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 30457
_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' . . . 30457 1
2 '3D HNCACB' . . . 30457 1
3 '3D CBCA(CO)NH' . . . 30457 1
4 '3D HNCO' . . . 30457 1
5 '3D HN(CO)CA' . . . 30457 1
6 '3D HCCH-TOCSY' . . . 30457 1
7 '2D 1H-13C HSQC' . . . 30457 1
8 '3D 1H-15N NOESY' . . . 30457 1
9 '3D 1H-13C NOESY' . . . 30457 1
10 '3D HBHA(CO)NH' . . . 30457 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.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 1 1 SER C C 13 173.981 . . 1 . . 762 . A 1 SER C . 30457 1
2 . 1 1 1 1 SER CA C 13 58.020 . . 1 . . 697 . A 1 SER CA . 30457 1
3 . 1 1 1 1 SER CB C 13 64.135 . . 1 . . 698 . A 1 SER CB . 30457 1
4 . 1 1 2 2 VAL H H 1 7.842 0.008 . 1 . . 59 . A 2 VAL H . 30457 1
5 . 1 1 2 2 VAL HA H 1 4.435 0.018 . 1 . . 693 . A 2 VAL HA . 30457 1
6 . 1 1 2 2 VAL HB H 1 2.481 0.014 . 1 . . 694 . A 2 VAL HB . 30457 1
7 . 1 1 2 2 VAL HG11 H 1 0.706 0.012 . 2 . . 710 . A 2 VAL HG11 . 30457 1
8 . 1 1 2 2 VAL HG12 H 1 0.706 0.012 . 2 . . 710 . A 2 VAL HG12 . 30457 1
9 . 1 1 2 2 VAL HG13 H 1 0.706 0.012 . 2 . . 710 . A 2 VAL HG13 . 30457 1
10 . 1 1 2 2 VAL HG21 H 1 0.869 0.022 . 2 . . 711 . A 2 VAL HG21 . 30457 1
11 . 1 1 2 2 VAL HG22 H 1 0.869 0.022 . 2 . . 711 . A 2 VAL HG22 . 30457 1
12 . 1 1 2 2 VAL HG23 H 1 0.869 0.022 . 2 . . 711 . A 2 VAL HG23 . 30457 1
13 . 1 1 2 2 VAL C C 13 175.551 . . 1 . . 751 . A 2 VAL C . 30457 1
14 . 1 1 2 2 VAL CA C 13 60.815 0.145 . 1 . . 692 . A 2 VAL CA . 30457 1
15 . 1 1 2 2 VAL CB C 13 33.035 0.19 . 1 . . 691 . A 2 VAL CB . 30457 1
16 . 1 1 2 2 VAL CG1 C 13 19.434 . . 2 . . 843 . A 2 VAL CG1 . 30457 1
17 . 1 1 2 2 VAL CG2 C 13 22.283 . . 2 . . 844 . A 2 VAL CG2 . 30457 1
18 . 1 1 2 2 VAL N N 15 117.450 0.077 . 1 . . 60 . A 2 VAL N . 30457 1
19 . 1 1 3 3 LYS H H 1 8.300 0.014 . 1 . . 105 . A 3 LYS H . 30457 1
20 . 1 1 3 3 LYS HA H 1 3.946 0.006 . 1 . . 366 . A 3 LYS HA . 30457 1
21 . 1 1 3 3 LYS HB2 H 1 1.612 0.021 . 2 . . 367 . A 3 LYS HB2 . 30457 1
22 . 1 1 3 3 LYS HB3 H 1 1.434 0.005 . 2 . . 368 . A 3 LYS HB3 . 30457 1
23 . 1 1 3 3 LYS HG2 H 1 1.358 0.007 . 1 . . 731 . A 3 LYS HG2 . 30457 1
24 . 1 1 3 3 LYS HG3 H 1 1.358 0.007 . 1 . . 730 . A 3 LYS HG3 . 30457 1
25 . 1 1 3 3 LYS HE2 H 1 2.996 0.008 . 1 . . 727 . A 3 LYS HE2 . 30457 1
26 . 1 1 3 3 LYS HE3 H 1 2.996 0.008 . 1 . . 726 . A 3 LYS HE3 . 30457 1
27 . 1 1 3 3 LYS C C 13 176.984 . . 1 . . 752 . A 3 LYS C . 30457 1
28 . 1 1 3 3 LYS CA C 13 58.638 0.061 . 1 . . 304 . A 3 LYS CA . 30457 1
29 . 1 1 3 3 LYS CB C 13 33.059 0.097 . 1 . . 305 . A 3 LYS CB . 30457 1
30 . 1 1 3 3 LYS CG C 13 24.451 0.159 . 1 . . 729 . A 3 LYS CG . 30457 1
31 . 1 1 3 3 LYS CE C 13 42.117 0.05 . 1 . . 728 . A 3 LYS CE . 30457 1
32 . 1 1 3 3 LYS N N 15 125.850 0.1 . 1 . . 106 . A 3 LYS N . 30457 1
33 . 1 1 4 4 GLU H H 1 9.227 0.011 . 1 . . 15 . A 4 GLU H . 30457 1
34 . 1 1 4 4 GLU C C 13 175.863 . . 1 . . 753 . A 4 GLU C . 30457 1
35 . 1 1 4 4 GLU CA C 13 54.909 . . 1 . . 695 . A 4 GLU CA . 30457 1
36 . 1 1 4 4 GLU CB C 13 32.636 . . 1 . . 696 . A 4 GLU CB . 30457 1
37 . 1 1 4 4 GLU N N 15 117.774 0.065 . 1 . . 16 . A 4 GLU N . 30457 1
38 . 1 1 5 5 THR HA H 1 4.787 0.012 . 1 . . 401 . A 5 THR HA . 30457 1
39 . 1 1 5 5 THR HB H 1 4.797 0.008 . 1 . . 682 . A 5 THR HB . 30457 1
40 . 1 1 5 5 THR HG21 H 1 1.111 0.007 . 1 . . 687 . A 5 THR HG21 . 30457 1
41 . 1 1 5 5 THR HG22 H 1 1.111 0.007 . 1 . . 687 . A 5 THR HG22 . 30457 1
42 . 1 1 5 5 THR HG23 H 1 1.111 0.007 . 1 . . 687 . A 5 THR HG23 . 30457 1
43 . 1 1 5 5 THR C C 13 176.695 0.032 . 1 . . 339 . A 5 THR C . 30457 1
44 . 1 1 5 5 THR CA C 13 62.487 0.165 . 1 . . 290 . A 5 THR CA . 30457 1
45 . 1 1 5 5 THR CB C 13 69.181 0.203 . 1 . . 291 . A 5 THR CB . 30457 1
46 . 1 1 5 5 THR CG2 C 13 20.060 0.01 . 1 . . 686 . A 5 THR CG2 . 30457 1
47 . 1 1 6 6 LYS H H 1 7.678 0.006 . 1 . . 53 . A 6 LYS H . 30457 1
48 . 1 1 6 6 LYS HA H 1 4.168 0.012 . 1 . . 350 . A 6 LYS HA . 30457 1
49 . 1 1 6 6 LYS HB2 H 1 1.831 0.008 . 2 . . 351 . A 6 LYS HB2 . 30457 1
50 . 1 1 6 6 LYS HB3 H 1 2.131 0.008 . 2 . . 352 . A 6 LYS HB3 . 30457 1
51 . 1 1 6 6 LYS HG2 H 1 1.437 0.018 . 1 . . 737 . A 6 LYS HG2 . 30457 1
52 . 1 1 6 6 LYS HG3 H 1 1.425 0.026 . 1 . . 680 . A 6 LYS HG3 . 30457 1
53 . 1 1 6 6 LYS HE2 H 1 2.927 0.0 . 1 . . 734 . A 6 LYS HE2 . 30457 1
54 . 1 1 6 6 LYS HE3 H 1 2.927 0.0 . 1 . . 733 . A 6 LYS HE3 . 30457 1
55 . 1 1 6 6 LYS C C 13 177.407 0.012 . 1 . . 234 . A 6 LYS C . 30457 1
56 . 1 1 6 6 LYS CA C 13 60.742 0.22 . 1 . . 235 . A 6 LYS CA . 30457 1
57 . 1 1 6 6 LYS CB C 13 33.135 0.058 . 1 . . 236 . A 6 LYS CB . 30457 1
58 . 1 1 6 6 LYS CG C 13 24.573 0.097 . 1 . . 614 . A 6 LYS CG . 30457 1
59 . 1 1 6 6 LYS CD C 13 29.219 0.018 . 1 . . 615 . A 6 LYS CD . 30457 1
60 . 1 1 6 6 LYS CE C 13 42.378 0.118 . 1 . . 613 . A 6 LYS CE . 30457 1
61 . 1 1 6 6 LYS N N 15 123.272 0.065 . 1 . . 54 . A 6 LYS N . 30457 1
62 . 1 1 7 7 LEU H H 1 8.287 0.009 . 1 . . 83 . A 7 LEU H . 30457 1
63 . 1 1 7 7 LEU HA H 1 3.819 0.015 . 1 . . 408 . A 7 LEU HA . 30457 1
64 . 1 1 7 7 LEU HB2 H 1 0.825 0.015 . 1 . . 410 . A 7 LEU HB2 . 30457 1
65 . 1 1 7 7 LEU HB3 H 1 0.823 0.016 . 1 . . 409 . A 7 LEU HB3 . 30457 1
66 . 1 1 7 7 LEU HG H 1 1.295 0.017 . 1 . . 635 . A 7 LEU HG . 30457 1
67 . 1 1 7 7 LEU HD11 H 1 0.812 0.108 . 1 . . 640 . A 7 LEU HD11 . 30457 1
68 . 1 1 7 7 LEU HD12 H 1 0.502 0.011 . 2 . . 636 . A 7 LEU HD12 . 30457 1
69 . 1 1 7 7 LEU HD13 H 1 0.502 0.011 . 2 . . 636 . A 7 LEU HD13 . 30457 1
70 . 1 1 7 7 LEU HD21 H 1 -0.114 0.009 . 2 . . 637 . A 7 LEU HD21 . 30457 1
71 . 1 1 7 7 LEU HD22 H 1 -0.114 0.009 . 2 . . 637 . A 7 LEU HD22 . 30457 1
72 . 1 1 7 7 LEU HD23 H 1 -0.114 0.009 . 2 . . 637 . A 7 LEU HD23 . 30457 1
73 . 1 1 7 7 LEU C C 13 177.698 0.017 . 1 . . 233 . A 7 LEU C . 30457 1
74 . 1 1 7 7 LEU CA C 13 58.491 0.147 . 1 . . 231 . A 7 LEU CA . 30457 1
75 . 1 1 7 7 LEU CB C 13 40.485 0.109 . 1 . . 232 . A 7 LEU CB . 30457 1
76 . 1 1 7 7 LEU CG C 13 25.532 0.224 . 1 . . 626 . A 7 LEU CG . 30457 1
77 . 1 1 7 7 LEU CD1 C 13 20.986 0.033 . 1 . . 628 . A 7 LEU CD1 . 30457 1
78 . 1 1 7 7 LEU CD2 C 13 21.269 0.202 . 1 . . 627 . A 7 LEU CD2 . 30457 1
79 . 1 1 7 7 LEU N N 15 113.624 0.041 . 1 . . 84 . A 7 LEU N . 30457 1
80 . 1 1 8 8 TYR H H 1 6.731 0.007 . 1 . . 41 . A 8 TYR H . 30457 1
81 . 1 1 8 8 TYR HA H 1 3.770 0.011 . 1 . . 463 . A 8 TYR HA . 30457 1
82 . 1 1 8 8 TYR HB2 H 1 2.885 0.007 . 2 . . 461 . A 8 TYR HB2 . 30457 1
83 . 1 1 8 8 TYR HB3 H 1 3.140 0.009 . 2 . . 462 . A 8 TYR HB3 . 30457 1
84 . 1 1 8 8 TYR HD1 H 1 6.922 0.012 . 1 . . 715 . A 8 TYR HD1 . 30457 1
85 . 1 1 8 8 TYR HD2 H 1 6.922 0.012 . 1 . . 715 . A 8 TYR HD2 . 30457 1
86 . 1 1 8 8 TYR C C 13 178.652 0.01 . 1 . . 229 . A 8 TYR C . 30457 1
87 . 1 1 8 8 TYR CA C 13 61.491 0.139 . 1 . . 230 . A 8 TYR CA . 30457 1
88 . 1 1 8 8 TYR CB C 13 36.930 0.186 . 1 . . 228 . A 8 TYR CB . 30457 1
89 . 1 1 8 8 TYR CD1 C 13 132.870 . . 1 . . 767 . A 8 TYR CD1 . 30457 1
90 . 1 1 8 8 TYR CD2 C 13 132.870 . . 1 . . 767 . A 8 TYR CD2 . 30457 1
91 . 1 1 8 8 TYR N N 15 114.814 0.052 . 1 . . 42 . A 8 TYR N . 30457 1
92 . 1 1 9 9 ASP H H 1 8.557 0.007 . 1 . . 45 . A 9 ASP H . 30457 1
93 . 1 1 9 9 ASP HA H 1 4.414 0.005 . 1 . . 470 . A 9 ASP HA . 30457 1
94 . 1 1 9 9 ASP HB2 H 1 2.698 0.019 . 2 . . 468 . A 9 ASP HB2 . 30457 1
95 . 1 1 9 9 ASP HB3 H 1 2.855 0.023 . 2 . . 469 . A 9 ASP HB3 . 30457 1
96 . 1 1 9 9 ASP C C 13 180.572 . . 1 . . 338 . A 9 ASP C . 30457 1
97 . 1 1 9 9 ASP CA C 13 57.482 0.19 . 1 . . 227 . A 9 ASP CA . 30457 1
98 . 1 1 9 9 ASP CB C 13 39.976 0.092 . 1 . . 337 . A 9 ASP CB . 30457 1
99 . 1 1 9 9 ASP N N 15 119.951 0.074 . 1 . . 46 . A 9 ASP N . 30457 1
100 . 1 1 10 10 LEU H H 1 8.319 0.006 . 1 . . 61 . A 10 LEU H . 30457 1
101 . 1 1 10 10 LEU HA H 1 4.019 0.011 . 1 . . 473 . A 10 LEU HA . 30457 1
102 . 1 1 10 10 LEU HB2 H 1 1.237 0.009 . 2 . . 471 . A 10 LEU HB2 . 30457 1
103 . 1 1 10 10 LEU HB3 H 1 1.953 0.008 . 2 . . 472 . A 10 LEU HB3 . 30457 1
104 . 1 1 10 10 LEU HG H 1 0.750 0.019 . 1 . . 634 . A 10 LEU HG . 30457 1
105 . 1 1 10 10 LEU HD11 H 1 0.775 0.012 . 1 . . 633 . A 10 LEU HD11 . 30457 1
106 . 1 1 10 10 LEU HD12 H 1 0.775 0.012 . 1 . . 633 . A 10 LEU HD12 . 30457 1
107 . 1 1 10 10 LEU HD13 H 1 0.775 0.012 . 1 . . 633 . A 10 LEU HD13 . 30457 1
108 . 1 1 10 10 LEU HD21 H 1 0.773 0.015 . 1 . . 632 . A 10 LEU HD21 . 30457 1
109 . 1 1 10 10 LEU HD22 H 1 0.773 0.015 . 1 . . 632 . A 10 LEU HD22 . 30457 1
110 . 1 1 10 10 LEU HD23 H 1 0.773 0.015 . 1 . . 632 . A 10 LEU HD23 . 30457 1
111 . 1 1 10 10 LEU C C 13 178.011 0.024 . 1 . . 224 . A 10 LEU C . 30457 1
112 . 1 1 10 10 LEU CA C 13 57.755 0.107 . 1 . . 225 . A 10 LEU CA . 30457 1
113 . 1 1 10 10 LEU CB C 13 42.814 0.198 . 1 . . 226 . A 10 LEU CB . 30457 1
114 . 1 1 10 10 LEU CG C 13 26.441 0.139 . 1 . . 586 . A 10 LEU CG . 30457 1
115 . 1 1 10 10 LEU CD1 C 13 23.586 0.186 . 1 . . 630 . A 10 LEU CD1 . 30457 1
116 . 1 1 10 10 LEU CD2 C 13 23.621 0.187 . 1 . . 629 . A 10 LEU CD2 . 30457 1
117 . 1 1 10 10 LEU N N 15 121.079 0.057 . 1 . . 62 . A 10 LEU N . 30457 1
118 . 1 1 11 11 LEU H H 1 6.929 0.006 . 1 . . 63 . A 11 LEU H . 30457 1
119 . 1 1 11 11 LEU HA H 1 4.239 0.023 . 1 . . 426 . A 11 LEU HA . 30457 1
120 . 1 1 11 11 LEU HB2 H 1 1.823 0.016 . 2 . . 427 . A 11 LEU HB2 . 30457 1
121 . 1 1 11 11 LEU HB3 H 1 1.612 0.011 . 2 . . 428 . A 11 LEU HB3 . 30457 1
122 . 1 1 11 11 LEU HG H 1 0.944 0.025 . 1 . . 681 . A 11 LEU HG . 30457 1
123 . 1 1 11 11 LEU C C 13 178.036 . . 1 . . 256 . A 11 LEU C . 30457 1
124 . 1 1 11 11 LEU CA C 13 53.913 0.199 . 1 . . 150 . A 11 LEU CA . 30457 1
125 . 1 1 11 11 LEU CB C 13 42.837 0.062 . 1 . . 257 . A 11 LEU CB . 30457 1
126 . 1 1 11 11 LEU CG C 13 26.263 0.084 . 1 . . 631 . A 11 LEU CG . 30457 1
127 . 1 1 11 11 LEU CD1 C 13 23.399 . . 1 . . 838 . A 11 LEU CD1 . 30457 1
128 . 1 1 11 11 LEU CD2 C 13 23.399 . . 1 . . 837 . A 11 LEU CD2 . 30457 1
129 . 1 1 11 11 LEU N N 15 113.966 0.036 . 1 . . 64 . A 11 LEU N . 30457 1
130 . 1 1 12 12 GLY H H 1 7.934 0.008 . 1 . . 129 . A 12 GLY H . 30457 1
131 . 1 1 12 12 GLY HA2 H 1 3.949 0.017 . 1 . . 510 . A 12 GLY HA2 . 30457 1
132 . 1 1 12 12 GLY HA3 H 1 3.941 0.005 . 1 . . 467 . A 12 GLY HA3 . 30457 1
133 . 1 1 12 12 GLY C C 13 175.591 . . 1 . . 258 . A 12 GLY C . 30457 1
134 . 1 1 12 12 GLY CA C 13 46.836 0.121 . 1 . . 149 . A 12 GLY CA . 30457 1
135 . 1 1 12 12 GLY N N 15 108.323 0.041 . 1 . . 130 . A 12 GLY N . 30457 1
136 . 1 1 13 13 VAL H H 1 7.802 0.007 . 1 . . 57 . A 13 VAL H . 30457 1
137 . 1 1 13 13 VAL HA H 1 4.844 0.006 . 1 . . 354 . A 13 VAL HA . 30457 1
138 . 1 1 13 13 VAL HB H 1 2.452 0.008 . 1 . . 353 . A 13 VAL HB . 30457 1
139 . 1 1 13 13 VAL HG11 H 1 0.985 . . 2 . . 839 . A 13 VAL HG11 . 30457 1
140 . 1 1 13 13 VAL HG12 H 1 0.985 . . 2 . . 839 . A 13 VAL HG12 . 30457 1
141 . 1 1 13 13 VAL HG13 H 1 0.985 . . 2 . . 839 . A 13 VAL HG13 . 30457 1
142 . 1 1 13 13 VAL HG21 H 1 0.898 . . 2 . . 841 . A 13 VAL HG21 . 30457 1
143 . 1 1 13 13 VAL HG22 H 1 0.898 . . 2 . . 841 . A 13 VAL HG22 . 30457 1
144 . 1 1 13 13 VAL HG23 H 1 0.898 . . 2 . . 841 . A 13 VAL HG23 . 30457 1
145 . 1 1 13 13 VAL C C 13 174.562 . . 1 . . 259 . A 13 VAL C . 30457 1
146 . 1 1 13 13 VAL CA C 13 58.431 0.127 . 1 . . 146 . A 13 VAL CA . 30457 1
147 . 1 1 13 13 VAL CB C 13 35.214 0.164 . 1 . . 145 . A 13 VAL CB . 30457 1
148 . 1 1 13 13 VAL CG1 C 13 19.274 . . 2 . . 840 . A 13 VAL CG1 . 30457 1
149 . 1 1 13 13 VAL CG2 C 13 21.401 . . 2 . . 842 . A 13 VAL CG2 . 30457 1
150 . 1 1 13 13 VAL N N 15 110.405 0.043 . 1 . . 58 . A 13 VAL N . 30457 1
151 . 1 1 14 14 SER H H 1 8.350 0.006 . 1 . . 109 . A 14 SER H . 30457 1
152 . 1 1 14 14 SER C C 13 173.279 . . 1 . . 260 . A 14 SER C . 30457 1
153 . 1 1 14 14 SER CA C 13 56.234 . . 1 . . 147 . A 14 SER CA . 30457 1
154 . 1 1 14 14 SER CB C 13 63.757 . . 1 . . 148 . A 14 SER CB . 30457 1
155 . 1 1 14 14 SER N N 15 116.554 0.038 . 1 . . 110 . A 14 SER N . 30457 1
156 . 1 1 15 15 PRO HA H 1 2.451 0.016 . 1 . . 458 . A 15 PRO HA . 30457 1
157 . 1 1 15 15 PRO HB2 H 1 1.552 0.022 . 2 . . 456 . A 15 PRO HB2 . 30457 1
158 . 1 1 15 15 PRO HB3 H 1 1.717 0.008 . 2 . . 457 . A 15 PRO HB3 . 30457 1
159 . 1 1 15 15 PRO HG2 H 1 1.956 0.011 . 2 . . 661 . A 15 PRO HG2 . 30457 1
160 . 1 1 15 15 PRO HG3 H 1 1.381 0.012 . 2 . . 662 . A 15 PRO HG3 . 30457 1
161 . 1 1 15 15 PRO HD2 H 1 3.444 0.004 . 2 . . 663 . A 15 PRO HD2 . 30457 1
162 . 1 1 15 15 PRO HD3 H 1 3.129 0.007 . 2 . . 666 . A 15 PRO HD3 . 30457 1
163 . 1 1 15 15 PRO C C 13 175.894 . . 1 . . 754 . A 15 PRO C . 30457 1
164 . 1 1 15 15 PRO CA C 13 63.315 0.192 . 1 . . 142 . A 15 PRO CA . 30457 1
165 . 1 1 15 15 PRO CB C 13 32.116 0.127 . 1 . . 141 . A 15 PRO CB . 30457 1
166 . 1 1 15 15 PRO CG C 13 27.777 0.071 . 1 . . 659 . A 15 PRO CG . 30457 1
167 . 1 1 15 15 PRO CD C 13 49.866 0.279 . 1 . . 660 . A 15 PRO CD . 30457 1
168 . 1 1 16 16 SER H H 1 7.238 0.006 . 1 . . 37 . A 16 SER H . 30457 1
169 . 1 1 16 16 SER HA H 1 4.319 0.011 . 1 . . 482 . A 16 SER HA . 30457 1
170 . 1 1 16 16 SER HB2 H 1 3.693 0.012 . 2 . . 444 . A 16 SER HB2 . 30457 1
171 . 1 1 16 16 SER HB3 H 1 3.885 0.047 . 2 . . 481 . A 16 SER HB3 . 30457 1
172 . 1 1 16 16 SER C C 13 174.495 . . 1 . . 223 . A 16 SER C . 30457 1
173 . 1 1 16 16 SER CA C 13 57.132 0.164 . 1 . . 143 . A 16 SER CA . 30457 1
174 . 1 1 16 16 SER CB C 13 63.313 0.219 . 1 . . 144 . A 16 SER CB . 30457 1
175 . 1 1 16 16 SER N N 15 108.479 0.049 . 1 . . 38 . A 16 SER N . 30457 1
176 . 1 1 17 17 ALA H H 1 7.707 0.009 . 1 . . 85 . A 17 ALA H . 30457 1
177 . 1 1 17 17 ALA HA H 1 4.275 0.008 . 1 . . 477 . A 17 ALA HA . 30457 1
178 . 1 1 17 17 ALA HB1 H 1 1.544 0.013 . 1 . . 478 . A 17 ALA HB1 . 30457 1
179 . 1 1 17 17 ALA HB2 H 1 1.544 0.013 . 1 . . 478 . A 17 ALA HB2 . 30457 1
180 . 1 1 17 17 ALA HB3 H 1 1.544 0.013 . 1 . . 478 . A 17 ALA HB3 . 30457 1
181 . 1 1 17 17 ALA C C 13 177.913 0.018 . 1 . . 222 . A 17 ALA C . 30457 1
182 . 1 1 17 17 ALA CA C 13 53.241 0.168 . 1 . . 221 . A 17 ALA CA . 30457 1
183 . 1 1 17 17 ALA CB C 13 19.887 0.191 . 1 . . 220 . A 17 ALA CB . 30457 1
184 . 1 1 17 17 ALA N N 15 124.776 0.043 . 1 . . 86 . A 17 ALA N . 30457 1
185 . 1 1 18 18 ASN H H 1 8.582 0.011 . 1 . . 77 . A 18 ASN H . 30457 1
186 . 1 1 18 18 ASN HA H 1 4.963 0.012 . 1 . . 343 . A 18 ASN HA . 30457 1
187 . 1 1 18 18 ASN HB2 H 1 3.438 0.011 . 2 . . 344 . A 18 ASN HB2 . 30457 1
188 . 1 1 18 18 ASN HB3 H 1 3.013 0.008 . 2 . . 345 . A 18 ASN HB3 . 30457 1
189 . 1 1 18 18 ASN C C 13 175.428 0.007 . 1 . . 217 . A 18 ASN C . 30457 1
190 . 1 1 18 18 ASN CA C 13 50.725 0.146 . 1 . . 218 . A 18 ASN CA . 30457 1
191 . 1 1 18 18 ASN CB C 13 38.922 0.15 . 1 . . 219 . A 18 ASN CB . 30457 1
192 . 1 1 18 18 ASN N N 15 120.382 0.134 . 1 . . 78 . A 18 ASN N . 30457 1
193 . 1 1 19 19 GLU H H 1 8.676 0.012 . 1 . . 17 . A 19 GLU H . 30457 1
194 . 1 1 19 19 GLU HA H 1 3.999 0.01 . 1 . . 382 . A 19 GLU HA . 30457 1
195 . 1 1 19 19 GLU HB2 H 1 2.232 0.008 . 2 . . 383 . A 19 GLU HB2 . 30457 1
196 . 1 1 19 19 GLU HB3 H 1 2.083 0.016 . 2 . . 384 . A 19 GLU HB3 . 30457 1
197 . 1 1 19 19 GLU HG2 H 1 2.230 0.008 . 1 . . 575 . A 19 GLU HG2 . 30457 1
198 . 1 1 19 19 GLU HG3 H 1 2.232 0.009 . 1 . . 576 . A 19 GLU HG3 . 30457 1
199 . 1 1 19 19 GLU C C 13 178.665 0.015 . 1 . . 215 . A 19 GLU C . 30457 1
200 . 1 1 19 19 GLU CA C 13 60.544 0.122 . 1 . . 214 . A 19 GLU CA . 30457 1
201 . 1 1 19 19 GLU CB C 13 29.675 0.134 . 1 . . 216 . A 19 GLU CB . 30457 1
202 . 1 1 19 19 GLU CG C 13 36.273 0.04 . 1 . . 574 . A 19 GLU CG . 30457 1
203 . 1 1 19 19 GLU N N 15 117.561 0.062 . 1 . . 18 . A 19 GLU N . 30457 1
204 . 1 1 20 20 GLN H H 1 8.104 0.005 . 1 . . 117 . A 20 GLN H . 30457 1
205 . 1 1 20 20 GLN HA H 1 4.099 0.014 . 1 . . 393 . A 20 GLN HA . 30457 1
206 . 1 1 20 20 GLN HB2 H 1 2.183 0.022 . 1 . . 394 . A 20 GLN HB2 . 30457 1
207 . 1 1 20 20 GLN HB3 H 1 2.183 0.022 . 1 . . 395 . A 20 GLN HB3 . 30457 1
208 . 1 1 20 20 GLN HG2 H 1 2.493 0.004 . 1 . . 578 . A 20 GLN HG2 . 30457 1
209 . 1 1 20 20 GLN HG3 H 1 2.493 0.004 . 1 . . 577 . A 20 GLN HG3 . 30457 1
210 . 1 1 20 20 GLN C C 13 179.215 0.019 . 1 . . 180 . A 20 GLN C . 30457 1
211 . 1 1 20 20 GLN CA C 13 59.417 0.135 . 1 . . 255 . A 20 GLN CA . 30457 1
212 . 1 1 20 20 GLN CB C 13 28.244 0.147 . 1 . . 181 . A 20 GLN CB . 30457 1
213 . 1 1 20 20 GLN CG C 13 34.451 0.165 . 1 . . 579 . A 20 GLN CG . 30457 1
214 . 1 1 20 20 GLN N N 15 118.656 0.09 . 1 . . 118 . A 20 GLN N . 30457 1
215 . 1 1 21 21 GLU H H 1 8.439 0.007 . 1 . . 11 . A 21 GLU H . 30457 1
216 . 1 1 21 21 GLU HA H 1 4.037 0.007 . 1 . . 374 . A 21 GLU HA . 30457 1
217 . 1 1 21 21 GLU HB2 H 1 2.316 0.009 . 2 . . 375 . A 21 GLU HB2 . 30457 1
218 . 1 1 21 21 GLU HB3 H 1 2.011 0.013 . 2 . . 376 . A 21 GLU HB3 . 30457 1
219 . 1 1 21 21 GLU HG2 H 1 2.543 0.011 . 1 . . 565 . A 21 GLU HG2 . 30457 1
220 . 1 1 21 21 GLU HG3 H 1 2.543 0.011 . 1 . . 564 . A 21 GLU HG3 . 30457 1
221 . 1 1 21 21 GLU C C 13 180.225 0.004 . 1 . . 173 . A 21 GLU C . 30457 1
222 . 1 1 21 21 GLU CA C 13 59.290 0.11 . 1 . . 254 . A 21 GLU CA . 30457 1
223 . 1 1 21 21 GLU CB C 13 29.930 0.107 . 1 . . 172 . A 21 GLU CB . 30457 1
224 . 1 1 21 21 GLU CG C 13 36.956 0.216 . 1 . . 563 . A 21 GLU CG . 30457 1
225 . 1 1 21 21 GLU N N 15 121.213 0.067 . 1 . . 12 . A 21 GLU N . 30457 1
226 . 1 1 22 22 LEU H H 1 8.712 0.009 . 1 . . 1 . A 22 LEU H . 30457 1
227 . 1 1 22 22 LEU HA H 1 4.055 0.004 . 1 . . 385 . A 22 LEU HA . 30457 1
228 . 1 1 22 22 LEU HB2 H 1 2.109 0.009 . 2 . . 386 . A 22 LEU HB2 . 30457 1
229 . 1 1 22 22 LEU HB3 H 1 1.489 0.014 . 2 . . 387 . A 22 LEU HB3 . 30457 1
230 . 1 1 22 22 LEU HG H 1 1.833 0.01 . 1 . . 641 . A 22 LEU HG . 30457 1
231 . 1 1 22 22 LEU HD11 H 1 0.752 0.019 . 2 . . 642 . A 22 LEU HD11 . 30457 1
232 . 1 1 22 22 LEU HD12 H 1 0.752 0.019 . 2 . . 642 . A 22 LEU HD12 . 30457 1
233 . 1 1 22 22 LEU HD13 H 1 0.752 0.019 . 2 . . 642 . A 22 LEU HD13 . 30457 1
234 . 1 1 22 22 LEU HD21 H 1 0.759 0.016 . 2 . . 643 . A 22 LEU HD21 . 30457 1
235 . 1 1 22 22 LEU HD22 H 1 0.759 0.016 . 2 . . 643 . A 22 LEU HD22 . 30457 1
236 . 1 1 22 22 LEU HD23 H 1 0.759 0.016 . 2 . . 643 . A 22 LEU HD23 . 30457 1
237 . 1 1 22 22 LEU C C 13 178.487 0.015 . 1 . . 178 . A 22 LEU C . 30457 1
238 . 1 1 22 22 LEU CA C 13 58.803 0.126 . 1 . . 177 . A 22 LEU CA . 30457 1
239 . 1 1 22 22 LEU CB C 13 42.799 0.119 . 1 . . 179 . A 22 LEU CB . 30457 1
240 . 1 1 22 22 LEU CG C 13 25.548 0.106 . 1 . . 587 . A 22 LEU CG . 30457 1
241 . 1 1 22 22 LEU N N 15 120.439 0.049 . 1 . . 2 . A 22 LEU N . 30457 1
242 . 1 1 23 23 LYS H H 1 8.028 0.008 . 1 . . 5 . A 23 LYS H . 30457 1
243 . 1 1 23 23 LYS HA H 1 3.962 0.015 . 1 . . 379 . A 23 LYS HA . 30457 1
244 . 1 1 23 23 LYS HB2 H 1 2.049 0.015 . 1 . . 380 . A 23 LYS HB2 . 30457 1
245 . 1 1 23 23 LYS HB3 H 1 2.045 0.017 . 1 . . 381 . A 23 LYS HB3 . 30457 1
246 . 1 1 23 23 LYS HG2 H 1 1.570 0.006 . 2 . . 652 . A 23 LYS HG2 . 30457 1
247 . 1 1 23 23 LYS HG3 H 1 1.764 0.011 . 2 . . 747 . A 23 LYS HG3 . 30457 1
248 . 1 1 23 23 LYS HD2 H 1 1.777 0.01 . 1 . . 749 . A 23 LYS HD2 . 30457 1
249 . 1 1 23 23 LYS HD3 H 1 1.777 0.009 . 1 . . 748 . A 23 LYS HD3 . 30457 1
250 . 1 1 23 23 LYS HE2 H 1 3.062 0.003 . 1 . . 744 . A 23 LYS HE2 . 30457 1
251 . 1 1 23 23 LYS HE3 H 1 3.061 0.001 . 1 . . 743 . A 23 LYS HE3 . 30457 1
252 . 1 1 23 23 LYS C C 13 178.948 0.018 . 1 . . 192 . A 23 LYS C . 30457 1
253 . 1 1 23 23 LYS CA C 13 60.396 0.166 . 1 . . 190 . A 23 LYS CA . 30457 1
254 . 1 1 23 23 LYS CB C 13 32.412 0.103 . 1 . . 191 . A 23 LYS CB . 30457 1
255 . 1 1 23 23 LYS CG C 13 26.373 0.089 . 1 . . 746 . A 23 LYS CG . 30457 1
256 . 1 1 23 23 LYS CD C 13 29.869 0.135 . 1 . . 750 . A 23 LYS CD . 30457 1
257 . 1 1 23 23 LYS CE C 13 42.441 0.155 . 1 . . 745 . A 23 LYS CE . 30457 1
258 . 1 1 23 23 LYS N N 15 118.122 0.041 . 1 . . 6 . A 23 LYS N . 30457 1
259 . 1 1 24 24 LYS H H 1 8.118 0.01 . 1 . . 65 . A 24 LYS H . 30457 1
260 . 1 1 24 24 LYS HA H 1 4.007 0.01 . 1 . . 346 . A 24 LYS HA . 30457 1
261 . 1 1 24 24 LYS HB2 H 1 1.921 0.009 . 1 . . 506 . A 24 LYS HB2 . 30457 1
262 . 1 1 24 24 LYS HB3 H 1 1.922 0.007 . 1 . . 347 . A 24 LYS HB3 . 30457 1
263 . 1 1 24 24 LYS HG2 H 1 1.439 0.004 . 2 . . 740 . A 24 LYS HG2 . 30457 1
264 . 1 1 24 24 LYS HG3 H 1 1.667 0.011 . 2 . . 742 . A 24 LYS HG3 . 30457 1
265 . 1 1 24 24 LYS HE2 H 1 2.959 0.01 . 1 . . 739 . A 24 LYS HE2 . 30457 1
266 . 1 1 24 24 LYS HE3 H 1 2.959 0.01 . 1 . . 738 . A 24 LYS HE3 . 30457 1
267 . 1 1 24 24 LYS C C 13 179.543 0.018 . 1 . . 212 . A 24 LYS C . 30457 1
268 . 1 1 24 24 LYS CA C 13 60.047 0.164 . 1 . . 213 . A 24 LYS CA . 30457 1
269 . 1 1 24 24 LYS CB C 13 32.585 0.049 . 1 . . 171 . A 24 LYS CB . 30457 1
270 . 1 1 24 24 LYS CG C 13 26.349 0.008 . 1 . . 741 . A 24 LYS CG . 30457 1
271 . 1 1 24 24 LYS CE C 13 42.639 0.116 . 1 . . 242 . A 24 LYS CE . 30457 1
272 . 1 1 24 24 LYS N N 15 119.747 0.105 . 1 . . 66 . A 24 LYS N . 30457 1
273 . 1 1 25 25 GLY H H 1 8.379 0.006 . 1 . . 7 . A 25 GLY H . 30457 1
274 . 1 1 25 25 GLY HA2 H 1 3.950 0.014 . 1 . . 396 . A 25 GLY HA2 . 30457 1
275 . 1 1 25 25 GLY HA3 H 1 3.956 0.012 . 1 . . 397 . A 25 GLY HA3 . 30457 1
276 . 1 1 25 25 GLY C C 13 176.364 0.012 . 1 . . 210 . A 25 GLY C . 30457 1
277 . 1 1 25 25 GLY CA C 13 47.420 0.125 . 1 . . 211 . A 25 GLY CA . 30457 1
278 . 1 1 25 25 GLY N N 15 108.058 0.05 . 1 . . 8 . A 25 GLY N . 30457 1
279 . 1 1 26 26 TYR H H 1 8.567 0.011 . 1 . . 123 . A 26 TYR H . 30457 1
280 . 1 1 26 26 TYR HA H 1 4.149 0.013 . 1 . . 492 . A 26 TYR HA . 30457 1
281 . 1 1 26 26 TYR HB2 H 1 2.796 0.005 . 2 . . 493 . A 26 TYR HB2 . 30457 1
282 . 1 1 26 26 TYR HB3 H 1 2.575 0.009 . 2 . . 494 . A 26 TYR HB3 . 30457 1
283 . 1 1 26 26 TYR HD1 H 1 6.427 0.014 . 1 . . 720 . A 26 TYR HD1 . 30457 1
284 . 1 1 26 26 TYR HD2 H 1 6.427 0.014 . 1 . . 720 . A 26 TYR HD2 . 30457 1
285 . 1 1 26 26 TYR HE1 H 1 6.409 0.029 . 1 . . 721 . A 26 TYR HE1 . 30457 1
286 . 1 1 26 26 TYR HE2 H 1 6.409 0.029 . 1 . . 721 . A 26 TYR HE2 . 30457 1
287 . 1 1 26 26 TYR C C 13 175.952 0.021 . 1 . . 207 . A 26 TYR C . 30457 1
288 . 1 1 26 26 TYR CA C 13 60.949 0.138 . 1 . . 208 . A 26 TYR CA . 30457 1
289 . 1 1 26 26 TYR CB C 13 38.626 0.147 . 1 . . 209 . A 26 TYR CB . 30457 1
290 . 1 1 26 26 TYR CD1 C 13 132.506 . . 1 . . 765 . A 26 TYR CD1 . 30457 1
291 . 1 1 26 26 TYR CD2 C 13 132.506 . . 1 . . 765 . A 26 TYR CD2 . 30457 1
292 . 1 1 26 26 TYR CE1 C 13 117.340 . . 1 . . 766 . A 26 TYR CE1 . 30457 1
293 . 1 1 26 26 TYR CE2 C 13 117.340 . . 1 . . 766 . A 26 TYR CE2 . 30457 1
294 . 1 1 26 26 TYR N N 15 121.971 0.058 . 1 . . 124 . A 26 TYR N . 30457 1
295 . 1 1 27 27 ARG H H 1 8.233 0.01 . 1 . . 125 . A 27 ARG H . 30457 1
296 . 1 1 27 27 ARG HA H 1 3.511 0.006 . 1 . . 491 . A 27 ARG HA . 30457 1
297 . 1 1 27 27 ARG HB2 H 1 1.842 0.014 . 1 . . 490 . A 27 ARG HB2 . 30457 1
298 . 1 1 27 27 ARG HB3 H 1 1.842 0.013 . 1 . . 511 . A 27 ARG HB3 . 30457 1
299 . 1 1 27 27 ARG HG2 H 1 1.575 0.017 . 1 . . 654 . A 27 ARG HG2 . 30457 1
300 . 1 1 27 27 ARG HG3 H 1 1.573 0.016 . 1 . . 655 . A 27 ARG HG3 . 30457 1
301 . 1 1 27 27 ARG HD2 H 1 3.146 0.009 . 1 . . 657 . A 27 ARG HD2 . 30457 1
302 . 1 1 27 27 ARG HD3 H 1 3.146 0.009 . 1 . . 656 . A 27 ARG HD3 . 30457 1
303 . 1 1 27 27 ARG C C 13 178.912 0.009 . 1 . . 204 . A 27 ARG C . 30457 1
304 . 1 1 27 27 ARG CA C 13 59.566 0.131 . 1 . . 205 . A 27 ARG CA . 30457 1
305 . 1 1 27 27 ARG CB C 13 29.771 0.206 . 1 . . 206 . A 27 ARG CB . 30457 1
306 . 1 1 27 27 ARG CG C 13 27.631 0.081 . 1 . . 602 . A 27 ARG CG . 30457 1
307 . 1 1 27 27 ARG CD C 13 43.509 0.104 . 1 . . 601 . A 27 ARG CD . 30457 1
308 . 1 1 27 27 ARG N N 15 118.207 0.04 . 1 . . 126 . A 27 ARG N . 30457 1
309 . 1 1 28 28 LYS H H 1 7.727 0.009 . 1 . . 119 . A 28 LYS H . 30457 1
310 . 1 1 28 28 LYS HA H 1 3.925 0.012 . 1 . . 390 . A 28 LYS HA . 30457 1
311 . 1 1 28 28 LYS HB2 H 1 1.906 0.008 . 1 . . 388 . A 28 LYS HB2 . 30457 1
312 . 1 1 28 28 LYS HB3 H 1 1.903 0.004 . 1 . . 389 . A 28 LYS HB3 . 30457 1
313 . 1 1 28 28 LYS C C 13 178.946 0.015 . 1 . . 203 . A 28 LYS C . 30457 1
314 . 1 1 28 28 LYS CA C 13 59.571 0.099 . 1 . . 170 . A 28 LYS CA . 30457 1
315 . 1 1 28 28 LYS CB C 13 32.623 0.048 . 1 . . 202 . A 28 LYS CB . 30457 1
316 . 1 1 28 28 LYS CG C 13 25.081 0.019 . 1 . . 618 . A 28 LYS CG . 30457 1
317 . 1 1 28 28 LYS CD C 13 29.460 . . 1 . . 617 . A 28 LYS CD . 30457 1
318 . 1 1 28 28 LYS CE C 13 42.094 . . 1 . . 616 . A 28 LYS CE . 30457 1
319 . 1 1 28 28 LYS N N 15 117.437 0.061 . 1 . . 120 . A 28 LYS N . 30457 1
320 . 1 1 29 29 ALA H H 1 8.026 0.007 . 1 . . 9 . A 29 ALA H . 30457 1
321 . 1 1 29 29 ALA HA H 1 4.165 0.004 . 1 . . 370 . A 29 ALA HA . 30457 1
322 . 1 1 29 29 ALA HB1 H 1 1.617 0.012 . 1 . . 369 . A 29 ALA HB1 . 30457 1
323 . 1 1 29 29 ALA HB2 H 1 1.617 0.012 . 1 . . 369 . A 29 ALA HB2 . 30457 1
324 . 1 1 29 29 ALA HB3 H 1 1.617 0.012 . 1 . . 369 . A 29 ALA HB3 . 30457 1
325 . 1 1 29 29 ALA C C 13 179.388 0.015 . 1 . . 199 . A 29 ALA C . 30457 1
326 . 1 1 29 29 ALA CA C 13 54.981 0.132 . 1 . . 201 . A 29 ALA CA . 30457 1
327 . 1 1 29 29 ALA CB C 13 18.739 0.197 . 1 . . 200 . A 29 ALA CB . 30457 1
328 . 1 1 29 29 ALA N N 15 122.578 0.073 . 1 . . 10 . A 29 ALA N . 30457 1
329 . 1 1 30 30 ALA H H 1 8.880 0.008 . 1 . . 91 . A 30 ALA H . 30457 1
330 . 1 1 30 30 ALA HA H 1 3.939 0.014 . 1 . . 479 . A 30 ALA HA . 30457 1
331 . 1 1 30 30 ALA HB1 H 1 1.081 0.005 . 1 . . 480 . A 30 ALA HB1 . 30457 1
332 . 1 1 30 30 ALA HB2 H 1 1.081 0.005 . 1 . . 480 . A 30 ALA HB2 . 30457 1
333 . 1 1 30 30 ALA HB3 H 1 1.081 0.005 . 1 . . 480 . A 30 ALA HB3 . 30457 1
334 . 1 1 30 30 ALA C C 13 179.708 0.022 . 1 . . 196 . A 30 ALA C . 30457 1
335 . 1 1 30 30 ALA CA C 13 55.193 0.16 . 1 . . 197 . A 30 ALA CA . 30457 1
336 . 1 1 30 30 ALA CB C 13 17.818 0.155 . 1 . . 198 . A 30 ALA CB . 30457 1
337 . 1 1 30 30 ALA N N 15 120.514 0.037 . 1 . . 92 . A 30 ALA N . 30457 1
338 . 1 1 31 31 LEU H H 1 7.420 0.01 . 1 . . 79 . A 31 LEU H . 30457 1
339 . 1 1 31 31 LEU HA H 1 3.982 0.011 . 1 . . 512 . A 31 LEU HA . 30457 1
340 . 1 1 31 31 LEU HB2 H 1 1.752 0.009 . 2 . . 513 . A 31 LEU HB2 . 30457 1
341 . 1 1 31 31 LEU HB3 H 1 1.500 0.012 . 2 . . 514 . A 31 LEU HB3 . 30457 1
342 . 1 1 31 31 LEU HG H 1 1.719 0.02 . 1 . . 582 . A 31 LEU HG . 30457 1
343 . 1 1 31 31 LEU HD11 H 1 0.819 0.007 . 1 . . 584 . A 31 LEU HD11 . 30457 1
344 . 1 1 31 31 LEU HD12 H 1 0.819 0.007 . 1 . . 584 . A 31 LEU HD12 . 30457 1
345 . 1 1 31 31 LEU HD13 H 1 0.819 0.007 . 1 . . 584 . A 31 LEU HD13 . 30457 1
346 . 1 1 31 31 LEU C C 13 178.228 0.015 . 1 . . 336 . A 31 LEU C . 30457 1
347 . 1 1 31 31 LEU CA C 13 57.461 0.119 . 1 . . 335 . A 31 LEU CA . 30457 1
348 . 1 1 31 31 LEU CB C 13 42.240 0.169 . 1 . . 334 . A 31 LEU CB . 30457 1
349 . 1 1 31 31 LEU CD1 C 13 24.580 0.01 . 1 . . 653 . A 31 LEU CD1 . 30457 1
350 . 1 1 31 31 LEU CD2 C 13 25.126 0.764 . 1 . . 583 . A 31 LEU CD2 . 30457 1
351 . 1 1 31 31 LEU N N 15 116.332 0.045 . 1 . . 80 . A 31 LEU N . 30457 1
352 . 1 1 32 32 LYS H H 1 7.133 0.008 . 1 . . 121 . A 32 LYS H . 30457 1
353 . 1 1 32 32 LYS HA H 1 3.874 0.008 . 1 . . 474 . A 32 LYS HA . 30457 1
354 . 1 1 32 32 LYS HB2 H 1 1.445 0.006 . 2 . . 475 . A 32 LYS HB2 . 30457 1
355 . 1 1 32 32 LYS HB3 H 1 1.302 0.012 . 2 . . 476 . A 32 LYS HB3 . 30457 1
356 . 1 1 32 32 LYS HG2 H 1 1.432 0.023 . 1 . . 665 . A 32 LYS HG2 . 30457 1
357 . 1 1 32 32 LYS HG3 H 1 1.432 0.027 . 1 . . 664 . A 32 LYS HG3 . 30457 1
358 . 1 1 32 32 LYS HE2 H 1 2.754 0.008 . 1 . . 673 . A 32 LYS HE2 . 30457 1
359 . 1 1 32 32 LYS HE3 H 1 2.754 0.008 . 1 . . 674 . A 32 LYS HE3 . 30457 1
360 . 1 1 32 32 LYS C C 13 177.822 0.019 . 1 . . 340 . A 32 LYS C . 30457 1
361 . 1 1 32 32 LYS CA C 13 58.244 0.165 . 1 . . 341 . A 32 LYS CA . 30457 1
362 . 1 1 32 32 LYS CB C 13 33.017 0.084 . 1 . . 289 . A 32 LYS CB . 30457 1
363 . 1 1 32 32 LYS CG C 13 24.573 0.067 . 1 . . 621 . A 32 LYS CG . 30457 1
364 . 1 1 32 32 LYS CD C 13 29.100 0.003 . 1 . . 620 . A 32 LYS CD . 30457 1
365 . 1 1 32 32 LYS CE C 13 42.295 0.05 . 1 . . 619 . A 32 LYS CE . 30457 1
366 . 1 1 32 32 LYS N N 15 116.404 0.085 . 1 . . 122 . A 32 LYS N . 30457 1
367 . 1 1 33 33 TYR H H 1 7.777 0.012 . 1 . . 67 . A 33 TYR H . 30457 1
368 . 1 1 33 33 TYR HA H 1 4.765 0.023 . 1 . . 398 . A 33 TYR HA . 30457 1
369 . 1 1 33 33 TYR HB2 H 1 3.583 0.008 . 2 . . 399 . A 33 TYR HB2 . 30457 1
370 . 1 1 33 33 TYR HB3 H 1 2.585 0.009 . 2 . . 400 . A 33 TYR HB3 . 30457 1
371 . 1 1 33 33 TYR HE1 H 1 6.900 0.003 . 1 . . 722 . A 33 TYR HE1 . 30457 1
372 . 1 1 33 33 TYR HE2 H 1 6.900 0.003 . 1 . . 722 . A 33 TYR HE2 . 30457 1
373 . 1 1 33 33 TYR C C 13 174.921 0.018 . 1 . . 294 . A 33 TYR C . 30457 1
374 . 1 1 33 33 TYR CA C 13 58.228 0.14 . 1 . . 293 . A 33 TYR CA . 30457 1
375 . 1 1 33 33 TYR CB C 13 39.559 0.179 . 1 . . 437 . A 33 TYR CB . 30457 1
376 . 1 1 33 33 TYR CE1 C 13 118.169 . . 1 . . 768 . A 33 TYR CE1 . 30457 1
377 . 1 1 33 33 TYR CE2 C 13 118.169 . . 1 . . 768 . A 33 TYR CE2 . 30457 1
378 . 1 1 33 33 TYR N N 15 113.105 0.102 . 1 . . 68 . A 33 TYR N . 30457 1
379 . 1 1 34 34 HIS H H 1 7.604 0.006 . 1 . . 69 . A 34 HIS H . 30457 1
380 . 1 1 34 34 HIS HA H 1 3.594 0.011 . 1 . . 708 . A 34 HIS HA . 30457 1
381 . 1 1 34 34 HIS HB2 H 1 2.695 0.014 . 2 . . 706 . A 34 HIS HB2 . 30457 1
382 . 1 1 34 34 HIS HB3 H 1 3.147 0.004 . 2 . . 707 . A 34 HIS HB3 . 30457 1
383 . 1 1 34 34 HIS HD2 H 1 6.761 . . 1 . . 771 . A 34 HIS HD2 . 30457 1
384 . 1 1 34 34 HIS HE1 H 1 7.590 . . 1 . . 769 . A 34 HIS HE1 . 30457 1
385 . 1 1 34 34 HIS CA C 13 56.899 0.15 . 1 . . 439 . A 34 HIS CA . 30457 1
386 . 1 1 34 34 HIS CB C 13 31.142 0.17 . 1 . . 438 . A 34 HIS CB . 30457 1
387 . 1 1 34 34 HIS CD2 C 13 118.136 . . 1 . . 772 . A 34 HIS CD2 . 30457 1
388 . 1 1 34 34 HIS CE1 C 13 138.934 . . 1 . . 770 . A 34 HIS CE1 . 30457 1
389 . 1 1 34 34 HIS N N 15 122.795 0.102 . 1 . . 70 . A 34 HIS N . 30457 1
390 . 1 1 36 36 ASP HA H 1 4.578 0.012 . 1 . . 705 . A 36 ASP HA . 30457 1
391 . 1 1 36 36 ASP HB2 H 1 2.674 0.01 . 2 . . 713 . A 36 ASP HB2 . 30457 1
392 . 1 1 36 36 ASP HB3 H 1 2.580 0.004 . 2 . . 714 . A 36 ASP HB3 . 30457 1
393 . 1 1 36 36 ASP C C 13 175.237 0.011 . 1 . . 292 . A 36 ASP C . 30457 1
394 . 1 1 36 36 ASP CA C 13 54.548 0.093 . 1 . . 702 . A 36 ASP CA . 30457 1
395 . 1 1 36 36 ASP CB C 13 40.971 0.169 . 1 . . 701 . A 36 ASP CB . 30457 1
396 . 1 1 37 37 LYS H H 1 7.666 0.005 . 1 . . 95 . A 37 LYS H . 30457 1
397 . 1 1 37 37 LYS C C 13 181.508 . . 1 . . 755 . A 37 LYS C . 30457 1
398 . 1 1 37 37 LYS CA C 13 57.738 . . 1 . . 700 . A 37 LYS CA . 30457 1
399 . 1 1 37 37 LYS CB C 13 33.677 . . 1 . . 699 . A 37 LYS CB . 30457 1
400 . 1 1 37 37 LYS N N 15 126.067 0.052 . 1 . . 96 . A 37 LYS N . 30457 1
401 . 1 1 38 38 PRO HA H 1 4.427 0.014 . 1 . . 499 . A 38 PRO HA . 30457 1
402 . 1 1 38 38 PRO HB2 H 1 2.007 0.009 . 2 . . 498 . A 38 PRO HB2 . 30457 1
403 . 1 1 38 38 PRO HB3 H 1 2.423 0.005 . 2 . . 515 . A 38 PRO HB3 . 30457 1
404 . 1 1 38 38 PRO HG2 H 1 2.114 0.003 . 1 . . 679 . A 38 PRO HG2 . 30457 1
405 . 1 1 38 38 PRO HG3 H 1 2.108 0.014 . 1 . . 678 . A 38 PRO HG3 . 30457 1
406 . 1 1 38 38 PRO HD2 H 1 3.892 0.004 . 2 . . 688 . A 38 PRO HD2 . 30457 1
407 . 1 1 38 38 PRO HD3 H 1 3.803 0.013 . 2 . . 689 . A 38 PRO HD3 . 30457 1
408 . 1 1 38 38 PRO C C 13 177.681 . . 1 . . 757 . A 38 PRO C . 30457 1
409 . 1 1 38 38 PRO CA C 13 65.160 0.189 . 1 . . 440 . A 38 PRO CA . 30457 1
410 . 1 1 38 38 PRO CB C 13 31.965 0.151 . 1 . . 251 . A 38 PRO CB . 30457 1
411 . 1 1 38 38 PRO CG C 13 27.826 0.202 . 1 . . 677 . A 38 PRO CG . 30457 1
412 . 1 1 38 38 PRO CD C 13 50.441 0.073 . 1 . . 676 . A 38 PRO CD . 30457 1
413 . 1 1 39 39 THR H H 1 6.956 0.01 . 1 . . 139 . A 39 THR H . 30457 1
414 . 1 1 39 39 THR HA H 1 4.381 0.007 . 1 . . 430 . A 39 THR HA . 30457 1
415 . 1 1 39 39 THR HB H 1 4.523 0.009 . 1 . . 429 . A 39 THR HB . 30457 1
416 . 1 1 39 39 THR HG21 H 1 1.161 0.01 . 1 . . 646 . A 39 THR HG21 . 30457 1
417 . 1 1 39 39 THR HG22 H 1 1.161 0.01 . 1 . . 646 . A 39 THR HG22 . 30457 1
418 . 1 1 39 39 THR HG23 H 1 1.161 0.01 . 1 . . 646 . A 39 THR HG23 . 30457 1
419 . 1 1 39 39 THR C C 13 174.396 0.017 . 1 . . 250 . A 39 THR C . 30457 1
420 . 1 1 39 39 THR CA C 13 60.554 0.121 . 1 . . 249 . A 39 THR CA . 30457 1
421 . 1 1 39 39 THR CB C 13 68.674 0.148 . 1 . . 252 . A 39 THR CB . 30457 1
422 . 1 1 39 39 THR CG2 C 13 21.433 0.041 . 1 . . 600 . A 39 THR CG2 . 30457 1
423 . 1 1 39 39 THR N N 15 103.868 0.057 . 1 . . 140 . A 39 THR N . 30457 1
424 . 1 1 40 40 GLY H H 1 7.838 0.008 . 1 . . 99 . A 40 GLY H . 30457 1
425 . 1 1 40 40 GLY HA2 H 1 3.795 0.003 . 1 . . 378 . A 40 GLY HA2 . 30457 1
426 . 1 1 40 40 GLY HA3 H 1 3.794 0.003 . 1 . . 377 . A 40 GLY HA3 . 30457 1
427 . 1 1 40 40 GLY C C 13 173.267 0.016 . 1 . . 253 . A 40 GLY C . 30457 1
428 . 1 1 40 40 GLY CA C 13 46.237 0.138 . 1 . . 244 . A 40 GLY CA . 30457 1
429 . 1 1 40 40 GLY N N 15 109.377 0.057 . 1 . . 100 . A 40 GLY N . 30457 1
430 . 1 1 41 41 ASP H H 1 8.321 0.005 . 1 . . 47 . A 41 ASP H . 30457 1
431 . 1 1 41 41 ASP HB2 H 1 2.759 0.007 . 1 . . 517 . A 41 ASP HB2 . 30457 1
432 . 1 1 41 41 ASP C C 13 175.599 . . 1 . . 267 . A 41 ASP C . 30457 1
433 . 1 1 41 41 ASP CA C 13 54.307 . . 1 . . 265 . A 41 ASP CA . 30457 1
434 . 1 1 41 41 ASP CB C 13 43.966 0.011 . 1 . . 266 . A 41 ASP CB . 30457 1
435 . 1 1 41 41 ASP N N 15 119.367 0.061 . 1 . . 48 . A 41 ASP N . 30457 1
436 . 1 1 42 42 THR HA H 1 3.862 0.006 . 1 . . 392 . A 42 THR HA . 30457 1
437 . 1 1 42 42 THR HB H 1 4.194 0.013 . 1 . . 391 . A 42 THR HB . 30457 1
438 . 1 1 42 42 THR HG21 H 1 1.283 0.004 . 1 . . 541 . A 42 THR HG21 . 30457 1
439 . 1 1 42 42 THR HG22 H 1 1.283 0.004 . 1 . . 541 . A 42 THR HG22 . 30457 1
440 . 1 1 42 42 THR HG23 H 1 1.283 0.004 . 1 . . 541 . A 42 THR HG23 . 30457 1
441 . 1 1 42 42 THR C C 13 176.206 . . 1 . . 758 . A 42 THR C . 30457 1
442 . 1 1 42 42 THR CA C 13 66.694 0.206 . 1 . . 534 . A 42 THR CA . 30457 1
443 . 1 1 42 42 THR CB C 13 68.866 0.238 . 1 . . 535 . A 42 THR CB . 30457 1
444 . 1 1 42 42 THR CG2 C 13 22.096 0.02 . 1 . . 542 . A 42 THR CG2 . 30457 1
445 . 1 1 43 43 GLU H H 1 8.169 0.006 . 1 . . 111 . A 43 GLU H . 30457 1
446 . 1 1 43 43 GLU HA H 1 4.083 0.009 . 1 . . 503 . A 43 GLU HA . 30457 1
447 . 1 1 43 43 GLU HB2 H 1 2.085 0.003 . 1 . . 581 . A 43 GLU HB2 . 30457 1
448 . 1 1 43 43 GLU HB3 H 1 2.083 0.004 . 1 . . 580 . A 43 GLU HB3 . 30457 1
449 . 1 1 43 43 GLU HG2 H 1 2.300 0.01 . 1 . . 555 . A 43 GLU HG2 . 30457 1
450 . 1 1 43 43 GLU HG3 H 1 2.302 0.01 . 1 . . 556 . A 43 GLU HG3 . 30457 1
451 . 1 1 43 43 GLU C C 13 179.483 0.017 . 1 . . 311 . A 43 GLU C . 30457 1
452 . 1 1 43 43 GLU CA C 13 59.446 0.016 . 1 . . 310 . A 43 GLU CA . 30457 1
453 . 1 1 43 43 GLU CB C 13 29.202 0.174 . 1 . . 312 . A 43 GLU CB . 30457 1
454 . 1 1 43 43 GLU CG C 13 36.419 0.142 . 1 . . 554 . A 43 GLU CG . 30457 1
455 . 1 1 43 43 GLU N N 15 121.775 0.067 . 1 . . 112 . A 43 GLU N . 30457 1
456 . 1 1 44 44 LYS H H 1 8.259 0.011 . 1 . . 193 . A 44 LYS H . 30457 1
457 . 1 1 44 44 LYS HA H 1 3.984 0.011 . 1 . . 371 . A 44 LYS HA . 30457 1
458 . 1 1 44 44 LYS HB2 H 1 1.397 0.009 . 2 . . 372 . A 44 LYS HB2 . 30457 1
459 . 1 1 44 44 LYS HB3 H 1 1.028 0.031 . 2 . . 373 . A 44 LYS HB3 . 30457 1
460 . 1 1 44 44 LYS HG2 H 1 1.117 0.002 . 1 . . 670 . A 44 LYS HG2 . 30457 1
461 . 1 1 44 44 LYS HG3 H 1 1.117 0.002 . 1 . . 669 . A 44 LYS HG3 . 30457 1
462 . 1 1 44 44 LYS HD2 H 1 1.242 0.008 . 1 . . 672 . A 44 LYS HD2 . 30457 1
463 . 1 1 44 44 LYS HD3 H 1 1.240 0.009 . 1 . . 671 . A 44 LYS HD3 . 30457 1
464 . 1 1 44 44 LYS HE2 H 1 2.743 0.008 . 1 . . 667 . A 44 LYS HE2 . 30457 1
465 . 1 1 44 44 LYS HE3 H 1 2.745 0.009 . 1 . . 668 . A 44 LYS HE3 . 30457 1
466 . 1 1 44 44 LYS C C 13 179.104 0.012 . 1 . . 308 . A 44 LYS C . 30457 1
467 . 1 1 44 44 LYS CA C 13 58.359 0.178 . 1 . . 307 . A 44 LYS CA . 30457 1
468 . 1 1 44 44 LYS CB C 13 31.626 0.153 . 1 . . 309 . A 44 LYS CB . 30457 1
469 . 1 1 44 44 LYS CG C 13 24.599 0.031 . 1 . . 623 . A 44 LYS CG . 30457 1
470 . 1 1 44 44 LYS CD C 13 28.262 0.077 . 1 . . 624 . A 44 LYS CD . 30457 1
471 . 1 1 44 44 LYS CE C 13 42.160 0.175 . 1 . . 622 . A 44 LYS CE . 30457 1
472 . 1 1 44 44 LYS N N 15 121.079 0.127 . 1 . . 194 . A 44 LYS N . 30457 1
473 . 1 1 45 45 PHE H H 1 8.752 0.013 . 1 . . 97 . A 45 PHE H . 30457 1
474 . 1 1 45 45 PHE HA H 1 4.081 0.012 . 1 . . 520 . A 45 PHE HA . 30457 1
475 . 1 1 45 45 PHE HB2 H 1 3.008 0.008 . 2 . . 519 . A 45 PHE HB2 . 30457 1
476 . 1 1 45 45 PHE HB3 H 1 3.350 0.015 . 2 . . 518 . A 45 PHE HB3 . 30457 1
477 . 1 1 45 45 PHE HD1 H 1 7.104 0.02 . 1 . . 723 . A 45 PHE HD1 . 30457 1
478 . 1 1 45 45 PHE HD2 H 1 7.104 0.02 . 1 . . 723 . A 45 PHE HD2 . 30457 1
479 . 1 1 45 45 PHE HE1 H 1 7.297 . . 1 . . 724 . A 45 PHE HE1 . 30457 1
480 . 1 1 45 45 PHE HE2 H 1 7.297 . . 1 . . 724 . A 45 PHE HE2 . 30457 1
481 . 1 1 45 45 PHE C C 13 178.447 0.008 . 1 . . 298 . A 45 PHE C . 30457 1
482 . 1 1 45 45 PHE CA C 13 62.030 0.154 . 1 . . 300 . A 45 PHE CA . 30457 1
483 . 1 1 45 45 PHE CB C 13 39.145 0.201 . 1 . . 299 . A 45 PHE CB . 30457 1
484 . 1 1 45 45 PHE CD1 C 13 131.641 . . 1 . . 774 . A 45 PHE CD1 . 30457 1
485 . 1 1 45 45 PHE CD2 C 13 131.641 . . 1 . . 774 . A 45 PHE CD2 . 30457 1
486 . 1 1 45 45 PHE N N 15 118.792 0.059 . 1 . . 98 . A 45 PHE N . 30457 1
487 . 1 1 46 46 LYS H H 1 8.084 0.01 . 1 . . 107 . A 46 LYS H . 30457 1
488 . 1 1 46 46 LYS HA H 1 3.934 0.007 . 1 . . 451 . A 46 LYS HA . 30457 1
489 . 1 1 46 46 LYS HB2 H 1 1.982 0.015 . 1 . . 452 . A 46 LYS HB2 . 30457 1
490 . 1 1 46 46 LYS C C 13 179.093 0.012 . 1 . . 314 . A 46 LYS C . 30457 1
491 . 1 1 46 46 LYS CA C 13 59.955 0.168 . 1 . . 328 . A 46 LYS CA . 30457 1
492 . 1 1 46 46 LYS CB C 13 32.084 0.117 . 1 . . 313 . A 46 LYS CB . 30457 1
493 . 1 1 46 46 LYS N N 15 121.297 0.161 . 1 . . 108 . A 46 LYS N . 30457 1
494 . 1 1 47 47 GLU H H 1 7.746 0.019 . 1 . . 25 . A 47 GLU H . 30457 1
495 . 1 1 47 47 GLU HA H 1 4.091 0.009 . 1 . . 523 . A 47 GLU HA . 30457 1
496 . 1 1 47 47 GLU HB2 H 1 2.087 0.004 . 1 . . 521 . A 47 GLU HB2 . 30457 1
497 . 1 1 47 47 GLU HB3 H 1 2.089 0.001 . 1 . . 522 . A 47 GLU HB3 . 30457 1
498 . 1 1 47 47 GLU HG2 H 1 0.826 0.003 . 1 . . 591 . A 47 GLU HG2 . 30457 1
499 . 1 1 47 47 GLU HG3 H 1 2.088 0.002 . 1 . . 590 . A 47 GLU HG3 . 30457 1
500 . 1 1 47 47 GLU C C 13 180.053 0.016 . 1 . . 316 . A 47 GLU C . 30457 1
501 . 1 1 47 47 GLU CA C 13 59.885 0.118 . 1 . . 329 . A 47 GLU CA . 30457 1
502 . 1 1 47 47 GLU CB C 13 30.026 0.103 . 1 . . 315 . A 47 GLU CB . 30457 1
503 . 1 1 47 47 GLU CG C 13 36.587 0.016 . 1 . . 589 . A 47 GLU CG . 30457 1
504 . 1 1 47 47 GLU N N 15 120.170 0.1 . 1 . . 26 . A 47 GLU N . 30457 1
505 . 1 1 48 48 ILE H H 1 8.224 0.013 . 1 . . 135 . A 48 ILE H . 30457 1
506 . 1 1 48 48 ILE HA H 1 3.714 0.01 . 1 . . 349 . A 48 ILE HA . 30457 1
507 . 1 1 48 48 ILE HB H 1 1.840 0.012 . 1 . . 348 . A 48 ILE HB . 30457 1
508 . 1 1 48 48 ILE HG12 H 1 1.267 0.008 . 2 . . 647 . A 48 ILE HG12 . 30457 1
509 . 1 1 48 48 ILE HG13 H 1 1.760 0.012 . 2 . . 649 . A 48 ILE HG13 . 30457 1
510 . 1 1 48 48 ILE HG21 H 1 0.973 0.015 . 1 . . 644 . A 48 ILE HG21 . 30457 1
511 . 1 1 48 48 ILE HG22 H 1 0.973 0.015 . 1 . . 644 . A 48 ILE HG22 . 30457 1
512 . 1 1 48 48 ILE HG23 H 1 0.973 0.015 . 1 . . 644 . A 48 ILE HG23 . 30457 1
513 . 1 1 48 48 ILE HD11 H 1 0.810 0.014 . 1 . . 648 . A 48 ILE HD11 . 30457 1
514 . 1 1 48 48 ILE HD12 H 1 0.810 0.014 . 1 . . 648 . A 48 ILE HD12 . 30457 1
515 . 1 1 48 48 ILE HD13 H 1 0.810 0.014 . 1 . . 648 . A 48 ILE HD13 . 30457 1
516 . 1 1 48 48 ILE C C 13 177.342 0.017 . 1 . . 282 . A 48 ILE C . 30457 1
517 . 1 1 48 48 ILE CA C 13 64.802 0.155 . 1 . . 283 . A 48 ILE CA . 30457 1
518 . 1 1 48 48 ILE CB C 13 38.499 0.178 . 1 . . 281 . A 48 ILE CB . 30457 1
519 . 1 1 48 48 ILE CG1 C 13 29.141 0.169 . 1 . . 606 . A 48 ILE CG1 . 30457 1
520 . 1 1 48 48 ILE CG2 C 13 19.392 0.206 . 1 . . 561 . A 48 ILE CG2 . 30457 1
521 . 1 1 48 48 ILE CD1 C 13 15.413 0.161 . 1 . . 605 . A 48 ILE CD1 . 30457 1
522 . 1 1 48 48 ILE N N 15 118.189 0.049 . 1 . . 136 . A 48 ILE N . 30457 1
523 . 1 1 49 49 SER H H 1 8.031 0.007 . 1 . . 81 . A 49 SER H . 30457 1
524 . 1 1 49 49 SER HA H 1 3.862 0.006 . 1 . . 709 . A 49 SER HA . 30457 1
525 . 1 1 49 49 SER HB2 H 1 3.771 0.001 . 1 . . 526 . A 49 SER HB2 . 30457 1
526 . 1 1 49 49 SER HB3 H 1 3.761 0.017 . 1 . . 525 . A 49 SER HB3 . 30457 1
527 . 1 1 49 49 SER C C 13 175.973 . . 1 . . 533 . A 49 SER C . 30457 1
528 . 1 1 49 49 SER CA C 13 62.451 0.146 . 1 . . 317 . A 49 SER CA . 30457 1
529 . 1 1 49 49 SER CB C 13 63.982 . . 1 . . 524 . A 49 SER CB . 30457 1
530 . 1 1 49 49 SER N N 15 117.163 0.058 . 1 . . 82 . A 49 SER N . 30457 1
531 . 1 1 50 50 GLU H H 1 7.938 0.007 . 1 . . 240 . A 50 GLU H . 30457 1
532 . 1 1 50 50 GLU HA H 1 3.933 0.007 . 1 . . 414 . A 50 GLU HA . 30457 1
533 . 1 1 50 50 GLU HB2 H 1 1.979 0.017 . 1 . . 415 . A 50 GLU HB2 . 30457 1
534 . 1 1 50 50 GLU HB3 H 1 1.976 0.015 . 1 . . 416 . A 50 GLU HB3 . 30457 1
535 . 1 1 50 50 GLU HG2 H 1 1.962 0.009 . 1 . . 594 . A 50 GLU HG2 . 30457 1
536 . 1 1 50 50 GLU HG3 H 1 1.961 0.009 . 1 . . 593 . A 50 GLU HG3 . 30457 1
537 . 1 1 50 50 GLU C C 13 177.247 0.016 . 1 . . 239 . A 50 GLU C . 30457 1
538 . 1 1 50 50 GLU CA C 13 59.029 0.026 . 1 . . 238 . A 50 GLU CA . 30457 1
539 . 1 1 50 50 GLU CB C 13 29.300 0.063 . 1 . . 237 . A 50 GLU CB . 30457 1
540 . 1 1 50 50 GLU CG C 13 36.625 0.226 . 1 . . 592 . A 50 GLU CG . 30457 1
541 . 1 1 50 50 GLU N N 15 122.993 0.059 . 1 . . 241 . A 50 GLU N . 30457 1
542 . 1 1 51 51 ALA H H 1 7.787 0.007 . 1 . . 75 . A 51 ALA H . 30457 1
543 . 1 1 51 51 ALA HA H 1 3.727 0.015 . 1 . . 435 . A 51 ALA HA . 30457 1
544 . 1 1 51 51 ALA HB1 H 1 1.455 0.012 . 1 . . 436 . A 51 ALA HB1 . 30457 1
545 . 1 1 51 51 ALA HB2 H 1 1.455 0.012 . 1 . . 436 . A 51 ALA HB2 . 30457 1
546 . 1 1 51 51 ALA HB3 H 1 1.455 0.012 . 1 . . 436 . A 51 ALA HB3 . 30457 1
547 . 1 1 51 51 ALA C C 13 178.258 0.012 . 1 . . 269 . A 51 ALA C . 30457 1
548 . 1 1 51 51 ALA CA C 13 55.248 0.162 . 1 . . 268 . A 51 ALA CA . 30457 1
549 . 1 1 51 51 ALA CB C 13 18.981 0.164 . 1 . . 270 . A 51 ALA CB . 30457 1
550 . 1 1 51 51 ALA N N 15 119.713 0.066 . 1 . . 76 . A 51 ALA N . 30457 1
551 . 1 1 52 52 PHE H H 1 7.892 0.006 . 1 . . 31 . A 52 PHE H . 30457 1
552 . 1 1 52 52 PHE HA H 1 3.757 0.024 . 1 . . 411 . A 52 PHE HA . 30457 1
553 . 1 1 52 52 PHE HB2 H 1 2.478 0.007 . 2 . . 413 . A 52 PHE HB2 . 30457 1
554 . 1 1 52 52 PHE HB3 H 1 2.671 0.007 . 2 . . 412 . A 52 PHE HB3 . 30457 1
555 . 1 1 52 52 PHE HD1 H 1 6.665 0.026 . 1 . . 87 . A 52 PHE HD1 . 30457 1
556 . 1 1 52 52 PHE HD2 H 1 6.665 0.026 . 1 . . 87 . A 52 PHE HD2 . 30457 1
557 . 1 1 52 52 PHE C C 13 175.447 0.01 . 1 . . 271 . A 52 PHE C . 30457 1
558 . 1 1 52 52 PHE CA C 13 61.724 0.283 . 1 . . 272 . A 52 PHE CA . 30457 1
559 . 1 1 52 52 PHE CB C 13 39.831 0.214 . 1 . . 288 . A 52 PHE CB . 30457 1
560 . 1 1 52 52 PHE CD1 C 13 131.248 . . 1 . . 773 . A 52 PHE CD1 . 30457 1
561 . 1 1 52 52 PHE CD2 C 13 131.248 . . 1 . . 773 . A 52 PHE CD2 . 30457 1
562 . 1 1 52 52 PHE N N 15 114.435 1.776 . 1 . . 32 . A 52 PHE N . 30457 1
563 . 1 1 53 53 GLU H H 1 7.921 0.015 . 1 . . 33 . A 53 GLU H . 30457 1
564 . 1 1 53 53 GLU HA H 1 3.498 0.012 . 1 . . 420 . A 53 GLU HA . 30457 1
565 . 1 1 53 53 GLU HB2 H 1 1.984 0.016 . 1 . . 422 . A 53 GLU HB2 . 30457 1
566 . 1 1 53 53 GLU HB3 H 1 1.984 0.014 . 1 . . 421 . A 53 GLU HB3 . 30457 1
567 . 1 1 53 53 GLU HG2 H 1 2.173 0.006 . 1 . . 812 . A 53 GLU HG2 . 30457 1
568 . 1 1 53 53 GLU HG3 H 1 2.176 0.007 . 1 . . 813 . A 53 GLU HG3 . 30457 1
569 . 1 1 53 53 GLU C C 13 179.422 0.023 . 1 . . 275 . A 53 GLU C . 30457 1
570 . 1 1 53 53 GLU CA C 13 59.333 0.128 . 1 . . 273 . A 53 GLU CA . 30457 1
571 . 1 1 53 53 GLU CB C 13 29.425 0.123 . 1 . . 274 . A 53 GLU CB . 30457 1
572 . 1 1 53 53 GLU CG C 13 36.522 0.171 . 1 . . 811 . A 53 GLU CG . 30457 1
573 . 1 1 53 53 GLU N N 15 117.841 0.078 . 1 . . 34 . A 53 GLU N . 30457 1
574 . 1 1 54 54 ILE H H 1 7.771 0.011 . 1 . . 88 . A 54 ILE H . 30457 1
575 . 1 1 54 54 ILE HA H 1 3.441 0.012 . 1 . . 434 . A 54 ILE HA . 30457 1
576 . 1 1 54 54 ILE HB H 1 1.382 0.01 . 1 . . 658 . A 54 ILE HB . 30457 1
577 . 1 1 54 54 ILE HG12 H 1 0.746 0.0 . 2 . . 817 . A 54 ILE HG12 . 30457 1
578 . 1 1 54 54 ILE HG13 H 1 1.395 . . 2 . . 818 . A 54 ILE HG13 . 30457 1
579 . 1 1 54 54 ILE HG21 H 1 0.267 0.011 . 1 . . 795 . A 54 ILE HG21 . 30457 1
580 . 1 1 54 54 ILE HG22 H 1 0.267 0.011 . 1 . . 795 . A 54 ILE HG22 . 30457 1
581 . 1 1 54 54 ILE HG23 H 1 0.267 0.011 . 1 . . 795 . A 54 ILE HG23 . 30457 1
582 . 1 1 54 54 ILE HD11 H 1 0.538 0.009 . 1 . . 815 . A 54 ILE HD11 . 30457 1
583 . 1 1 54 54 ILE HD12 H 1 0.538 0.009 . 1 . . 815 . A 54 ILE HD12 . 30457 1
584 . 1 1 54 54 ILE HD13 H 1 0.538 0.009 . 1 . . 815 . A 54 ILE HD13 . 30457 1
585 . 1 1 54 54 ILE C C 13 175.742 0.012 . 1 . . 276 . A 54 ILE C . 30457 1
586 . 1 1 54 54 ILE CA C 13 64.920 0.16 . 1 . . 278 . A 54 ILE CA . 30457 1
587 . 1 1 54 54 ILE CB C 13 37.893 0.203 . 1 . . 277 . A 54 ILE CB . 30457 1
588 . 1 1 54 54 ILE CG1 C 13 29.846 0.164 . 1 . . 609 . A 54 ILE CG1 . 30457 1
589 . 1 1 54 54 ILE CG2 C 13 17.079 0.191 . 1 . . 607 . A 54 ILE CG2 . 30457 1
590 . 1 1 54 54 ILE CD1 C 13 13.611 0.17 . 1 . . 608 . A 54 ILE CD1 . 30457 1
591 . 1 1 54 54 ILE N N 15 117.025 0.057 . 1 . . 89 . A 54 ILE N . 30457 1
592 . 1 1 55 55 LEU H H 1 7.596 0.005 . 1 . . 27 . A 55 LEU H . 30457 1
593 . 1 1 55 55 LEU HA H 1 3.594 0.011 . 1 . . 355 . A 55 LEU HA . 30457 1
594 . 1 1 55 55 LEU HB2 H 1 0.987 0.009 . 2 . . 356 . A 55 LEU HB2 . 30457 1
595 . 1 1 55 55 LEU HB3 H 1 1.447 0.005 . 2 . . 527 . A 55 LEU HB3 . 30457 1
596 . 1 1 55 55 LEU HG H 1 0.027 0.001 . 1 . . 822 . A 55 LEU HG . 30457 1
597 . 1 1 55 55 LEU HD11 H 1 0.174 0.01 . 1 . . 820 . A 55 LEU HD11 . 30457 1
598 . 1 1 55 55 LEU HD12 H 1 0.174 0.01 . 1 . . 820 . A 55 LEU HD12 . 30457 1
599 . 1 1 55 55 LEU HD13 H 1 0.174 0.01 . 1 . . 820 . A 55 LEU HD13 . 30457 1
600 . 1 1 55 55 LEU HD21 H 1 0.179 0.004 . 1 . . 819 . A 55 LEU HD21 . 30457 1
601 . 1 1 55 55 LEU HD22 H 1 0.179 0.004 . 1 . . 819 . A 55 LEU HD22 . 30457 1
602 . 1 1 55 55 LEU HD23 H 1 0.179 0.004 . 1 . . 819 . A 55 LEU HD23 . 30457 1
603 . 1 1 55 55 LEU C C 13 177.196 0.007 . 1 . . 184 . A 55 LEU C . 30457 1
604 . 1 1 55 55 LEU CA C 13 56.742 0.164 . 1 . . 182 . A 55 LEU CA . 30457 1
605 . 1 1 55 55 LEU CB C 13 42.411 0.139 . 1 . . 183 . A 55 LEU CB . 30457 1
606 . 1 1 55 55 LEU CG C 13 25.160 0.007 . 1 . . 651 . A 55 LEU CG . 30457 1
607 . 1 1 55 55 LEU CD1 C 13 23.941 1.242 . 1 . . 588 . A 55 LEU CD1 . 30457 1
608 . 1 1 55 55 LEU CD2 C 13 22.819 0.189 . 1 . . 650 . A 55 LEU CD2 . 30457 1
609 . 1 1 55 55 LEU N N 15 112.446 0.052 . 1 . . 28 . A 55 LEU N . 30457 1
610 . 1 1 56 56 ASN H H 1 8.117 0.008 . 1 . . 13 . A 56 ASN H . 30457 1
611 . 1 1 56 56 ASN HA H 1 4.198 0.004 . 1 . . 405 . A 56 ASN HA . 30457 1
612 . 1 1 56 56 ASN HB2 H 1 1.840 0.006 . 2 . . 406 . A 56 ASN HB2 . 30457 1
613 . 1 1 56 56 ASN HB3 H 1 1.251 0.005 . 2 . . 407 . A 56 ASN HB3 . 30457 1
614 . 1 1 56 56 ASN HD21 H 1 6.997 0.004 . 1 . . 35 . A 56 ASN HD21 . 30457 1
615 . 1 1 56 56 ASN HD22 H 1 6.357 0.004 . 1 . . 90 . A 56 ASN HD22 . 30457 1
616 . 1 1 56 56 ASN C C 13 173.982 0.013 . 1 . . 280 . A 56 ASN C . 30457 1
617 . 1 1 56 56 ASN CA C 13 53.253 0.147 . 1 . . 279 . A 56 ASN CA . 30457 1
618 . 1 1 56 56 ASN CB C 13 39.478 0.192 . 1 . . 287 . A 56 ASN CB . 30457 1
619 . 1 1 56 56 ASN N N 15 113.133 0.043 . 1 . . 14 . A 56 ASN N . 30457 1
620 . 1 1 56 56 ASN ND2 N 15 113.005 0.097 . 1 . . 36 . A 56 ASN ND2 . 30457 1
621 . 1 1 57 57 ASP H H 1 6.920 0.009 . 1 . . 113 . A 57 ASP H . 30457 1
622 . 1 1 57 57 ASP C C 13 173.755 . . 1 . . 286 . A 57 ASP C . 30457 1
623 . 1 1 57 57 ASP CA C 13 50.146 . . 1 . . 285 . A 57 ASP CA . 30457 1
624 . 1 1 57 57 ASP CB C 13 42.594 . . 1 . . 284 . A 57 ASP CB . 30457 1
625 . 1 1 57 57 ASP N N 15 120.550 0.089 . 1 . . 114 . A 57 ASP N . 30457 1
626 . 1 1 58 58 PRO HA H 1 4.139 0.013 . 1 . . 423 . A 58 PRO HA . 30457 1
627 . 1 1 58 58 PRO HB2 H 1 2.377 0.01 . 2 . . 424 . A 58 PRO HB2 . 30457 1
628 . 1 1 58 58 PRO HB3 H 1 1.958 0.015 . 2 . . 425 . A 58 PRO HB3 . 30457 1
629 . 1 1 58 58 PRO HG2 H 1 2.121 0.014 . 1 . . 545 . A 58 PRO HG2 . 30457 1
630 . 1 1 58 58 PRO HG3 H 1 2.124 0.014 . 1 . . 546 . A 58 PRO HG3 . 30457 1
631 . 1 1 58 58 PRO HD2 H 1 3.787 0.01 . 2 . . 549 . A 58 PRO HD2 . 30457 1
632 . 1 1 58 58 PRO HD3 H 1 4.019 0.013 . 2 . . 690 . A 58 PRO HD3 . 30457 1
633 . 1 1 58 58 PRO C C 13 179.563 . . 1 . . 759 . A 58 PRO C . 30457 1
634 . 1 1 58 58 PRO CA C 13 65.538 0.153 . 1 . . 543 . A 58 PRO CA . 30457 1
635 . 1 1 58 58 PRO CB C 13 32.378 0.12 . 1 . . 441 . A 58 PRO CB . 30457 1
636 . 1 1 58 58 PRO CG C 13 27.910 0.094 . 1 . . 544 . A 58 PRO CG . 30457 1
637 . 1 1 58 58 PRO CD C 13 50.552 0.129 . 1 . . 547 . A 58 PRO CD . 30457 1
638 . 1 1 59 59 GLN H H 1 7.838 0.006 . 1 . . 23 . A 59 GLN H . 30457 1
639 . 1 1 59 59 GLN HA H 1 4.225 0.011 . 1 . . 417 . A 59 GLN HA . 30457 1
640 . 1 1 59 59 GLN HB2 H 1 2.128 0.014 . 2 . . 566 . A 59 GLN HB2 . 30457 1
641 . 1 1 59 59 GLN HB3 H 1 2.161 0.01 . 2 . . 567 . A 59 GLN HB3 . 30457 1
642 . 1 1 59 59 GLN HG2 H 1 2.368 0.027 . 2 . . 568 . A 59 GLN HG2 . 30457 1
643 . 1 1 59 59 GLN HG3 H 1 2.443 0.007 . 2 . . 823 . A 59 GLN HG3 . 30457 1
644 . 1 1 59 59 GLN C C 13 179.020 0.019 . 1 . . 320 . A 59 GLN C . 30457 1
645 . 1 1 59 59 GLN CA C 13 59.019 0.116 . 1 . . 318 . A 59 GLN CA . 30457 1
646 . 1 1 59 59 GLN CB C 13 28.983 0.125 . 1 . . 319 . A 59 GLN CB . 30457 1
647 . 1 1 59 59 GLN CG C 13 34.848 0.125 . 1 . . 562 . A 59 GLN CG . 30457 1
648 . 1 1 59 59 GLN N N 15 115.792 0.05 . 1 . . 24 . A 59 GLN N . 30457 1
649 . 1 1 60 60 LYS H H 1 7.931 0.008 . 1 . . 71 . A 60 LYS H . 30457 1
650 . 1 1 60 60 LYS HA H 1 4.018 0.006 . 1 . . 363 . A 60 LYS HA . 30457 1
651 . 1 1 60 60 LYS HB2 H 1 2.387 0.007 . 2 . . 364 . A 60 LYS HB2 . 30457 1
652 . 1 1 60 60 LYS HB3 H 1 1.720 0.008 . 2 . . 365 . A 60 LYS HB3 . 30457 1
653 . 1 1 60 60 LYS HG2 H 1 1.398 0.006 . 1 . . 810 . A 60 LYS HG2 . 30457 1
654 . 1 1 60 60 LYS HG3 H 1 1.397 0.009 . 1 . . 809 . A 60 LYS HG3 . 30457 1
655 . 1 1 60 60 LYS HD2 H 1 1.565 . . 1 . . 808 . A 60 LYS HD2 . 30457 1
656 . 1 1 60 60 LYS HD3 H 1 1.565 . . 1 . . 807 . A 60 LYS HD3 . 30457 1
657 . 1 1 60 60 LYS C C 13 178.592 0.015 . 1 . . 297 . A 60 LYS C . 30457 1
658 . 1 1 60 60 LYS CA C 13 59.901 0.115 . 1 . . 295 . A 60 LYS CA . 30457 1
659 . 1 1 60 60 LYS CB C 13 33.085 0.138 . 1 . . 296 . A 60 LYS CB . 30457 1
660 . 1 1 60 60 LYS CG C 13 25.967 0.026 . 1 . . 805 . A 60 LYS CG . 30457 1
661 . 1 1 60 60 LYS CD C 13 29.841 . . 1 . . 806 . A 60 LYS CD . 30457 1
662 . 1 1 60 60 LYS CE C 13 42.377 . . 1 . . 625 . A 60 LYS CE . 30457 1
663 . 1 1 60 60 LYS N N 15 120.998 0.08 . 1 . . 72 . A 60 LYS N . 30457 1
664 . 1 1 61 61 ARG H H 1 9.243 0.01 . 1 . . 133 . A 61 ARG H . 30457 1
665 . 1 1 61 61 ARG HA H 1 3.642 0.012 . 1 . . 485 . A 61 ARG HA . 30457 1
666 . 1 1 61 61 ARG HB2 H 1 1.091 . . 2 . . 483 . A 61 ARG HB2 . 30457 1
667 . 1 1 61 61 ARG HB3 H 1 2.192 0.014 . 2 . . 484 . A 61 ARG HB3 . 30457 1
668 . 1 1 61 61 ARG HG2 H 1 1.744 0.017 . 1 . . 685 . A 61 ARG HG2 . 30457 1
669 . 1 1 61 61 ARG HG3 H 1 1.754 0.016 . 1 . . 684 . A 61 ARG HG3 . 30457 1
670 . 1 1 61 61 ARG C C 13 177.545 . . 1 . . 531 . A 61 ARG C . 30457 1
671 . 1 1 61 61 ARG CA C 13 60.441 0.144 . 1 . . 321 . A 61 ARG CA . 30457 1
672 . 1 1 61 61 ARG CB C 13 29.902 0.075 . 1 . . 322 . A 61 ARG CB . 30457 1
673 . 1 1 61 61 ARG CG C 13 26.606 0.174 . 1 . . 603 . A 61 ARG CG . 30457 1
674 . 1 1 61 61 ARG CD C 13 44.082 . . 1 . . 604 . A 61 ARG CD . 30457 1
675 . 1 1 61 61 ARG N N 15 121.995 0.073 . 1 . . 134 . A 61 ARG N . 30457 1
676 . 1 1 62 62 GLU H H 1 7.381 0.008 . 1 . . 101 . A 62 GLU H . 30457 1
677 . 1 1 62 62 GLU HA H 1 4.162 0.01 . 1 . . 402 . A 62 GLU HA . 30457 1
678 . 1 1 62 62 GLU HB2 H 1 2.130 0.021 . 1 . . 404 . A 62 GLU HB2 . 30457 1
679 . 1 1 62 62 GLU HB3 H 1 2.131 0.019 . 1 . . 403 . A 62 GLU HB3 . 30457 1
680 . 1 1 62 62 GLU HG2 H 1 2.142 0.012 . 1 . . 597 . A 62 GLU HG2 . 30457 1
681 . 1 1 62 62 GLU HG3 H 1 2.146 0.011 . 1 . . 598 . A 62 GLU HG3 . 30457 1
682 . 1 1 62 62 GLU C C 13 179.609 0.017 . 1 . . 301 . A 62 GLU C . 30457 1
683 . 1 1 62 62 GLU CA C 13 59.701 0.147 . 1 . . 302 . A 62 GLU CA . 30457 1
684 . 1 1 62 62 GLU CB C 13 29.769 0.128 . 1 . . 303 . A 62 GLU CB . 30457 1
685 . 1 1 62 62 GLU CG C 13 36.275 0.002 . 1 . . 595 . A 62 GLU CG . 30457 1
686 . 1 1 62 62 GLU N N 15 116.984 0.031 . 1 . . 102 . A 62 GLU N . 30457 1
687 . 1 1 63 63 ILE H H 1 7.379 0.013 . 1 . . 93 . A 63 ILE H . 30457 1
688 . 1 1 63 63 ILE HA H 1 3.903 0.012 . 1 . . 448 . A 63 ILE HA . 30457 1
689 . 1 1 63 63 ILE HB H 1 1.994 0.016 . 1 . . 447 . A 63 ILE HB . 30457 1
690 . 1 1 63 63 ILE HG12 H 1 1.455 . . 1 . . 828 . A 63 ILE HG12 . 30457 1
691 . 1 1 63 63 ILE HG13 H 1 1.455 . . 1 . . 827 . A 63 ILE HG13 . 30457 1
692 . 1 1 63 63 ILE HG21 H 1 0.834 0.01 . 1 . . 826 . A 63 ILE HG21 . 30457 1
693 . 1 1 63 63 ILE HG22 H 1 0.834 0.01 . 1 . . 826 . A 63 ILE HG22 . 30457 1
694 . 1 1 63 63 ILE HG23 H 1 0.834 0.01 . 1 . . 826 . A 63 ILE HG23 . 30457 1
695 . 1 1 63 63 ILE HD11 H 1 0.818 0.004 . 1 . . 825 . A 63 ILE HD11 . 30457 1
696 . 1 1 63 63 ILE HD12 H 1 0.818 0.004 . 1 . . 825 . A 63 ILE HD12 . 30457 1
697 . 1 1 63 63 ILE HD13 H 1 0.818 0.004 . 1 . . 825 . A 63 ILE HD13 . 30457 1
698 . 1 1 63 63 ILE C C 13 178.114 0.029 . 1 . . 185 . A 63 ILE C . 30457 1
699 . 1 1 63 63 ILE CA C 13 64.634 0.117 . 1 . . 323 . A 63 ILE CA . 30457 1
700 . 1 1 63 63 ILE CB C 13 38.076 0.153 . 1 . . 330 . A 63 ILE CB . 30457 1
701 . 1 1 63 63 ILE CG1 C 13 28.336 0.121 . 1 . . 610 . A 63 ILE CG1 . 30457 1
702 . 1 1 63 63 ILE CG2 C 13 17.811 0.222 . 1 . . 611 . A 63 ILE CG2 . 30457 1
703 . 1 1 63 63 ILE CD1 C 13 12.741 0.135 . 1 . . 612 . A 63 ILE CD1 . 30457 1
704 . 1 1 63 63 ILE N N 15 118.763 0.052 . 1 . . 94 . A 63 ILE N . 30457 1
705 . 1 1 64 64 TYR H H 1 9.102 0.007 . 1 . . 19 . A 64 TYR H . 30457 1
706 . 1 1 64 64 TYR HA H 1 4.100 0.016 . 1 . . 500 . A 64 TYR HA . 30457 1
707 . 1 1 64 64 TYR HB2 H 1 3.098 0.01 . 2 . . 501 . A 64 TYR HB2 . 30457 1
708 . 1 1 64 64 TYR HB3 H 1 2.743 0.009 . 2 . . 502 . A 64 TYR HB3 . 30457 1
709 . 1 1 64 64 TYR HD1 H 1 6.941 0.016 . 1 . . 718 . A 64 TYR HD1 . 30457 1
710 . 1 1 64 64 TYR HD2 H 1 6.941 0.016 . 1 . . 718 . A 64 TYR HD2 . 30457 1
711 . 1 1 64 64 TYR HE1 H 1 6.817 0.006 . 1 . . 719 . A 64 TYR HE1 . 30457 1
712 . 1 1 64 64 TYR HE2 H 1 6.817 0.006 . 1 . . 719 . A 64 TYR HE2 . 30457 1
713 . 1 1 64 64 TYR C C 13 179.340 0.045 . 1 . . 325 . A 64 TYR C . 30457 1
714 . 1 1 64 64 TYR CA C 13 61.662 0.217 . 1 . . 324 . A 64 TYR CA . 30457 1
715 . 1 1 64 64 TYR CB C 13 38.338 0.185 . 1 . . 331 . A 64 TYR CB . 30457 1
716 . 1 1 64 64 TYR N N 15 121.657 0.048 . 1 . . 20 . A 64 TYR N . 30457 1
717 . 1 1 65 65 ASP H H 1 9.253 0.008 . 1 . . 186 . A 65 ASP H . 30457 1
718 . 1 1 65 65 ASP HA H 1 4.596 0.014 . 1 . . 466 . A 65 ASP HA . 30457 1
719 . 1 1 65 65 ASP HB2 H 1 2.630 0.026 . 2 . . 464 . A 65 ASP HB2 . 30457 1
720 . 1 1 65 65 ASP HB3 H 1 2.741 0.034 . 2 . . 465 . A 65 ASP HB3 . 30457 1
721 . 1 1 65 65 ASP C C 13 177.554 0.002 . 1 . . 327 . A 65 ASP C . 30457 1
722 . 1 1 65 65 ASP CA C 13 56.931 0.127 . 1 . . 326 . A 65 ASP CA . 30457 1
723 . 1 1 65 65 ASP CB C 13 40.598 0.227 . 1 . . 243 . A 65 ASP CB . 30457 1
724 . 1 1 65 65 ASP N N 15 122.088 0.078 . 1 . . 187 . A 65 ASP N . 30457 1
725 . 1 1 66 66 GLN H H 1 7.353 0.012 . 1 . . 51 . A 66 GLN H . 30457 1
726 . 1 1 66 66 GLN HA H 1 4.046 0.02 . 1 . . 360 . A 66 GLN HA . 30457 1
727 . 1 1 66 66 GLN HB2 H 1 1.650 0.005 . 2 . . 361 . A 66 GLN HB2 . 30457 1
728 . 1 1 66 66 GLN HB3 H 1 1.204 0.007 . 2 . . 362 . A 66 GLN HB3 . 30457 1
729 . 1 1 66 66 GLN HG2 H 1 2.082 0.007 . 2 . . 572 . A 66 GLN HG2 . 30457 1
730 . 1 1 66 66 GLN HG3 H 1 2.079 0.008 . 1 . . 571 . A 66 GLN HG3 . 30457 1
731 . 1 1 66 66 GLN C C 13 177.326 . . 1 . . 159 . A 66 GLN C . 30457 1
732 . 1 1 66 66 GLN CA C 13 57.713 0.201 . 1 . . 158 . A 66 GLN CA . 30457 1
733 . 1 1 66 66 GLN CB C 13 30.592 0.181 . 1 . . 332 . A 66 GLN CB . 30457 1
734 . 1 1 66 66 GLN CG C 13 33.892 0.143 . 1 . . 560 . A 66 GLN CG . 30457 1
735 . 1 1 66 66 GLN N N 15 114.743 0.062 . 1 . . 52 . A 66 GLN N . 30457 1
736 . 1 1 67 67 TYR H H 1 8.825 0.006 . 1 . . 73 . A 67 TYR H . 30457 1
737 . 1 1 67 67 TYR HA H 1 4.755 0.004 . 1 . . 357 . A 67 TYR HA . 30457 1
738 . 1 1 67 67 TYR HB2 H 1 3.119 0.005 . 2 . . 358 . A 67 TYR HB2 . 30457 1
739 . 1 1 67 67 TYR HB3 H 1 2.647 0.013 . 2 . . 359 . A 67 TYR HB3 . 30457 1
740 . 1 1 67 67 TYR HD1 H 1 7.225 0.01 . 1 . . 717 . A 67 TYR HD1 . 30457 1
741 . 1 1 67 67 TYR HD2 H 1 7.225 0.01 . 1 . . 717 . A 67 TYR HD2 . 30457 1
742 . 1 1 67 67 TYR HE1 H 1 6.807 . . 1 . . 716 . A 67 TYR HE1 . 30457 1
743 . 1 1 67 67 TYR HE2 H 1 6.807 . . 1 . . 716 . A 67 TYR HE2 . 30457 1
744 . 1 1 67 67 TYR C C 13 177.322 . . 1 . . 532 . A 67 TYR C . 30457 1
745 . 1 1 67 67 TYR CA C 13 58.182 0.161 . 1 . . 157 . A 67 TYR CA . 30457 1
746 . 1 1 67 67 TYR CB C 13 41.465 0.207 . 1 . . 333 . A 67 TYR CB . 30457 1
747 . 1 1 67 67 TYR N N 15 113.706 0.043 . 1 . . 74 . A 67 TYR N . 30457 1
748 . 1 1 68 68 GLY H H 1 8.728 0.008 . 1 . . 43 . A 68 GLY H . 30457 1
749 . 1 1 68 68 GLY HA2 H 1 4.466 0.009 . 2 . . 449 . A 68 GLY HA2 . 30457 1
750 . 1 1 68 68 GLY HA3 H 1 3.356 0.005 . 2 . . 450 . A 68 GLY HA3 . 30457 1
751 . 1 1 68 68 GLY C C 13 174.086 . . 1 . . 155 . A 68 GLY C . 30457 1
752 . 1 1 68 68 GLY CA C 13 44.559 0.198 . 1 . . 156 . A 68 GLY CA . 30457 1
753 . 1 1 68 68 GLY N N 15 112.257 0.043 . 1 . . 44 . A 68 GLY N . 30457 1
754 . 1 1 69 69 LEU H H 1 8.655 0.011 . 1 . . 21 . A 69 LEU H . 30457 1
755 . 1 1 69 69 LEU HA H 1 4.098 0.01 . 1 . . 455 . A 69 LEU HA . 30457 1
756 . 1 1 69 69 LEU HB2 H 1 1.876 0.009 . 2 . . 453 . A 69 LEU HB2 . 30457 1
757 . 1 1 69 69 LEU HB3 H 1 2.076 0.002 . 2 . . 454 . A 69 LEU HB3 . 30457 1
758 . 1 1 69 69 LEU HG H 1 0.900 0.004 . 1 . . 832 . A 69 LEU HG . 30457 1
759 . 1 1 69 69 LEU HD11 H 1 0.964 . . 1 . . 829 . A 69 LEU HD11 . 30457 1
760 . 1 1 69 69 LEU HD12 H 1 0.964 . . 1 . . 829 . A 69 LEU HD12 . 30457 1
761 . 1 1 69 69 LEU HD13 H 1 0.964 . . 1 . . 829 . A 69 LEU HD13 . 30457 1
762 . 1 1 69 69 LEU HD21 H 1 0.963 0.001 . 1 . . 831 . A 69 LEU HD21 . 30457 1
763 . 1 1 69 69 LEU HD22 H 1 0.963 0.001 . 1 . . 831 . A 69 LEU HD22 . 30457 1
764 . 1 1 69 69 LEU HD23 H 1 0.963 0.001 . 1 . . 831 . A 69 LEU HD23 . 30457 1
765 . 1 1 69 69 LEU C C 13 174.093 . . 1 . . 261 . A 69 LEU C . 30457 1
766 . 1 1 69 69 LEU CA C 13 59.378 0.028 . 1 . . 154 . A 69 LEU CA . 30457 1
767 . 1 1 69 69 LEU CB C 13 43.460 0.162 . 1 . . 262 . A 69 LEU CB . 30457 1
768 . 1 1 69 69 LEU CG C 13 26.820 0.061 . 1 . . 833 . A 69 LEU CG . 30457 1
769 . 1 1 69 69 LEU CD1 C 13 23.366 0.161 . 1 . . 830 . A 69 LEU CD1 . 30457 1
770 . 1 1 69 69 LEU CD2 C 13 23.356 0.197 . 1 . . 834 . A 69 LEU CD2 . 30457 1
771 . 1 1 69 69 LEU N N 15 119.641 0.054 . 1 . . 22 . A 69 LEU N . 30457 1
772 . 1 1 70 70 GLU H H 1 8.592 0.01 . 1 . . 29 . A 70 GLU H . 30457 1
773 . 1 1 70 70 GLU HA H 1 3.954 0.014 . 1 . . 489 . A 70 GLU HA . 30457 1
774 . 1 1 70 70 GLU HB2 H 1 1.973 0.005 . 1 . . 528 . A 70 GLU HB2 . 30457 1
775 . 1 1 70 70 GLU HB3 H 1 1.970 0.009 . 1 . . 488 . A 70 GLU HB3 . 30457 1
776 . 1 1 70 70 GLU HG2 H 1 1.978 0.003 . 1 . . 559 . A 70 GLU HG2 . 30457 1
777 . 1 1 70 70 GLU HG3 H 1 1.978 0.003 . 1 . . 558 . A 70 GLU HG3 . 30457 1
778 . 1 1 70 70 GLU C C 13 179.828 . . 1 . . 152 . A 70 GLU C . 30457 1
779 . 1 1 70 70 GLU CA C 13 60.077 0.144 . 1 . . 151 . A 70 GLU CA . 30457 1
780 . 1 1 70 70 GLU CB C 13 28.369 0.169 . 1 . . 153 . A 70 GLU CB . 30457 1
781 . 1 1 70 70 GLU CG C 13 36.384 0.02 . 1 . . 599 . A 70 GLU CG . 30457 1
782 . 1 1 70 70 GLU N N 15 117.874 0.045 . 1 . . 30 . A 70 GLU N . 30457 1
783 . 1 1 71 71 ALA H H 1 8.279 0.01 . 1 . . 115 . A 71 ALA H . 30457 1
784 . 1 1 71 71 ALA HA H 1 3.981 0.014 . 1 . . 487 . A 71 ALA HA . 30457 1
785 . 1 1 71 71 ALA HB1 H 1 1.103 0.011 . 1 . . 486 . A 71 ALA HB1 . 30457 1
786 . 1 1 71 71 ALA HB2 H 1 1.103 0.011 . 1 . . 486 . A 71 ALA HB2 . 30457 1
787 . 1 1 71 71 ALA HB3 H 1 1.103 0.011 . 1 . . 486 . A 71 ALA HB3 . 30457 1
788 . 1 1 71 71 ALA C C 13 179.586 . . 1 . . 168 . A 71 ALA C . 30457 1
789 . 1 1 71 71 ALA CA C 13 54.510 0.274 . 1 . . 169 . A 71 ALA CA . 30457 1
790 . 1 1 71 71 ALA CB C 13 19.481 0.191 . 1 . . 167 . A 71 ALA CB . 30457 1
791 . 1 1 71 71 ALA N N 15 121.542 0.18 . 1 . . 116 . A 71 ALA N . 30457 1
792 . 1 1 72 72 ALA H H 1 7.943 0.007 . 1 . . 103 . A 72 ALA H . 30457 1
793 . 1 1 72 72 ALA HA H 1 3.954 0.016 . 1 . . 495 . A 72 ALA HA . 30457 1
794 . 1 1 72 72 ALA HB1 H 1 1.512 0.012 . 1 . . 496 . A 72 ALA HB1 . 30457 1
795 . 1 1 72 72 ALA HB2 H 1 1.512 0.012 . 1 . . 496 . A 72 ALA HB2 . 30457 1
796 . 1 1 72 72 ALA HB3 H 1 1.512 0.012 . 1 . . 496 . A 72 ALA HB3 . 30457 1
797 . 1 1 72 72 ALA C C 13 179.182 . . 1 . . 166 . A 72 ALA C . 30457 1
798 . 1 1 72 72 ALA CA C 13 55.304 0.166 . 1 . . 164 . A 72 ALA CA . 30457 1
799 . 1 1 72 72 ALA CB C 13 18.701 0.136 . 1 . . 165 . A 72 ALA CB . 30457 1
800 . 1 1 72 72 ALA N N 15 120.409 0.065 . 1 . . 104 . A 72 ALA N . 30457 1
801 . 1 1 73 73 ARG H H 1 8.210 0.008 . 1 . . 131 . A 73 ARG H . 30457 1
802 . 1 1 73 73 ARG HA H 1 3.994 0.015 . 1 . . 446 . A 73 ARG HA . 30457 1
803 . 1 1 73 73 ARG HB2 H 1 1.837 0.015 . 2 . . 445 . A 73 ARG HB2 . 30457 1
804 . 1 1 73 73 ARG HB3 H 1 1.839 0.014 . 1 . . 529 . A 73 ARG HB3 . 30457 1
805 . 1 1 73 73 ARG HG2 H 1 1.551 0.012 . 1 . . 803 . A 73 ARG HG2 . 30457 1
806 . 1 1 73 73 ARG HG3 H 1 1.550 0.01 . 1 . . 800 . A 73 ARG HG3 . 30457 1
807 . 1 1 73 73 ARG HD2 H 1 2.975 0.007 . 1 . . 516 . A 73 ARG HD2 . 30457 1
808 . 1 1 73 73 ARG HD3 H 1 2.974 0.008 . 1 . . 798 . A 73 ARG HD3 . 30457 1
809 . 1 1 73 73 ARG HE H 1 10.041 0.004 . 1 . . 835 . A 73 ARG HE . 30457 1
810 . 1 1 73 73 ARG C C 13 178.015 0.014 . 1 . . 176 . A 73 ARG C . 30457 1
811 . 1 1 73 73 ARG CA C 13 58.771 0.219 . 1 . . 175 . A 73 ARG CA . 30457 1
812 . 1 1 73 73 ARG CB C 13 31.579 0.168 . 1 . . 174 . A 73 ARG CB . 30457 1
813 . 1 1 73 73 ARG CG C 13 27.296 0.054 . 1 . . 802 . A 73 ARG CG . 30457 1
814 . 1 1 73 73 ARG CD C 13 44.164 0.302 . 1 . . 683 . A 73 ARG CD . 30457 1
815 . 1 1 73 73 ARG N N 15 116.206 0.054 . 1 . . 132 . A 73 ARG N . 30457 1
816 . 1 1 73 73 ARG NE N 15 120.177 . . 1 . . 836 . A 73 ARG NE . 30457 1
817 . 1 1 74 74 SER H H 1 7.724 0.007 . 1 . . 3 . A 74 SER H . 30457 1
818 . 1 1 74 74 SER HA H 1 4.403 0.006 . 1 . . 497 . A 74 SER HA . 30457 1
819 . 1 1 74 74 SER HB2 H 1 3.922 0.023 . 1 . . 507 . A 74 SER HB2 . 30457 1
820 . 1 1 74 74 SER HB3 H 1 3.928 0.027 . 1 . . 508 . A 74 SER HB3 . 30457 1
821 . 1 1 74 74 SER C C 13 174.912 . . 1 . . 195 . A 74 SER C . 30457 1
822 . 1 1 74 74 SER CA C 13 59.311 0.148 . 1 . . 162 . A 74 SER CA . 30457 1
823 . 1 1 74 74 SER CB C 13 64.204 0.148 . 1 . . 163 . A 74 SER CB . 30457 1
824 . 1 1 74 74 SER N N 15 112.794 0.05 . 1 . . 4 . A 74 SER N . 30457 1
825 . 1 1 75 75 GLY H H 1 7.974 0.005 . 1 . . 137 . A 75 GLY H . 30457 1
826 . 1 1 75 75 GLY HA2 H 1 3.739 0.011 . 2 . . 459 . A 75 GLY HA2 . 30457 1
827 . 1 1 75 75 GLY HA3 H 1 4.136 0.012 . 2 . . 460 . A 75 GLY HA3 . 30457 1
828 . 1 1 75 75 GLY C C 13 173.920 . . 1 . . 160 . A 75 GLY C . 30457 1
829 . 1 1 75 75 GLY CA C 13 45.533 0.136 . 1 . . 161 . A 75 GLY CA . 30457 1
830 . 1 1 75 75 GLY N N 15 109.677 0.044 . 1 . . 138 . A 75 GLY N . 30457 1
831 . 1 1 76 76 GLY H H 1 8.121 0.005 . 1 . . 39 . A 76 GLY H . 30457 1
832 . 1 1 76 76 GLY C C 13 173.922 . . 1 . . 263 . A 76 GLY C . 30457 1
833 . 1 1 76 76 GLY CA C 13 44.545 . . 1 . . 264 . A 76 GLY CA . 30457 1
834 . 1 1 76 76 GLY N N 15 108.581 0.083 . 1 . . 40 . A 76 GLY N . 30457 1
835 . 1 1 77 77 PRO HA H 1 4.153 0.006 . 1 . . 504 . A 77 PRO HA . 30457 1
836 . 1 1 77 77 PRO HB2 H 1 1.619 0.011 . 2 . . 550 . A 77 PRO HB2 . 30457 1
837 . 1 1 77 77 PRO HB3 H 1 1.525 0.001 . 2 . . 551 . A 77 PRO HB3 . 30457 1
838 . 1 1 77 77 PRO CA C 13 62.963 0.186 . 1 . . 443 . A 77 PRO CA . 30457 1
839 . 1 1 77 77 PRO CB C 13 31.996 0.215 . 1 . . 442 . A 77 PRO CB . 30457 1
840 . 1 1 78 78 SER H H 1 8.060 0.008 . 1 . . 763 . A 78 SER H . 30457 1
841 . 1 1 78 78 SER HA H 1 4.306 0.008 . 1 . . 539 . A 78 SER HA . 30457 1
842 . 1 1 78 78 SER HB2 H 1 3.687 0.015 . 1 . . 538 . A 78 SER HB2 . 30457 1
843 . 1 1 78 78 SER HB3 H 1 3.681 0.004 . 1 . . 536 . A 78 SER HB3 . 30457 1
844 . 1 1 78 78 SER C C 13 173.983 . . 1 . . 760 . A 78 SER C . 30457 1
845 . 1 1 78 78 SER CA C 13 57.972 0.156 . 1 . . 540 . A 78 SER CA . 30457 1
846 . 1 1 78 78 SER CB C 13 63.537 0.152 . 1 . . 537 . A 78 SER CB . 30457 1
847 . 1 1 78 78 SER N N 15 115.238 0.051 . 1 . . 764 . A 78 SER N . 30457 1
848 . 1 1 79 79 PHE H H 1 8.069 0.006 . 1 . . 188 . A 79 PHE H . 30457 1
849 . 1 1 79 79 PHE HA H 1 4.642 0.012 . 1 . . 431 . A 79 PHE HA . 30457 1
850 . 1 1 79 79 PHE HB2 H 1 2.921 0.003 . 2 . . 433 . A 79 PHE HB2 . 30457 1
851 . 1 1 79 79 PHE HB3 H 1 3.145 0.005 . 2 . . 432 . A 79 PHE HB3 . 30457 1
852 . 1 1 79 79 PHE HD1 H 1 7.183 0.002 . 1 . . 775 . A 79 PHE HD1 . 30457 1
853 . 1 1 79 79 PHE HD2 H 1 7.183 0.002 . 1 . . 775 . A 79 PHE HD2 . 30457 1
854 . 1 1 79 79 PHE C C 13 175.623 0.007 . 1 . . 248 . A 79 PHE C . 30457 1
855 . 1 1 79 79 PHE CA C 13 57.455 0.086 . 1 . . 246 . A 79 PHE CA . 30457 1
856 . 1 1 79 79 PHE CB C 13 39.887 0.131 . 1 . . 247 . A 79 PHE CB . 30457 1
857 . 1 1 79 79 PHE CD1 C 13 131.516 . . 1 . . 776 . A 79 PHE CD1 . 30457 1
858 . 1 1 79 79 PHE CD2 C 13 131.516 . . 1 . . 776 . A 79 PHE CD2 . 30457 1
859 . 1 1 79 79 PHE N N 15 121.651 0.194 . 1 . . 189 . A 79 PHE N . 30457 1
860 . 1 1 80 80 GLY H H 1 8.061 0.006 . 1 . . 55 . A 80 GLY H . 30457 1
861 . 1 1 80 80 GLY C C 13 182.695 . . 1 . . 761 . A 80 GLY C . 30457 1
862 . 1 1 80 80 GLY CA C 13 44.434 . . 1 . . 245 . A 80 GLY CA . 30457 1
863 . 1 1 80 80 GLY N N 15 110.669 0.051 . 1 . . 56 . A 80 GLY N . 30457 1
stop_
save_