHE H . 25745 1
611 . 1 . 1 53 53 PHE HA H 1 4.352 0.002 . 1 . . 682 . . 53 PHE HA . 25745 1
612 . 1 . 1 53 53 PHE HB2 H 1 2.844 0.005 . 1 . . 683 . . 53 PHE HB2 . 25745 1
613 . 1 . 1 53 53 PHE HD1 H 1 7.027 0.001 . 1 . . 898 . . 53 PHE HD1 . 25745 1
614 . 1 . 1 53 53 PHE HD2 H 1 7.027 0.001 . 1 . . 897 . . 53 PHE HD2 . 25745 1
615 . 1 . 1 53 53 PHE HE1 H 1 7.079 . . 1 . . 896 . . 53 PHE HE1 . 25745 1
616 . 1 . 1 53 53 PHE HE2 H 1 7.079 . . 1 . . 895 . . 53 PHE HE2 . 25745 1
617 . 1 . 1 53 53 PHE C C 13 173.061 . . 1 . . 344 . . 53 PHE C . 25745 1
618 . 1 . 1 53 53 PHE CA C 13 55.222 0.025 . 1 . . 345 . . 53 PHE CA . 25745 1
619 . 1 . 1 53 53 PHE CB C 13 36.569 0.012 . 1 . . 343 . . 53 PHE CB . 25745 1
620 . 1 . 1 53 53 PHE N N 15 119.983 0.005 . 1 . . 122 . . 53 PHE N . 25745 1
621 . 1 . 1 54 54 LYS H H 1 8.105 0.002 . 1 . . 7 . . 54 LYS H . 25745 1
622 . 1 . 1 54 54 LYS HA H 1 4.037 0.001 . 1 . . 684 . . 54 LYS HA . 25745 1
623 . 1 . 1 54 54 LYS HB2 H 1 1.590 0.001 . 1 . . 687 . . 54 LYS HB2 . 25745 1
624 . 1 . 1 54 54 LYS HB3 H 1 1.590 . . 1 . . 688 . . 54 LYS HB3 . 25745 1
625 . 1 . 1 54 54 LYS HG2 H 1 1.180 . . 2 . . 691 . . 54 LYS HG2 . 25745 1
626 . 1 . 1 54 54 LYS HG3 H 1 1.134 . . 2 . . 692 . . 54 LYS HG3 . 25745 1
627 . 1 . 1 54 54 LYS HD2 H 1 1.479 . . 2 . . 689 . . 54 LYS HD2 . 25745 1
628 . 1 . 1 54 54 LYS HD3 H 1 1.434 . . 2 . . 690 . . 54 LYS HD3 . 25745 1
629 . 1 . 1 54 54 LYS HE2 H 1 2.761 . . 1 . . 685 . . 54 LYS HE2 . 25745 1
630 . 1 . 1 54 54 LYS HE3 H 1 2.761 . . 1 . . 686 . . 54 LYS HE3 . 25745 1
631 . 1 . 1 54 54 LYS C C 13 174.023 . . 1 . . 175 . . 54 LYS C . 25745 1
632 . 1 . 1 54 54 LYS CA C 13 53.499 0.045 . 1 . . 174 . . 54 LYS CA . 25745 1
633 . 1 . 1 54 54 LYS CB C 13 30.071 . . 1 . . 173 . . 54 LYS CB . 25745 1
634 . 1 . 1 54 54 LYS CG C 13 21.812 . . 1 . . 474 . . 54 LYS CG . 25745 1
635 . 1 . 1 54 54 LYS CD C 13 26.161 . . 1 . . 473 . . 54 LYS CD . 25745 1
636 . 1 . 1 54 54 LYS CE C 13 39.300 . . 1 . . 472 . . 54 LYS CE . 25745 1
637 . 1 . 1 54 54 LYS N N 15 123.359 0.024 . 1 . . 8 . . 54 LYS N . 25745 1
638 . 1 . 1 55 55 GLY H H 1 7.626 0.002 . 1 . . 111 . . 55 GLY H . 25745 1
639 . 1 . 1 55 55 GLY HA2 H 1 3.662 0.004 . 1 . . 693 . . 55 GLY HA2 . 25745 1
640 . 1 . 1 55 55 GLY HA3 H 1 3.662 0.004 . 1 . . 694 . . 55 GLY HA3 . 25745 1
641 . 1 . 1 55 55 GLY C C 13 170.979 . . 1 . . 332 . . 55 GLY C . 25745 1
642 . 1 . 1 55 55 GLY CA C 13 42.548 . . 1 . . 331 . . 55 GLY CA . 25745 1
643 . 1 . 1 55 55 GLY N N 15 109.068 0.005 . 1 . . 112 . . 55 GLY N . 25745 1
644 . 1 . 1 56 56 ASP H H 1 8.083 0.005 . 1 . . 33 . . 56 ASP H . 25745 1
645 . 1 . 1 56 56 ASP HA H 1 4.375 0.004 . 1 . . 696 . . 56 ASP HA . 25745 1
646 . 1 . 1 56 56 ASP HB2 H 1 2.451 0.006 . 2 . . 697 . . 56 ASP HB2 . 25745 1
647 . 1 . 1 56 56 ASP HB3 H 1 2.504 0.003 . 2 . . 698 . . 56 ASP HB3 . 25745 1
648 . 1 . 1 56 56 ASP C C 13 173.744 . . 1 . . 212 . . 56 ASP C . 25745 1
649 . 1 . 1 56 56 ASP CA C 13 51.535 . . 1 . . 211 . . 56 ASP CA . 25745 1
650 . 1 . 1 56 56 ASP CB C 13 38.455 0.007 . 1 . . 210 . . 56 ASP CB . 25745 1
651 . 1 . 1 56 56 ASP N N 15 120.522 0.015 . 1 . . 34 . . 56 ASP N . 25745 1
652 . 1 . 1 57 57 ALA H H 1 8.175 0.002 . 1 . . 156 . . 57 ALA H . 25745 1
653 . 1 . 1 57 57 ALA HA H 1 4.003 0.002 . 1 . . 700 . . 57 ALA HA . 25745 1
654 . 1 . 1 57 57 ALA HB1 H 1 1.155 0.003 . 1 . . 699 . . 57 ALA HB1 . 25745 1
655 . 1 . 1 57 57 ALA HB2 H 1 1.155 0.003 . 1 . . 699 . . 57 ALA HB2 . 25745 1
656 . 1 . 1 57 57 ALA HB3 H 1 1.155 0.003 . 1 . . 699 . . 57 ALA HB3 . 25745 1
657 . 1 . 1 57 57 ALA C C 13 175.216 . . 1 . . 394 . . 57 ALA C . 25745 1
658 . 1 . 1 57 57 ALA CA C 13 50.365 0.012 . 1 . . 393 . . 57 ALA CA . 25745 1
659 . 1 . 1 57 57 ALA CB C 13 16.073 0.021 . 1 . . 392 . . 57 ALA CB . 25745 1
660 . 1 . 1 57 57 ALA N N 15 124.412 0.006 . 1 . . 155 . . 57 ALA N . 25745 1
661 . 1 . 1 58 58 GLN H H 1 8.120 0.007 . 1 . . 133 . . 58 GLN H . 25745 1
662 . 1 . 1 58 58 GLN HA H 1 3.950 0.002 . 1 . . 701 . . 58 GLN HA . 25745 1
663 . 1 . 1 58 58 GLN HB2 H 1 1.652 0.002 . 2 . . 883 . . 58 GLN HB2 . 25745 1
664 . 1 . 1 58 58 GLN HB3 H 1 1.700 0.002 . 2 . . 884 . . 58 GLN HB3 . 25745 1
665 . 1 . 1 58 58 GLN HG2 H 1 1.905 0.003 . 1 . . 702 . . 58 GLN HG2 . 25745 1
666 . 1 . 1 58 58 GLN C C 13 173.163 . . 1 . . 362 . . 58 GLN C . 25745 1
667 . 1 . 1 58 58 GLN CA C 13 53.413 0.018 . 1 . . 363 . . 58 GLN CA . 25745 1
668 . 1 . 1 58 58 GLN CB C 13 26.251 0.014 . 1 . . 361 . . 58 GLN CB . 25745 1
669 . 1 . 1 58 58 GLN CG C 13 30.821 . . 1 . . 476 . . 58 GLN CG . 25745 1
670 . 1 . 1 58 58 GLN N N 15 117.943 0.01 . 1 . . 134 . . 58 GLN N . 25745 1
671 . 1 . 1 59 59 PHE H H 1 7.932 0.005 . 1 . . 97 . . 59 PHE H . 25745 1
672 . 1 . 1 59 59 PHE HA H 1 4.347 0.002 . 1 . . 703 . . 59 PHE HA . 25745 1
673 . 1 . 1 59 59 PHE HB2 H 1 2.969 0.003 . 2 . . 704 . . 59 PHE HB2 . 25745 1
674 . 1 . 1 59 59 PHE HB3 H 1 2.797 0.001 . 2 . . 705 . . 59 PHE HB3 . 25745 1
675 . 1 . 1 59 59 PHE HD1 H 1 7.023 0.004 . 1 . . 894 . . 59 PHE HD1 . 25745 1
676 . 1 . 1 59 59 PHE HD2 H 1 7.023 0.004 . 1 . . 893 . . 59 PHE HD2 . 25745 1
677 . 1 . 1 59 59 PHE HE1 H 1 7.088 0.001 . 1 . . 892 . . 59 PHE HE1 . 25745 1
678 . 1 . 1 59 59 PHE HE2 H 1 7.088 0.001 . 1 . . 891 . . 59 PHE HE2 . 25745 1
679 . 1 . 1 59 59 PHE C C 13 173.575 . . 1 . . 312 . . 59 PHE C . 25745 1
680 . 1 . 1 59 59 PHE CA C 13 55.341 . . 1 . . 311 . . 59 PHE CA . 25745 1
681 . 1 . 1 59 59 PHE CB C 13 36.667 0.035 . 1 . . 310 . . 59 PHE CB . 25745 1
682 . 1 . 1 59 59 PHE N N 15 119.838 0.008 . 1 . . 98 . . 59 PHE N . 25745 1
683 . 1 . 1 60 60 GLY H H 1 8.123 0.002 . 1 . . 35 . . 60 GLY H . 25745 1
684 . 1 . 1 60 60 GLY HA2 H 1 3.680 0.006 . 2 . . 706 . . 60 GLY HA2 . 25745 1
685 . 1 . 1 60 60 GLY HA3 H 1 3.689 0.007 . 2 . . 707 . . 60 GLY HA3 . 25745 1
686 . 1 . 1 60 60 GLY C C 13 171.386 . . 1 . . 214 . . 60 GLY C . 25745 1
687 . 1 . 1 60 60 GLY CA C 13 42.559 . . 1 . . 213 . . 60 GLY CA . 25745 1
688 . 1 . 1 60 60 GLY N N 15 109.820 0.035 . 1 . . 36 . . 60 GLY N . 25745 1
689 . 1 . 1 61 61 LYS H H 1 7.968 0.001 . 1 . . 53 . . 61 LYS H . 25745 1
690 . 1 . 1 61 61 LYS HA H 1 3.960 0.001 . 1 . . 708 . . 61 LYS HA . 25745 1
691 . 1 . 1 61 61 LYS HB2 H 1 1.596 0.003 . 1 . . 710 . . 61 LYS HB2 . 25745 1
692 . 1 . 1 61 61 LYS HG2 H 1 1.250 0.012 . 2 . . 712 . . 61 LYS HG2 . 25745 1
693 . 1 . 1 61 61 LYS HG3 H 1 1.166 0.003 . 2 . . 713 . . 61 LYS HG3 . 25745 1
694 . 1 . 1 61 61 LYS HD2 H 1 1.464 . . 1 . . 711 . . 61 LYS HD2 . 25745 1
695 . 1 . 1 61 61 LYS HE2 H 1 2.767 0.001 . 1 . . 709 . . 61 LYS HE2 . 25745 1
696 . 1 . 1 61 61 LYS C C 13 174.728 . . 1 . . 242 . . 61 LYS C . 25745 1
697 . 1 . 1 61 61 LYS CA C 13 54.728 . . 1 . . 241 . . 61 LYS CA . 25745 1
698 . 1 . 1 61 61 LYS CB C 13 30.089 . . 1 . . 240 . . 61 LYS CB . 25745 1
699 . 1 . 1 61 61 LYS CG C 13 21.990 0.015 . 1 . . 479 . . 61 LYS CG . 25745 1
700 . 1 . 1 61 61 LYS CD C 13 26.356 . . 1 . . 478 . . 61 LYS CD . 25745 1
701 . 1 . 1 61 61 LYS CE C 13 39.319 . . 1 . . 477 . . 61 LYS CE . 25745 1
702 . 1 . 1 61 61 LYS N N 15 120.832 0.006 . 1 . . 54 . . 61 LYS N . 25745 1
703 . 1 . 1 62 62 LYS H H 1 8.159 0.003 . 1 . . 23 . . 62 LYS H . 25745 1
704 . 1 . 1 62 62 LYS HA H 1 3.989 . . 1 . . 714 . . 62 LYS HA . 25745 1
705 . 1 . 1 62 62 LYS HB2 H 1 1.579 . . 1 . . 716 . . 62 LYS HB2 . 25745 1
706 . 1 . 1 62 62 LYS HG2 H 1 1.268 . . 2 . . 718 . . 62 LYS HG2 . 25745 1
707 . 1 . 1 62 62 LYS HG3 H 1 1.199 . . 2 . . 719 . . 62 LYS HG3 . 25745 1
708 . 1 . 1 62 62 LYS HD2 H 1 1.454 . . 1 . . 717 . . 62 LYS HD2 . 25745 1
709 . 1 . 1 62 62 LYS HE2 H 1 2.763 0.001 . 1 . . 715 . . 62 LYS HE2 . 25745 1
710 . 1 . 1 62 62 LYS C C 13 174.525 . . 1 . . 196 . . 62 LYS C . 25745 1
711 . 1 . 1 62 62 LYS CA C 13 54.480 . . 1 . . 197 . . 62 LYS CA . 25745 1
712 . 1 . 1 62 62 LYS CB C 13 29.657 . . 1 . . 195 . . 62 LYS CB . 25745 1
713 . 1 . 1 62 62 LYS CG C 13 22.065 . . 1 . . 482 . . 62 LYS CG . 25745 1
714 . 1 . 1 62 62 LYS CD C 13 26.175 . . 1 . . 481 . . 62 LYS CD . 25745 1
715 . 1 . 1 62 62 LYS CE C 13 39.311 . . 1 . . 480 . . 62 LYS CE . 25745 1
716 . 1 . 1 62 62 LYS N N 15 121.242 0.003 . 1 . . 24 . . 62 LYS N . 25745 1
717 . 1 . 1 63 63 ALA H H 1 8.012 0.002 . 1 . . 39 . . 63 ALA H . 25745 1
718 . 1 . 1 63 63 ALA HA H 1 3.966 0.001 . 1 . . 721 . . 63 ALA HA . 25745 1
719 . 1 . 1 63 63 ALA HB1 H 1 1.139 0.001 . 1 . . 720 . . 63 ALA HB1 . 25745 1
720 . 1 . 1 63 63 ALA HB2 H 1 1.139 0.001 . 1 . . 720 . . 63 ALA HB2 . 25745 1
721 . 1 . 1 63 63 ALA HB3 H 1 1.139 0.001 . 1 . . 720 . . 63 ALA HB3 . 25745 1
722 . 1 . 1 63 63 ALA C C 13 176.064 . . 1 . . 222 . . 63 ALA C . 25745 1
723 . 1 . 1 63 63 ALA CA C 13 50.576 . . 1 . . 223 . . 63 ALA CA . 25745 1
724 . 1 . 1 63 63 ALA CB C 13 15.908 . . 1 . . 221 . . 63 ALA CB . 25745 1
725 . 1 . 1 63 63 ALA N N 15 124.167 0.005 . 1 . . 40 . . 63 ALA N . 25745 1
726 . 1 . 1 64 64 LEU H H 1 7.976 0.005 . 1 . . 113 . . 64 LEU H . 25745 1
727 . 1 . 1 64 64 LEU HA H 1 3.953 0.005 . 1 . . 722 . . 64 LEU HA . 25745 1
728 . 1 . 1 64 64 LEU HB2 H 1 1.500 0.007 . 2 . . 723 . . 64 LEU HB2 . 25745 1
729 . 1 . 1 64 64 LEU HB3 H 1 1.359 . . 2 . . 724 . . 64 LEU HB3 . 25745 1
730 . 1 . 1 64 64 LEU HG H 1 1.466 0.002 . 1 . . 871 . . 64 LEU HG . 25745 1
731 . 1 . 1 64 64 LEU HD11 H 1 0.652 . . 2 . . 725 . . 64 LEU HD11 . 25745 1
732 . 1 . 1 64 64 LEU HD12 H 1 0.652 . . 2 . . 725 . . 64 LEU HD12 . 25745 1
733 . 1 . 1 64 64 LEU HD13 H 1 0.652 . . 2 . . 725 . . 64 LEU HD13 . 25745 1
734 . 1 . 1 64 64 LEU HD21 H 1 0.683 0.011 . 2 . . 726 . . 64 LEU HD21 . 25745 1
735 . 1 . 1 64 64 LEU HD22 H 1 0.683 0.011 . 2 . . 726 . . 64 LEU HD22 . 25745 1
736 . 1 . 1 64 64 LEU HD23 H 1 0.683 0.011 . 2 . . 726 . . 64 LEU HD23 . 25745 1
737 . 1 . 1 64 64 LEU C C 13 175.684 . . 1 . . 335 . . 64 LEU C . 25745 1
738 . 1 . 1 64 64 LEU CA C 13 53.481 0.01 . 1 . . 334 . . 64 LEU CA . 25745 1
739 . 1 . 1 64 64 LEU CB C 13 39.103 0.007 . 1 . . 333 . . 64 LEU CB . 25745 1
740 . 1 . 1 64 64 LEU CG C 13 24.205 0.005 . 1 . . 483 . . 64 LEU CG . 25745 1
741 . 1 . 1 64 64 LEU CD1 C 13 20.664 0.006 . 2 . . 485 . . 64 LEU CD1 . 25745 1
742 . 1 . 1 64 64 LEU CD2 C 13 22.155 0.014 . 2 . . 484 . . 64 LEU CD2 . 25745 1
743 . 1 . 1 64 64 LEU N N 15 120.341 0.008 . 1 . . 114 . . 64 LEU N . 25745 1
744 . 1 . 1 65 65 GLU H H 1 8.092 0.003 . 1 . . 151 . . 65 GLU H . 25745 1
745 . 1 . 1 65 65 GLU HA H 1 3.950 0.004 . 1 . . 695 . . 65 GLU HA . 25745 1
746 . 1 . 1 65 65 GLU HB2 H 1 1.821 0.003 . 2 . . 729 . . 65 GLU HB2 . 25745 1
747 . 1 . 1 65 65 GLU HB3 H 1 1.968 0.002 . 2 . . 882 . . 65 GLU HB3 . 25745 1
748 . 1 . 1 65 65 GLU HG2 H 1 2.011 0.004 . 2 . . 727 . . 65 GLU HG2 . 25745 1
749 . 1 . 1 65 65 GLU HG3 H 1 2.136 0.002 . 2 . . 728 . . 65 GLU HG3 . 25745 1
750 . 1 . 1 65 65 GLU C C 13 174.622 . . 1 . . 388 . . 65 GLU C . 25745 1
751 . 1 . 1 65 65 GLU CA C 13 54.682 0.08 . 1 . . 389 . . 65 GLU CA . 25745 1
752 . 1 . 1 65 65 GLU CB C 13 26.872 0.158 . 1 . . 387 . . 65 GLU CB . 25745 1
753 . 1 . 1 65 65 GLU CG C 13 33.488 0.038 . 1 . . 475 . . 65 GLU CG . 25745 1
754 . 1 . 1 65 65 GLU N N 15 120.942 0.014 . 1 . . 152 . . 65 GLU N . 25745 1
755 . 1 . 1 66 66 GLN H H 1 8.091 0.004 . 1 . . 153 . . 66 GLN H . 25745 1
756 . 1 . 1 66 66 GLN HA H 1 4.013 0.002 . 1 . . 730 . . 66 GLN HA . 25745 1
757 . 1 . 1 66 66 GLN HB2 H 1 1.884 0.003 . 2 . . 732 . . 66 GLN HB2 . 25745 1
758 . 1 . 1 66 66 GLN HB3 H 1 1.831 0.003 . 2 . . 733 . . 66 GLN HB3 . 25745 1
759 . 1 . 1 66 66 GLN HG2 H 1 2.177 0.001 . 1 . . 731 . . 66 GLN HG2 . 25745 1
760 . 1 . 1 66 66 GLN C C 13 173.965 . . 1 . . 386 . . 66 GLN C . 25745 1
761 . 1 . 1 66 66 GLN CA C 13 53.915 . . 1 . . 391 . . 66 GLN CA . 25745 1
762 . 1 . 1 66 66 GLN CB C 13 26.230 0.001 . 1 . . 390 . . 66 GLN CB . 25745 1
763 . 1 . 1 66 66 GLN CG C 13 30.948 . . 1 . . 486 . . 66 GLN CG . 25745 1
764 . 1 . 1 66 66 GLN N N 15 120.476 0.002 . 1 . . 154 . . 66 GLN N . 25745 1
765 . 1 . 1 67 67 ARG H H 1 8.035 0.001 . 1 . . 77 . . 67 ARG H . 25745 1
766 . 1 . 1 67 67 ARG HA H 1 3.970 . . 1 . . 734 . . 67 ARG HA . 25745 1
767 . 1 . 1 67 67 ARG HB2 H 1 1.658 0.002 . 2 . . 736 . . 67 ARG HB2 . 25745 1
768 . 1 . 1 67 67 ARG HB3 H 1 1.595 0.005 . 2 . . 737 . . 67 ARG HB3 . 25745 1
769 . 1 . 1 67 67 ARG HG2 H 1 1.447 0.002 . 1 . . 738 . . 67 ARG HG2 . 25745 1
770 . 1 . 1 67 67 ARG HD2 H 1 2.950 . . 1 . . 735 . . 67 ARG HD2 . 25745 1
771 . 1 . 1 67 67 ARG C C 13 173.749 . . 1 . . 278 . . 67 ARG C . 25745 1
772 . 1 . 1 67 67 ARG CA C 13 54.280 . . 1 . . 279 . . 67 ARG CA . 25745 1
773 . 1 . 1 67 67 ARG CB C 13 27.635 0.029 . 1 . . 277 . . 67 ARG CB . 25745 1
774 . 1 . 1 67 67 ARG CG C 13 24.225 . . 1 . . 490 . . 67 ARG CG . 25745 1
775 . 1 . 1 67 67 ARG CD C 13 40.574 . . 1 . . 487 . . 67 ARG CD . 25745 1
776 . 1 . 1 67 67 ARG N N 15 121.250 0.008 . 1 . . 78 . . 67 ARG N . 25745 1
777 . 1 . 1 68 68 ALA H H 1 8.009 0.001 . 1 . . 127 . . 68 ALA H . 25745 1
778 . 1 . 1 68 68 ALA HA H 1 3.997 0.002 . 1 . . 739 . . 68 ALA HA . 25745 1
779 . 1 . 1 68 68 ALA HB1 H 1 1.199 0.001 . 1 . . 740 . . 68 ALA HB1 . 25745 1
780 . 1 . 1 68 68 ALA HB2 H 1 1.199 0.001 . 1 . . 740 . . 68 ALA HB2 . 25745 1
781 . 1 . 1 68 68 ALA HB3 H 1 1.199 0.001 . 1 . . 740 . . 68 ALA HB3 . 25745 1
782 . 1 . 1 68 68 ALA C C 13 175.527 . . 1 . . 352 . . 68 ALA C . 25745 1
783 . 1 . 1 68 68 ALA CA C 13 50.368 0.012 . 1 . . 353 . . 68 ALA CA . 25745 1
784 . 1 . 1 68 68 ALA CB C 13 16.018 0.01 . 1 . . 346 . . 68 ALA CB . 25745 1
785 . 1 . 1 68 68 ALA N N 15 123.389 0.007 . 1 . . 128 . . 68 ALA N . 25745 1
786 . 1 . 1 69 69 LYS H H 1 7.911 0.002 . 1 . . 123 . . 69 LYS H . 25745 1
787 . 1 . 1 69 69 LYS HA H 1 3.983 . . 1 . . 741 . . 69 LYS HA . 25745 1
788 . 1 . 1 69 69 LYS HB2 H 1 1.628 0.023 . 1 . . 743 . . 69 LYS HB2 . 25745 1
789 . 1 . 1 69 69 LYS HG2 H 1 1.299 . . 2 . . 745 . . 69 LYS HG2 . 25745 1
790 . 1 . 1 69 69 LYS HG3 H 1 1.183 . . 2 . . 746 . . 69 LYS HG3 . 25745 1
791 . 1 . 1 69 69 LYS HD2 H 1 1.468 . . 1 . . 744 . . 69 LYS HD2 . 25745 1
792 . 1 . 1 69 69 LYS HE2 H 1 2.762 . . 1 . . 742 . . 69 LYS HE2 . 25745 1
793 . 1 . 1 69 69 LYS C C 13 174.299 . . 1 . . 349 . . 69 LYS C . 25745 1
794 . 1 . 1 69 69 LYS CA C 13 54.325 . . 1 . . 348 . . 69 LYS CA . 25745 1
795 . 1 . 1 69 69 LYS CB C 13 30.045 . . 1 . . 347 . . 69 LYS CB . 25745 1
796 . 1 . 1 69 69 LYS CG C 13 22.189 . . 1 . . 493 . . 69 LYS CG . 25745 1
797 . 1 . 1 69 69 LYS CD C 13 26.328 . . 1 . . 492 . . 69 LYS CD . 25745 1
798 . 1 . 1 69 69 LYS CE C 13 39.348 . . 1 . . 491 . . 69 LYS CE . 25745 1
799 . 1 . 1 69 69 LYS N N 15 119.870 0.008 . 1 . . 124 . . 69 LYS N . 25745 1
800 . 1 . 1 70 70 ILE H H 1 7.866 0.003 . 1 . . 9 . . 70 ILE H . 25745 1
801 . 1 . 1 70 70 ILE HA H 1 3.833 0.002 . 1 . . 747 . . 70 ILE HA . 25745 1
802 . 1 . 1 70 70 ILE HB H 1 1.657 0.004 . 1 . . 748 . . 70 ILE HB . 25745 1
803 . 1 . 1 70 70 ILE HG12 H 1 1.311 0.004 . 1 . . 749 . . 70 ILE HG12 . 25745 1
804 . 1 . 1 70 70 ILE HG21 H 1 0.670 0.004 . 1 . . 750 . . 70 ILE HG21 . 25745 1
805 . 1 . 1 70 70 ILE HG22 H 1 0.670 0.004 . 1 . . 750 . . 70 ILE HG22 . 25745 1
806 . 1 . 1 70 70 ILE HG23 H 1 0.670 0.004 . 1 . . 750 . . 70 ILE HG23 . 25745 1
807 . 1 . 1 70 70 ILE HD11 H 1 0.639 0.008 . 1 . . 751 . . 70 ILE HD11 . 25745 1
808 . 1 . 1 70 70 ILE HD12 H 1 0.639 0.008 . 1 . . 751 . . 70 ILE HD12 . 25745 1
809 . 1 . 1 70 70 ILE HD13 H 1 0.639 0.008 . 1 . . 751 . . 70 ILE HD13 . 25745 1
810 . 1 . 1 70 70 ILE C C 13 173.667 . . 1 . . 178 . . 70 ILE C . 25745 1
811 . 1 . 1 70 70 ILE CA C 13 58.806 0.048 . 1 . . 177 . . 70 ILE CA . 25745 1
812 . 1 . 1 70 70 ILE CB C 13 35.515 0.028 . 1 . . 176 . . 70 ILE CB . 25745 1
813 . 1 . 1 70 70 ILE CG1 C 13 24.874 0.052 . 1 . . 494 . . 70 ILE CG1 . 25745 1
814 . 1 . 1 70 70 ILE CG2 C 13 14.665 0.008 . 1 . . 495 . . 70 ILE CG2 . 25745 1
815 . 1 . 1 70 70 ILE CD1 C 13 9.989 . . 1 . . 496 . . 70 ILE CD1 . 25745 1
816 . 1 . 1 70 70 ILE N N 15 121.689 0.017 . 1 . . 10 . . 70 ILE N . 25745 1
817 . 1 . 1 71 71 LEU H H 1 8.077 0.002 . 1 . . 61 . . 71 LEU H . 25745 1
818 . 1 . 1 71 71 LEU HA H 1 4.077 0.002 . 1 . . 752 . . 71 LEU HA . 25745 1
819 . 1 . 1 71 71 LEU HB2 H 1 1.330 0.004 . 2 . . 754 . . 71 LEU HB2 . 25745 1
820 . 1 . 1 71 71 LEU HB3 H 1 1.444 0.003 . 2 . . 755 . . 71 LEU HB3 . 25745 1
821 . 1 . 1 71 71 LEU HG H 1 1.433 0.001 . 1 . . 872 . . 71 LEU HG . 25745 1
822 . 1 . 1 71 71 LEU HD11 H 1 0.633 0.001 . 2 . . 757 . . 71 LEU HD11 . 25745 1
823 . 1 . 1 71 71 LEU HD12 H 1 0.633 0.001 . 2 . . 757 . . 71 LEU HD12 . 25745 1
824 . 1 . 1 71 71 LEU HD13 H 1 0.633 0.001 . 2 . . 757 . . 71 LEU HD13 . 25745 1
825 . 1 . 1 71 71 LEU HD21 H 1 0.692 0.004 . 2 . . 758 . . 71 LEU HD21 . 25745 1
826 . 1 . 1 71 71 LEU HD22 H 1 0.692 0.004 . 2 . . 758 . . 71 LEU HD22 . 25745 1
827 . 1 . 1 71 71 LEU HD23 H 1 0.692 0.004 . 2 . . 758 . . 71 LEU HD23 . 25745 1
828 . 1 . 1 71 71 LEU C C 13 174.411 . . 1 . . 262 . . 71 LEU C . 25745 1
829 . 1 . 1 71 71 LEU CA C 13 52.544 0.016 . 1 . . 264 . . 71 LEU CA . 25745 1
830 . 1 . 1 71 71 LEU CB C 13 39.295 0.012 . 1 . . 263 . . 71 LEU CB . 25745 1
831 . 1 . 1 71 71 LEU CG C 13 24.201 . . 1 . . 497 . . 71 LEU CG . 25745 1
832 . 1 . 1 71 71 LEU CD1 C 13 20.668 . . 2 . . 498 . . 71 LEU CD1 . 25745 1
833 . 1 . 1 71 71 LEU CD2 C 13 22.160 . . 2 . . 499 . . 71 LEU CD2 . 25745 1
834 . 1 . 1 71 71 LEU N N 15 125.382 0.009 . 1 . . 62 . . 71 LEU N . 25745 1
835 . 1 . 1 72 72 LYS H H 1 7.981 0.003 . 1 . . 69 . . 72 LYS H . 25745 1
836 . 1 . 1 72 72 LYS HA H 1 4.067 . . 1 . . 753 . . 72 LYS HA . 25745 1
837 . 1 . 1 72 72 LYS HB2 H 1 1.575 0.006 . 1 . . 756 . . 72 LYS HB2 . 25745 1
838 . 1 . 1 72 72 LYS HG2 H 1 1.255 . . 2 . . 761 . . 72 LYS HG2 . 25745 1
839 . 1 . 1 72 72 LYS HG3 H 1 1.168 . . 2 . . 762 . . 72 LYS HG3 . 25745 1
840 . 1 . 1 72 72 LYS HD2 H 1 1.461 . . 1 . . 760 . . 72 LYS HD2 . 25745 1
841 . 1 . 1 72 72 LYS HE2 H 1 2.763 . . 1 . . 759 . . 72 LYS HE2 . 25745 1
842 . 1 . 1 72 72 LYS C C 13 173.789 . . 1 . . 267 . . 72 LYS C . 25745 1
843 . 1 . 1 72 72 LYS CA C 13 53.757 . . 1 . . 266 . . 72 LYS CA . 25745 1
844 . 1 . 1 72 72 LYS CB C 13 30.032 . . 1 . . 265 . . 72 LYS CB . 25745 1
845 . 1 . 1 72 72 LYS CG C 13 22.008 0.015 . 1 . . 500 . . 72 LYS CG . 25745 1
846 . 1 . 1 72 72 LYS CD C 13 26.259 . . 1 . . 501 . . 72 LYS CD . 25745 1
847 . 1 . 1 72 72 LYS N N 15 122.192 0.008 . 1 . . 70 . . 72 LYS N . 25745 1
848 . 1 . 1 73 73 VAL H H 1 7.968 0.004 . 1 . . 21 . . 73 VAL H . 25745 1
849 . 1 . 1 73 73 VAL HA H 1 3.802 0.007 . 1 . . 763 . . 73 VAL HA . 25745 1
850 . 1 . 1 73 73 VAL HB H 1 1.850 0.002 . 1 . . 764 . . 73 VAL HB . 25745 1
851 . 1 . 1 73 73 VAL HG11 H 1 0.745 0.002 . 2 . . 767 . . 73 VAL HG11 . 25745 1
852 . 1 . 1 73 73 VAL HG12 H 1 0.745 0.002 . 2 . . 767 . . 73 VAL HG12 . 25745 1
853 . 1 . 1 73 73 VAL HG13 H 1 0.745 0.002 . 2 . . 767 . . 73 VAL HG13 . 25745 1
854 . 1 . 1 73 73 VAL HG21 H 1 0.690 0.002 . 2 . . 768 . . 73 VAL HG21 . 25745 1
855 . 1 . 1 73 73 VAL HG22 H 1 0.690 0.002 . 2 . . 768 . . 73 VAL HG22 . 25745 1
856 . 1 . 1 73 73 VAL HG23 H 1 0.690 0.002 . 2 . . 768 . . 73 VAL HG23 . 25745 1
857 . 1 . 1 73 73 VAL C C 13 173.662 . . 1 . . 193 . . 73 VAL C . 25745 1
858 . 1 . 1 73 73 VAL CA C 13 60.174 0.051 . 1 . . 194 . . 73 VAL CA . 25745 1
859 . 1 . 1 73 73 VAL CB C 13 29.765 0.028 . 1 . . 192 . . 73 VAL CB . 25745 1
860 . 1 . 1 73 73 VAL CG1 C 13 18.206 . . 2 . . 765 . . 73 VAL CG1 . 25745 1
861 . 1 . 1 73 73 VAL CG2 C 13 18.434 . . 2 . . 766 . . 73 VAL CG2 . 25745 1
862 . 1 . 1 73 73 VAL N N 15 122.356 0.023 . 1 . . 22 . . 73 VAL N . 25745 1
863 . 1 . 1 74 74 ILE H H 1 8.082 0.002 . 1 . . 75 . . 74 ILE H . 25745 1
864 . 1 . 1 74 74 ILE HA H 1 3.881 0.003 . 1 . . 769 . . 74 ILE HA . 25745 1
865 . 1 . 1 74 74 ILE HB H 1 1.640 0.006 . 1 . . 770 . . 74 ILE HB . 25745 1
866 . 1 . 1 74 74 ILE HG12 H 1 1.119 . . 1 . . 771 . . 74 ILE HG12 . 25745 1
867 . 1 . 1 74 74 ILE HG21 H 1 0.665 0.003 . 1 . . 772 . . 74 ILE HG21 . 25745 1
868 . 1 . 1 74 74 ILE HG22 H 1 0.665 0.003 . 1 . . 772 . . 74 ILE HG22 . 25745 1
869 . 1 . 1 74 74 ILE HG23 H 1 0.665 0.003 . 1 . . 772 . . 74 ILE HG23 . 25745 1
870 . 1 . 1 74 74 ILE HD11 H 1 0.629 . . 1 . . 773 . . 74 ILE HD11 . 25745 1
871 . 1 . 1 74 74 ILE HD12 H 1 0.629 . . 1 . . 773 . . 74 ILE HD12 . 25745 1
872 . 1 . 1 74 74 ILE HD13 H 1 0.629 . . 1 . . 773 . . 74 ILE HD13 . 25745 1
873 . 1 . 1 74 74 ILE C C 13 173.240 . . 1 . . 276 . . 74 ILE C . 25745 1
874 . 1 . 1 74 74 ILE CA C 13 58.553 0.001 . 1 . . 275 . . 74 ILE CA . 25745 1
875 . 1 . 1 74 74 ILE CB C 13 35.702 0.061 . 1 . . 274 . . 74 ILE CB . 25745 1
876 . 1 . 1 74 74 ILE CG1 C 13 24.595 . . 1 . . 502 . . 74 ILE CG1 . 25745 1
877 . 1 . 1 74 74 ILE CG2 C 13 14.603 . . 1 . . 503 . . 74 ILE CG2 . 25745 1
878 . 1 . 1 74 74 ILE CD1 C 13 10.101 . . 1 . . 504 . . 74 ILE CD1 . 25745 1
879 . 1 . 1 74 74 ILE N N 15 124.593 0.01 . 1 . . 76 . . 74 ILE N . 25745 1
880 . 1 . 1 75 75 ASP H H 1 8.215 0.002 . 1 . . 55 . . 75 ASP H . 25745 1
881 . 1 . 1 75 75 ASP HA H 1 4.360 0.002 . 1 . . 775 . . 75 ASP HA . 25745 1
882 . 1 . 1 75 75 ASP HB2 H 1 2.500 0.002 . 2 . . 776 . . 75 ASP HB2 . 25745 1
883 . 1 . 1 75 75 ASP HB3 H 1 2.386 0.003 . 2 . . 777 . . 75 ASP HB3 . 25745 1
884 . 1 . 1 75 75 ASP C C 13 173.648 . . 1 . . 244 . . 75 ASP C . 25745 1
885 . 1 . 1 75 75 ASP CA C 13 51.664 . . 1 . . 245 . . 75 ASP CA . 25745 1
886 . 1 . 1 75 75 ASP CB C 13 38.373 . . 1 . . 243 . . 75 ASP CB . 25745 1
887 . 1 . 1 75 75 ASP N N 15 124.492 0.01 . 1 . . 56 . . 75 ASP N . 25745 1
888 . 1 . 1 76 76 LYS H H 1 8.128 0.003 . 1 . . 160 . . 76 LYS H . 25745 1
889 . 1 . 1 76 76 LYS HA H 1 4.023 0.001 . 1 . . 778 . . 76 LYS HA . 25745 1
890 . 1 . 1 76 76 LYS HB2 H 1 1.562 0.001 . 2 . . 783 . . 76 LYS HB2 . 25745 1
891 . 1 . 1 76 76 LYS HB3 H 1 1.655 0.004 . 2 . . 784 . . 76 LYS HB3 . 25745 1
892 . 1 . 1 76 76 LYS HG2 H 1 1.208 . . 2 . . 781 . . 76 LYS HG2 . 25745 1
893 . 1 . 1 76 76 LYS HG3 H 1 1.257 . . 2 . . 782 . . 76 LYS HG3 . 25745 1
894 . 1 . 1 76 76 LYS HD2 H 1 1.471 . . 1 . . 780 . . 76 LYS HD2 . 25745 1
895 . 1 . 1 76 76 LYS HE2 H 1 2.785 . . 1 . . 779 . . 76 LYS HE2 . 25745 1
896 . 1 . 1 76 76 LYS C C 13 174.072 . . 1 . . 258 . . 76 LYS C . 25745 1
897 . 1 . 1 76 76 LYS CA C 13 53.811 . . 1 . . 400 . . 76 LYS CA . 25745 1
898 . 1 . 1 76 76 LYS CB C 13 29.930 . . 1 . . 399 . . 76 LYS CB . 25745 1
899 . 1 . 1 76 76 LYS CG C 13 21.981 0.015 . 1 . . 507 . . 76 LYS CG . 25745 1
900 . 1 . 1 76 76 LYS CD C 13 26.226 . . 1 . . 506 . . 76 LYS CD . 25745 1
901 . 1 . 1 76 76 LYS CE C 13 39.264 . . 1 . . 505 . . 76 LYS CE . 25745 1
902 . 1 . 1 76 76 LYS N N 15 122.158 0.007 . 1 . . 159 . . 76 LYS N . 25745 1
903 . 1 . 1 77 77 GLN H H 1 8.215 0.001 . 1 . . 67 . . 77 GLN H . 25745 1
904 . 1 . 1 77 77 GLN HA H 1 4.054 0.002 . 1 . . 774 . . 77 GLN HA . 25745 1
905 . 1 . 1 77 77 GLN HB2 H 1 1.901 0.001 . 2 . . 787 . . 77 GLN HB2 . 25745 1
906 . 1 . 1 77 77 GLN HB3 H 1 1.811 0.004 . 2 . . 788 . . 77 GLN HB3 . 25745 1
907 . 1 . 1 77 77 GLN HG2 H 1 2.161 0.001 . 2 . . 785 . . 77 GLN HG2 . 25745 1
908 . 1 . 1 77 77 GLN HG3 H 1 2.157 0.003 . 2 . . 786 . . 77 GLN HG3 . 25745 1
909 . 1 . 1 77 77 GLN C C 13 173.284 . . 1 . . 261 . . 77 GLN C . 25745 1
910 . 1 . 1 77 77 GLN CA C 13 53.247 0.002 . 1 . . 260 . . 77 GLN CA . 25745 1
911 . 1 . 1 77 77 GLN CB C 13 26.301 . . 1 . . 259 . . 77 GLN CB . 25745 1
912 . 1 . 1 77 77 GLN CG C 13 31.025 . . 1 . . 508 . . 77 GLN CG . 25745 1
913 . 1 . 1 77 77 GLN N N 15 120.468 0.008 . 1 . . 68 . . 77 GLN N . 25745 1
914 . 1 . 1 78 78 LYS H H 1 8.116 0.001 . 1 . . 91 . . 78 LYS H . 25745 1
915 . 1 . 1 78 78 LYS HA H 1 4.131 0.004 . 1 . . 789 . . 78 LYS HA . 25745 1
916 . 1 . 1 78 78 LYS HB2 H 1 1.662 . . 2 . . 791 . . 78 LYS HB2 . 25745 1
917 . 1 . 1 78 78 LYS HB3 H 1 1.564 . . 2 . . 792 . . 78 LYS HB3 . 25745 1
918 . 1 . 1 78 78 LYS HG2 H 1 1.215 . . 2 . . 794 . . 78 LYS HG2 . 25745 1
919 . 1 . 1 78 78 LYS HG3 H 1 1.264 . . 2 . . 795 . . 78 LYS HG3 . 25745 1
920 . 1 . 1 78 78 LYS HD2 H 1 1.468 . . 1 . . 793 . . 78 LYS HD2 . 25745 1
921 . 1 . 1 78 78 LYS HE2 H 1 2.779 . . 1 . . 790 . . 78 LYS HE2 . 25745 1
922 . 1 . 1 78 78 LYS C C 13 173.961 . . 1 . . 304 . . 78 LYS C . 25745 1
923 . 1 . 1 78 78 LYS CA C 13 53.520 . . 1 . . 303 . . 78 LYS CA . 25745 1
924 . 1 . 1 78 78 LYS CB C 13 30.362 . . 1 . . 302 . . 78 LYS CB . 25745 1
925 . 1 . 1 78 78 LYS CG C 13 21.944 . . 1 . . 511 . . 78 LYS CG . 25745 1
926 . 1 . 1 78 78 LYS CD C 13 26.239 . . 1 . . 510 . . 78 LYS CD . 25745 1
927 . 1 . 1 78 78 LYS CE C 13 39.302 . . 1 . . 509 . . 78 LYS CE . 25745 1
928 . 1 . 1 78 78 LYS N N 15 122.146 0.015 . 1 . . 92 . . 78 LYS N . 25745 1
929 . 1 . 1 79 79 GLY H H 1 8.091 . . 1 . . 31 . . 79 GLY H . 25745 1
930 . 1 . 1 79 79 GLY HA2 H 1 3.866 . . 2 . . 851 . . 79 GLY HA2 . 25745 1
931 . 1 . 1 79 79 GLY HA3 H 1 3.914 0.004 . 2 . . 852 . . 79 GLY HA3 . 25745 1
932 . 1 . 1 79 79 GLY C C 13 168.980 . . 1 . . 410 . . 79 GLY C . 25745 1
933 . 1 . 1 79 79 GLY CA C 13 41.787 0.018 . 1 . . 209 . . 79 GLY CA . 25745 1
934 . 1 . 1 79 79 GLY N N 15 109.938 0.005 . 1 . . 32 . . 79 GLY N . 25745 1
935 . 1 . 1 80 80 PRO HA H 1 4.196 0.002 . 1 . . 796 . . 80 PRO HA . 25745 1
936 . 1 . 1 80 80 PRO HB2 H 1 2.014 0.003 . 2 . . 799 . . 80 PRO HB2 . 25745 1
937 . 1 . 1 80 80 PRO HB3 H 1 1.610 0.002 . 2 . . 800 . . 80 PRO HB3 . 25745 1
938 . 1 . 1 80 80 PRO HG2 H 1 1.778 . . 2 . . 859 . . 80 PRO HG2 . 25745 1
939 . 1 . 1 80 80 PRO HG3 H 1 1.665 . . 2 . . 860 . . 80 PRO HG3 . 25745 1
940 . 1 . 1 80 80 PRO HD2 H 1 3.391 0.001 . 1 . . 797 . . 80 PRO HD2 . 25745 1
941 . 1 . 1 80 80 PRO HD3 H 1 3.391 . . 1 . . 798 . . 80 PRO HD3 . 25745 1
942 . 1 . 1 80 80 PRO C C 13 174.109 . . 1 . . 199 . . 80 PRO C . 25745 1
943 . 1 . 1 80 80 PRO CA C 13 60.431 0.001 . 1 . . 198 . . 80 PRO CA . 25745 1
944 . 1 . 1 80 80 PRO CB C 13 29.273 0.009 . 1 . . 411 . . 80 PRO CB . 25745 1
945 . 1 . 1 80 80 PRO CG C 13 24.233 . . 1 . . 513 . . 80 PRO CG . 25745 1
946 . 1 . 1 80 80 PRO CD C 13 46.922 . . 1 . . 512 . . 80 PRO CD . 25745 1
947 . 1 . 1 81 81 HIS H H 1 8.284 0.001 . 1 . . 25 . . 81 HIS H . 25745 1
948 . 1 . 1 81 81 HIS HA H 1 4.366 0.003 . 1 . . 801 . . 81 HIS HA . 25745 1
949 . 1 . 1 81 81 HIS HB2 H 1 2.878 . . 1 . . 802 . . 81 HIS HB2 . 25745 1
950 . 1 . 1 81 81 HIS HB3 H 1 2.879 0.001 . 1 . . 803 . . 81 HIS HB3 . 25745 1
951 . 1 . 1 81 81 HIS C C 13 172.358 . . 1 . . 202 . . 81 HIS C . 25745 1
952 . 1 . 1 81 81 HIS CA C 13 53.361 . . 1 . . 201 . . 81 HIS CA . 25745 1
953 . 1 . 1 81 81 HIS CB C 13 27.771 . . 1 . . 200 . . 81 HIS CB . 25745 1
954 . 1 . 1 81 81 HIS N N 15 120.044 0.019 . 1 . . 26 . . 81 HIS N . 25745 1
955 . 1 . 1 82 82 LYS H H 1 8.034 . . 1 . . 49 . . 82 LYS H . 25745 1
956 . 1 . 1 82 82 LYS HA H 1 4.057 . . 1 . . 804 . . 82 LYS HA . 25745 1
957 . 1 . 1 82 82 LYS HB2 H 1 1.564 . . 1 . . 808 . . 82 LYS HB2 . 25745 1
958 . 1 . 1 82 82 LYS HB3 H 1 1.564 . . 1 . . 807 . . 82 LYS HB3 . 25745 1
959 . 1 . 1 82 82 LYS HG2 H 1 1.159 . . 1 . . 811 . . 82 LYS HG2 . 25745 1
960 . 1 . 1 82 82 LYS HG3 H 1 1.159 . . 1 . . 812 . . 82 LYS HG3 . 25745 1
961 . 1 . 1 82 82 LYS HD2 H 1 1.471 . . 1 . . 810 . . 82 LYS HD2 . 25745 1
962 . 1 . 1 82 82 LYS HD3 H 1 1.471 . . 1 . . 809 . . 82 LYS HD3 . 25745 1
963 . 1 . 1 82 82 LYS HE2 H 1 2.769 . . 1 . . 806 . . 82 LYS HE2 . 25745 1
964 . 1 . 1 82 82 LYS HE3 H 1 2.771 0.001 . 1 . . 805 . . 82 LYS HE3 . 25745 1
965 . 1 . 1 82 82 LYS C C 13 172.957 . . 1 . . 235 . . 82 LYS C . 25745 1
966 . 1 . 1 82 82 LYS CA C 13 53.091 . . 1 . . 236 . . 82 LYS CA . 25745 1
967 . 1 . 1 82 82 LYS CB C 13 30.337 . . 1 . . 234 . . 82 LYS CB . 25745 1
968 . 1 . 1 82 82 LYS CG C 13 21.683 . . 1 . . 516 . . 82 LYS CG . 25745 1
969 . 1 . 1 82 82 LYS CD C 13 26.225 . . 1 . . 515 . . 82 LYS CD . 25745 1
970 . 1 . 1 82 82 LYS CE C 13 39.320 . . 1 . . 514 . . 82 LYS CE . 25745 1
971 . 1 . 1 82 82 LYS N N 15 123.552 0.007 . 1 . . 50 . . 82 LYS N . 25745 1
972 . 1 . 1 83 83 ALA H H 1 8.258 . . 1 . . 109 . . 83 ALA H . 25745 1
973 . 1 . 1 83 83 ALA HA H 1 4.066 0.001 . 1 . . 814 . . 83 ALA HA . 25745 1
974 . 1 . 1 83 83 ALA HB1 H 1 1.183 0.001 . 1 . . 813 . . 83 ALA HB1 . 25745 1
975 . 1 . 1 83 83 ALA HB2 H 1 1.183 0.001 . 1 . . 813 . . 83 ALA HB2 . 25745 1
976 . 1 . 1 83 83 ALA HB3 H 1 1.183 0.001 . 1 . . 813 . . 83 ALA HB3 . 25745 1
977 . 1 . 1 83 83 ALA C C 13 173.999 . . 1 . . 330 . . 83 ALA C . 25745 1
978 . 1 . 1 83 83 ALA CA C 13 49.798 0.01 . 1 . . 329 . . 83 ALA CA . 25745 1
979 . 1 . 1 83 83 ALA CB C 13 16.373 . . 1 . . 328 . . 83 ALA CB . 25745 1
980 . 1 . 1 83 83 ALA N N 15 126.536 0.008 . 1 . . 110 . . 83 ALA N . 25745 1
981 . 1 . 1 84 84 ARG H H 1 7.810 0.002 . 1 . . 135 . . 84 ARG H . 25745 1
982 . 1 . 1 84 84 ARG C C 13 178.310 . . 1 . . 365 . . 84 ARG C . 25745 1
983 . 1 . 1 84 84 ARG CA C 13 54.613 . . 1 . . 366 . . 84 ARG CA . 25745 1
984 . 1 . 1 84 84 ARG CB C 13 28.513 . . 1 . . 364 . . 84 ARG CB . 25745 1
985 . 1 . 1 84 84 ARG N N 15 125.395 0.008 . 1 . . 136 . . 84 ARG N . 25745 1
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