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 50734
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'oxidized SelW1 chemical shifts'
_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 '3D HNCACB' . . . 50734 1
2 '3D HNCO' . . . 50734 1
3 '3D HNCA' . . . 50734 1
4 '3D HBHA(CO)NH' . . . 50734 1
5 '3D HN(CO)CA' . . . 50734 1
6 '3D HN(CA)CO' . . . 50734 1
7 '3D HCCH-TOCSY' . . . 50734 1
8 '3D HCCH-COSY' . . . 50734 1
9 '3D 1H-15N TOCSY' . . . 50734 1
10 '3D 1H-15N NOESY' . . . 50734 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50734 1
2 $software_2 . . 50734 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 1 1 MET HA H 1 4.141 0.009 . 1 . . 717 . . 1 MET HA . 50734 1
2 . 1 . 1 1 1 MET HB2 H 1 2.184 0.003 . 1 . . 718 . . 1 MET HB2 . 50734 1
3 . 1 . 1 1 1 MET HB3 H 1 2.184 0.003 . 1 . . 719 . . 1 MET HB3 . 50734 1
4 . 1 . 1 1 1 MET C C 13 171.201 0.014 . 1 . . 674 . . 1 MET C . 50734 1
5 . 1 . 1 1 1 MET CA C 13 55.080 0.028 . 1 . . 673 . . 1 MET CA . 50734 1
6 . 1 . 1 1 1 MET CB C 13 32.193 0.019 . 1 . . 677 . . 1 MET CB . 50734 1
7 . 1 . 1 2 2 ALA H H 1 8.464 0.024 . 1 . . 64 . . 2 ALA H . 50734 1
8 . 1 . 1 2 2 ALA HA H 1 4.459 0.011 . 1 . . 676 . . 2 ALA HA . 50734 1
9 . 1 . 1 2 2 ALA HB1 H 1 1.524 0.0 . 1 . . 675 . . 2 ALA HB1 . 50734 1
10 . 1 . 1 2 2 ALA HB2 H 1 1.524 0.0 . 1 . . 675 . . 2 ALA HB2 . 50734 1
11 . 1 . 1 2 2 ALA HB3 H 1 1.524 0.0 . 1 . . 675 . . 2 ALA HB3 . 50734 1
12 . 1 . 1 2 2 ALA C C 13 174.904 . . 1 . . 435 . . 2 ALA C . 50734 1
13 . 1 . 1 2 2 ALA CA C 13 50.506 0.042 . 1 . . 436 . . 2 ALA CA . 50734 1
14 . 1 . 1 2 2 ALA CB C 13 20.434 . . 1 . . 228 . . 2 ALA CB . 50734 1
15 . 1 . 1 2 2 ALA N N 15 123.797 0.045 . 1 . . 65 . . 2 ALA N . 50734 1
16 . 1 . 1 3 3 PRO HA H 1 4.615 0.003 . 1 . . 936 . . 3 PRO HA . 50734 1
17 . 1 . 1 3 3 PRO HB2 H 1 1.689 . . 2 . . 943 . . 3 PRO HB2 . 50734 1
18 . 1 . 1 3 3 PRO HB3 H 1 2.225 . . 2 . . 944 . . 3 PRO HB3 . 50734 1
19 . 1 . 1 3 3 PRO C C 13 177.236 . . 1 . . 633 . . 3 PRO C . 50734 1
20 . 1 . 1 3 3 PRO CA C 13 62.715 0.029 . 1 . . 632 . . 3 PRO CA . 50734 1
21 . 1 . 1 3 3 PRO CB C 13 31.967 . . 1 . . 635 . . 3 PRO CB . 50734 1
22 . 1 . 1 4 4 VAL H H 1 8.219 0.009 . 1 . . 529 . . 4 VAL H . 50734 1
23 . 1 . 1 4 4 VAL HA H 1 4.382 0.009 . 1 . . 937 . . 4 VAL HA . 50734 1
24 . 1 . 1 4 4 VAL HB H 1 1.717 0.005 . 1 . . 727 . . 4 VAL HB . 50734 1
25 . 1 . 1 4 4 VAL HG11 H 1 0.769 . . 1 . . 953 . . 4 VAL HG11 . 50734 1
26 . 1 . 1 4 4 VAL HG12 H 1 0.769 . . 1 . . 953 . . 4 VAL HG12 . 50734 1
27 . 1 . 1 4 4 VAL HG13 H 1 0.769 . . 1 . . 953 . . 4 VAL HG13 . 50734 1
28 . 1 . 1 4 4 VAL HG21 H 1 0.769 . . 1 . . 954 . . 4 VAL HG21 . 50734 1
29 . 1 . 1 4 4 VAL HG22 H 1 0.769 . . 1 . . 954 . . 4 VAL HG22 . 50734 1
30 . 1 . 1 4 4 VAL HG23 H 1 0.769 . . 1 . . 954 . . 4 VAL HG23 . 50734 1
31 . 1 . 1 4 4 VAL C C 13 174.099 0.009 . 1 . . 619 . . 4 VAL C . 50734 1
32 . 1 . 1 4 4 VAL CA C 13 61.669 0.019 . 1 . . 629 . . 4 VAL CA . 50734 1
33 . 1 . 1 4 4 VAL CB C 13 34.529 0.036 . 1 . . 634 . . 4 VAL CB . 50734 1
34 . 1 . 1 4 4 VAL N N 15 122.030 0.038 . 1 . . 528 . . 4 VAL N . 50734 1
35 . 1 . 1 5 5 GLN H H 1 8.651 0.011 . 1 . . 1 . . 5 GLN H . 50734 1
36 . 1 . 1 5 5 GLN HA H 1 4.908 0.002 . 1 . . 931 . . 5 GLN HA . 50734 1
37 . 1 . 1 5 5 GLN HB2 H 1 2.079 0.024 . 1 . . 728 . . 5 GLN HB2 . 50734 1
38 . 1 . 1 5 5 GLN HB3 H 1 2.079 0.024 . 1 . . 729 . . 5 GLN HB3 . 50734 1
39 . 1 . 1 5 5 GLN HE21 H 1 6.702 0.025 . 1 . . 138 . . 5 GLN HE21 . 50734 1
40 . 1 . 1 5 5 GLN HE22 H 1 7.342 0.025 . 1 . . 686 . . 5 GLN HE22 . 50734 1
41 . 1 . 1 5 5 GLN C C 13 175.182 0.026 . 1 . . 370 . . 5 GLN C . 50734 1
42 . 1 . 1 5 5 GLN CA C 13 54.220 0.055 . 1 . . 438 . . 5 GLN CA . 50734 1
43 . 1 . 1 5 5 GLN CB C 13 30.206 0.078 . 1 . . 284 . . 5 GLN CB . 50734 1
44 . 1 . 1 5 5 GLN CG C 13 33.572 0.069 . 1 . . 688 . . 5 GLN CG . 50734 1
45 . 1 . 1 5 5 GLN CD C 13 179.734 0.02 . 1 . . 689 . . 5 GLN CD . 50734 1
46 . 1 . 1 5 5 GLN N N 15 126.704 0.058 . 1 . . 2 . . 5 GLN N . 50734 1
47 . 1 . 1 5 5 GLN NE2 N 15 110.938 0.236 . 1 . . 687 . . 5 GLN NE2 . 50734 1
48 . 1 . 1 6 6 VAL H H 1 8.919 0.01 . 1 . . 70 . . 6 VAL H . 50734 1
49 . 1 . 1 6 6 VAL HA H 1 4.892 0.013 . 1 . . 737 . . 6 VAL HA . 50734 1
50 . 1 . 1 6 6 VAL HB H 1 1.752 0.015 . 1 . . 738 . . 6 VAL HB . 50734 1
51 . 1 . 1 6 6 VAL HG11 H 1 0.989 0.008 . 2 . . 926 . . 6 VAL HG11 . 50734 1
52 . 1 . 1 6 6 VAL HG12 H 1 0.989 0.008 . 2 . . 926 . . 6 VAL HG12 . 50734 1
53 . 1 . 1 6 6 VAL HG13 H 1 0.989 0.008 . 2 . . 926 . . 6 VAL HG13 . 50734 1
54 . 1 . 1 6 6 VAL HG21 H 1 0.677 0.01 . 2 . . 927 . . 6 VAL HG21 . 50734 1
55 . 1 . 1 6 6 VAL HG22 H 1 0.677 0.01 . 2 . . 927 . . 6 VAL HG22 . 50734 1
56 . 1 . 1 6 6 VAL HG23 H 1 0.677 0.01 . 2 . . 927 . . 6 VAL HG23 . 50734 1
57 . 1 . 1 6 6 VAL C C 13 173.716 0.023 . 1 . . 432 . . 6 VAL C . 50734 1
58 . 1 . 1 6 6 VAL CA C 13 61.496 0.034 . 1 . . 434 . . 6 VAL CA . 50734 1
59 . 1 . 1 6 6 VAL CB C 13 32.695 0.07 . 1 . . 259 . . 6 VAL CB . 50734 1
60 . 1 . 1 6 6 VAL N N 15 128.623 0.05 . 1 . . 71 . . 6 VAL N . 50734 1
61 . 1 . 1 7 7 HIS H H 1 9.097 0.005 . 1 . . 132 . . 7 HIS H . 50734 1
62 . 1 . 1 7 7 HIS HA H 1 5.959 0.01 . 1 . . 730 . . 7 HIS HA . 50734 1
63 . 1 . 1 7 7 HIS HB2 H 1 3.017 0.005 . 2 . . 731 . . 7 HIS HB2 . 50734 1
64 . 1 . 1 7 7 HIS HB3 H 1 2.701 0.022 . 2 . . 732 . . 7 HIS HB3 . 50734 1
65 . 1 . 1 7 7 HIS C C 13 174.822 0.013 . 1 . . 428 . . 7 HIS C . 50734 1
66 . 1 . 1 7 7 HIS CA C 13 54.442 0.037 . 1 . . 429 . . 7 HIS CA . 50734 1
67 . 1 . 1 7 7 HIS CB C 13 35.020 0.063 . 1 . . 266 . . 7 HIS CB . 50734 1
68 . 1 . 1 7 7 HIS N N 15 127.588 0.056 . 1 . . 133 . . 7 HIS N . 50734 1
69 . 1 . 1 8 8 VAL H H 1 7.940 0.007 . 1 . . 32 . . 8 VAL H . 50734 1
70 . 1 . 1 8 8 VAL HA H 1 5.349 0.014 . 1 . . 464 . . 8 VAL HA . 50734 1
71 . 1 . 1 8 8 VAL HB H 1 2.069 0.013 . 1 . . 465 . . 8 VAL HB . 50734 1
72 . 1 . 1 8 8 VAL HG11 H 1 0.377 0.006 . 2 . . 733 . . 8 VAL HG11 . 50734 1
73 . 1 . 1 8 8 VAL HG12 H 1 0.377 0.006 . 2 . . 733 . . 8 VAL HG12 . 50734 1
74 . 1 . 1 8 8 VAL HG13 H 1 0.377 0.006 . 2 . . 733 . . 8 VAL HG13 . 50734 1
75 . 1 . 1 8 8 VAL HG21 H 1 1.213 0.007 . 2 . . 734 . . 8 VAL HG21 . 50734 1
76 . 1 . 1 8 8 VAL HG22 H 1 1.213 0.007 . 2 . . 734 . . 8 VAL HG22 . 50734 1
77 . 1 . 1 8 8 VAL HG23 H 1 1.213 0.007 . 2 . . 734 . . 8 VAL HG23 . 50734 1
78 . 1 . 1 8 8 VAL C C 13 173.828 0.021 . 1 . . 431 . . 8 VAL C . 50734 1
79 . 1 . 1 8 8 VAL CA C 13 59.615 0.035 . 1 . . 377 . . 8 VAL CA . 50734 1
80 . 1 . 1 8 8 VAL CB C 13 34.044 0.07 . 1 . . 271 . . 8 VAL CB . 50734 1
81 . 1 . 1 8 8 VAL N N 15 124.998 0.045 . 1 . . 33 . . 8 VAL N . 50734 1
82 . 1 . 1 9 9 LEU H H 1 8.503 0.005 . 1 . . 40 . . 9 LEU H . 50734 1
83 . 1 . 1 9 9 LEU HA H 1 5.118 0.014 . 1 . . 466 . . 9 LEU HA . 50734 1
84 . 1 . 1 9 9 LEU HB2 H 1 1.859 0.001 . 2 . . 735 . . 9 LEU HB2 . 50734 1
85 . 1 . 1 9 9 LEU HB3 H 1 1.616 . . 2 . . 736 . . 9 LEU HB3 . 50734 1
86 . 1 . 1 9 9 LEU C C 13 175.610 0.02 . 1 . . 430 . . 9 LEU C . 50734 1
87 . 1 . 1 9 9 LEU CA C 13 53.201 0.041 . 1 . . 433 . . 9 LEU CA . 50734 1
88 . 1 . 1 9 9 LEU CB C 13 43.702 0.025 . 1 . . 233 . . 9 LEU CB . 50734 1
89 . 1 . 1 9 9 LEU N N 15 130.227 0.058 . 1 . . 41 . . 9 LEU N . 50734 1
90 . 1 . 1 10 10 TYR H H 1 9.290 0.016 . 1 . . 109 . . 10 TYR H . 50734 1
91 . 1 . 1 10 10 TYR HA H 1 5.628 . . 1 . . 467 . . 10 TYR HA . 50734 1
92 . 1 . 1 10 10 TYR C C 13 173.663 . . 1 . . 439 . . 10 TYR C . 50734 1
93 . 1 . 1 10 10 TYR CA C 13 54.379 0.017 . 1 . . 440 . . 10 TYR CA . 50734 1
94 . 1 . 1 10 10 TYR CB C 13 43.101 . . 1 . . 220 . . 10 TYR CB . 50734 1
95 . 1 . 1 10 10 TYR N N 15 121.919 0.044 . 1 . . 110 . . 10 TYR N . 50734 1
96 . 1 . 1 14 14 CYS C C 13 174.827 . . 1 . . 669 . . 14 CYS C . 50734 1
97 . 1 . 1 14 14 CYS CA C 13 59.336 0.053 . 1 . . 681 . . 14 CYS CA . 50734 1
98 . 1 . 1 15 15 GLY H H 1 8.139 0.005 . 1 . . 185 . . 15 GLY H . 50734 1
99 . 1 . 1 15 15 GLY HA2 H 1 4.328 . . 1 . . 998 . . 15 GLY HA2 . 50734 1
100 . 1 . 1 15 15 GLY C C 13 176.944 0.028 . 1 . . 668 . . 15 GLY C . 50734 1
101 . 1 . 1 15 15 GLY CA C 13 46.174 0.051 . 1 . . 661 . . 15 GLY CA . 50734 1
102 . 1 . 1 15 15 GLY N N 15 105.621 0.029 . 1 . . 186 . . 15 GLY N . 50734 1
103 . 1 . 1 16 16 TYR H H 1 7.540 0.011 . 1 . . 60 . . 16 TYR H . 50734 1
104 . 1 . 1 16 16 TYR C C 13 176.484 0.0 . 1 . . 660 . . 16 TYR C . 50734 1
105 . 1 . 1 16 16 TYR CA C 13 55.279 0.055 . 1 . . 663 . . 16 TYR CA . 50734 1
106 . 1 . 1 16 16 TYR CB C 13 36.237 0.087 . 1 . . 662 . . 16 TYR CB . 50734 1
107 . 1 . 1 16 16 TYR N N 15 115.202 0.033 . 1 . . 61 . . 16 TYR N . 50734 1
108 . 1 . 1 17 17 GLY H H 1 9.598 0.004 . 1 . . 678 . . 17 GLY H . 50734 1
109 . 1 . 1 17 17 GLY CA C 13 48.079 . . 1 . . 680 . . 17 GLY CA . 50734 1
110 . 1 . 1 17 17 GLY N N 15 113.085 0.009 . 1 . . 679 . . 17 GLY N . 50734 1
111 . 1 . 1 18 18 SER C C 13 177.186 . . 1 . . 399 . . 18 SER C . 50734 1
112 . 1 . 1 18 18 SER CA C 13 61.794 0.035 . 1 . . 401 . . 18 SER CA . 50734 1
113 . 1 . 1 18 18 SER CB C 13 62.186 . . 1 . . 400 . . 18 SER CB . 50734 1
114 . 1 . 1 19 19 ARG H H 1 7.353 0.01 . 1 . . 14 . . 19 ARG H . 50734 1
115 . 1 . 1 19 19 ARG HA H 1 4.046 0.012 . 1 . . 743 . . 19 ARG HA . 50734 1
116 . 1 . 1 19 19 ARG HB2 H 1 1.381 0.007 . 2 . . 750 . . 19 ARG HB2 . 50734 1
117 . 1 . 1 19 19 ARG HB3 H 1 1.763 0.005 . 2 . . 751 . . 19 ARG HB3 . 50734 1
118 . 1 . 1 19 19 ARG C C 13 179.911 0.017 . 1 . . 397 . . 19 ARG C . 50734 1
119 . 1 . 1 19 19 ARG CA C 13 58.158 0.083 . 1 . . 398 . . 19 ARG CA . 50734 1
120 . 1 . 1 19 19 ARG CB C 13 29.632 0.067 . 1 . . 232 . . 19 ARG CB . 50734 1
121 . 1 . 1 19 19 ARG N N 15 123.319 0.082 . 1 . . 15 . . 19 ARG N . 50734 1
122 . 1 . 1 20 20 TYR H H 1 7.844 0.007 . 1 . . 144 . . 20 TYR H . 50734 1
123 . 1 . 1 20 20 TYR HA H 1 4.101 0.008 . 1 . . 744 . . 20 TYR HA . 50734 1
124 . 1 . 1 20 20 TYR HB2 H 1 2.681 0.008 . 2 . . 746 . . 20 TYR HB2 . 50734 1
125 . 1 . 1 20 20 TYR HB3 H 1 2.260 0.008 . 2 . . 747 . . 20 TYR HB3 . 50734 1
126 . 1 . 1 20 20 TYR C C 13 175.762 0.018 . 1 . . 402 . . 20 TYR C . 50734 1
127 . 1 . 1 20 20 TYR CA C 13 62.433 0.036 . 1 . . 403 . . 20 TYR CA . 50734 1
128 . 1 . 1 20 20 TYR CB C 13 37.717 0.07 . 1 . . 215 . . 20 TYR CB . 50734 1
129 . 1 . 1 20 20 TYR N N 15 121.197 0.08 . 1 . . 145 . . 20 TYR N . 50734 1
130 . 1 . 1 21 21 ARG H H 1 8.126 0.015 . 1 . . 212 . . 21 ARG H . 50734 1
131 . 1 . 1 21 21 ARG HA H 1 3.575 0.012 . 1 . . 745 . . 21 ARG HA . 50734 1
132 . 1 . 1 21 21 ARG HB2 H 1 1.784 0.019 . 1 . . 748 . . 21 ARG HB2 . 50734 1
133 . 1 . 1 21 21 ARG HB3 H 1 1.784 0.019 . 1 . . 749 . . 21 ARG HB3 . 50734 1
134 . 1 . 1 21 21 ARG C C 13 179.227 0.016 . 1 . . 405 . . 21 ARG C . 50734 1
135 . 1 . 1 21 21 ARG CA C 13 59.222 0.077 . 1 . . 404 . . 21 ARG CA . 50734 1
136 . 1 . 1 21 21 ARG CB C 13 29.328 0.027 . 1 . . 254 . . 21 ARG CB . 50734 1
137 . 1 . 1 21 21 ARG N N 15 118.505 0.039 . 1 . . 213 . . 21 ARG N . 50734 1
138 . 1 . 1 22 22 SER H H 1 7.884 0.013 . 1 . . 90 . . 22 SER H . 50734 1
139 . 1 . 1 22 22 SER HA H 1 4.164 0.01 . 1 . . 755 . . 22 SER HA . 50734 1
140 . 1 . 1 22 22 SER HB2 H 1 3.891 0.002 . 2 . . 756 . . 22 SER HB2 . 50734 1
141 . 1 . 1 22 22 SER HB3 H 1 3.826 0.003 . 2 . . 757 . . 22 SER HB3 . 50734 1
142 . 1 . 1 22 22 SER C C 13 176.837 . . 1 . . 375 . . 22 SER C . 50734 1
143 . 1 . 1 22 22 SER CA C 13 61.564 0.042 . 1 . . 406 . . 22 SER CA . 50734 1
144 . 1 . 1 22 22 SER CB C 13 62.655 0.022 . 1 . . 253 . . 22 SER CB . 50734 1
145 . 1 . 1 22 22 SER N N 15 113.842 0.066 . 1 . . 91 . . 22 SER N . 50734 1
146 . 1 . 1 23 23 LEU H H 1 7.522 0.005 . 1 . . 26 . . 23 LEU H . 50734 1
147 . 1 . 1 23 23 LEU HA H 1 4.222 0.008 . 1 . . 754 . . 23 LEU HA . 50734 1
148 . 1 . 1 23 23 LEU HB2 H 1 1.643 0.019 . 2 . . 752 . . 23 LEU HB2 . 50734 1
149 . 1 . 1 23 23 LEU HB3 H 1 2.097 0.013 . 2 . . 753 . . 23 LEU HB3 . 50734 1
150 . 1 . 1 23 23 LEU C C 13 177.584 0.013 . 1 . . 371 . . 23 LEU C . 50734 1
151 . 1 . 1 23 23 LEU CA C 13 57.877 0.021 . 1 . . 372 . . 23 LEU CA . 50734 1
152 . 1 . 1 23 23 LEU CB C 13 41.243 0.021 . 1 . . 273 . . 23 LEU CB . 50734 1
153 . 1 . 1 23 23 LEU N N 15 125.188 0.06 . 1 . . 27 . . 23 LEU N . 50734 1
154 . 1 . 1 24 24 GLU H H 1 8.325 0.009 . 1 . . 163 . . 24 GLU H . 50734 1
155 . 1 . 1 24 24 GLU HA H 1 3.438 0.009 . 1 . . 739 . . 24 GLU HA . 50734 1
156 . 1 . 1 24 24 GLU HB2 H 1 1.492 0.013 . 2 . . 740 . . 24 GLU HB2 . 50734 1
157 . 1 . 1 24 24 GLU HB3 H 1 1.131 0.018 . 2 . . 741 . . 24 GLU HB3 . 50734 1
158 . 1 . 1 24 24 GLU C C 13 178.253 0.015 . 1 . . 373 . . 24 GLU C . 50734 1
159 . 1 . 1 24 24 GLU CA C 13 59.844 0.047 . 1 . . 374 . . 24 GLU CA . 50734 1
160 . 1 . 1 24 24 GLU CB C 13 28.473 0.009 . 1 . . 241 . . 24 GLU CB . 50734 1
161 . 1 . 1 24 24 GLU N N 15 120.478 0.045 . 1 . . 164 . . 24 GLU N . 50734 1
162 . 1 . 1 25 25 ASN H H 1 7.899 0.005 . 1 . . 68 . . 25 ASN H . 50734 1
163 . 1 . 1 25 25 ASN HA H 1 4.243 0.015 . 1 . . 758 . . 25 ASN HA . 50734 1
164 . 1 . 1 25 25 ASN HB2 H 1 2.744 0.009 . 1 . . 505 . . 25 ASN HB2 . 50734 1
165 . 1 . 1 25 25 ASN HB3 H 1 2.744 0.009 . 1 . . 759 . . 25 ASN HB3 . 50734 1
166 . 1 . 1 25 25 ASN HD21 H 1 6.803 0.032 . 1 . . 670 . . 25 ASN HD21 . 50734 1
167 . 1 . 1 25 25 ASN HD22 H 1 7.663 0.047 . 1 . . 671 . . 25 ASN HD22 . 50734 1
168 . 1 . 1 25 25 ASN C C 13 176.978 0.014 . 1 . . 338 . . 25 ASN C . 50734 1
169 . 1 . 1 25 25 ASN CA C 13 56.569 0.062 . 1 . . 337 . . 25 ASN CA . 50734 1
170 . 1 . 1 25 25 ASN CB C 13 38.484 0.049 . 1 . . 267 . . 25 ASN CB . 50734 1
171 . 1 . 1 25 25 ASN CG C 13 175.880 0.01 . 1 . . 444 . . 25 ASN CG . 50734 1
172 . 1 . 1 25 25 ASN N N 15 115.092 0.055 . 1 . . 69 . . 25 ASN N . 50734 1
173 . 1 . 1 25 25 ASN ND2 N 15 112.732 0.286 . 1 . . 9 . . 25 ASN ND2 . 50734 1
174 . 1 . 1 26 26 ALA H H 1 8.177 0.013 . 1 . . 130 . . 26 ALA H . 50734 1
175 . 1 . 1 26 26 ALA HA H 1 4.134 0.009 . 1 . . 761 . . 26 ALA HA . 50734 1
176 . 1 . 1 26 26 ALA HB1 H 1 1.715 0.016 . 1 . . 760 . . 26 ALA HB1 . 50734 1
177 . 1 . 1 26 26 ALA HB2 H 1 1.715 0.016 . 1 . . 760 . . 26 ALA HB2 . 50734 1
178 . 1 . 1 26 26 ALA HB3 H 1 1.715 0.016 . 1 . . 760 . . 26 ALA HB3 . 50734 1
179 . 1 . 1 26 26 ALA C C 13 181.231 0.014 . 1 . . 297 . . 26 ALA C . 50734 1
180 . 1 . 1 26 26 ALA CA C 13 55.368 0.05 . 1 . . 300 . . 26 ALA CA . 50734 1
181 . 1 . 1 26 26 ALA CB C 13 17.606 0.087 . 1 . . 272 . . 26 ALA CB . 50734 1
182 . 1 . 1 26 26 ALA N N 15 121.892 0.054 . 1 . . 131 . . 26 ALA N . 50734 1
183 . 1 . 1 27 27 ILE H H 1 8.538 0.011 . 1 . . 210 . . 27 ILE H . 50734 1
184 . 1 . 1 27 27 ILE HA H 1 3.870 0.008 . 1 . . 763 . . 27 ILE HA . 50734 1
185 . 1 . 1 27 27 ILE HB H 1 2.366 0.016 . 1 . . 764 . . 27 ILE HB . 50734 1
186 . 1 . 1 27 27 ILE C C 13 177.352 0.024 . 1 . . 340 . . 27 ILE C . 50734 1
187 . 1 . 1 27 27 ILE CA C 13 66.322 0.047 . 1 . . 339 . . 27 ILE CA . 50734 1
188 . 1 . 1 27 27 ILE CB C 13 38.202 0.016 . 1 . . 262 . . 27 ILE CB . 50734 1
189 . 1 . 1 27 27 ILE N N 15 118.708 0.074 . 1 . . 211 . . 27 ILE N . 50734 1
190 . 1 . 1 28 28 ARG H H 1 8.545 0.01 . 1 . . 194 . . 28 ARG H . 50734 1
191 . 1 . 1 28 28 ARG HA H 1 4.128 0.025 . 1 . . 762 . . 28 ARG HA . 50734 1
192 . 1 . 1 28 28 ARG HB2 H 1 1.885 0.017 . 1 . . 765 . . 28 ARG HB2 . 50734 1
193 . 1 . 1 28 28 ARG HB3 H 1 1.885 0.017 . 1 . . 766 . . 28 ARG HB3 . 50734 1
194 . 1 . 1 28 28 ARG C C 13 179.020 0.019 . 1 . . 343 . . 28 ARG C . 50734 1
195 . 1 . 1 28 28 ARG CA C 13 60.054 0.077 . 1 . . 342 . . 28 ARG CA . 50734 1
196 . 1 . 1 28 28 ARG CB C 13 29.906 0.037 . 1 . . 341 . . 28 ARG CB . 50734 1
197 . 1 . 1 28 28 ARG N N 15 119.298 0.059 . 1 . . 195 . . 28 ARG N . 50734 1
198 . 1 . 1 29 29 MET H H 1 8.015 0.013 . 1 . . 196 . . 29 MET H . 50734 1
199 . 1 . 1 29 29 MET HA H 1 4.186 0.011 . 1 . . 767 . . 29 MET HA . 50734 1
200 . 1 . 1 29 29 MET HB2 H 1 2.656 0.008 . 2 . . 771 . . 29 MET HB2 . 50734 1
201 . 1 . 1 29 29 MET HB3 H 1 2.038 0.02 . 2 . . 772 . . 29 MET HB3 . 50734 1
202 . 1 . 1 29 29 MET C C 13 177.839 0.017 . 1 . . 344 . . 29 MET C . 50734 1
203 . 1 . 1 29 29 MET CA C 13 57.149 0.07 . 1 . . 345 . . 29 MET CA . 50734 1
204 . 1 . 1 29 29 MET CB C 13 32.618 0.079 . 1 . . 250 . . 29 MET CB . 50734 1
205 . 1 . 1 29 29 MET N N 15 114.458 0.053 . 1 . . 197 . . 29 MET N . 50734 1
206 . 1 . 1 30 30 LYS H H 1 7.420 0.005 . 1 . . 159 . . 30 LYS H . 50734 1
207 . 1 . 1 30 30 LYS HA H 1 3.806 0.01 . 1 . . 768 . . 30 LYS HA . 50734 1
208 . 1 . 1 30 30 LYS HB2 H 1 0.980 0.016 . 2 . . 769 . . 30 LYS HB2 . 50734 1
209 . 1 . 1 30 30 LYS HB3 H 1 1.184 0.006 . 2 . . 770 . . 30 LYS HB3 . 50734 1
210 . 1 . 1 30 30 LYS C C 13 175.684 0.032 . 1 . . 347 . . 30 LYS C . 50734 1
211 . 1 . 1 30 30 LYS CA C 13 56.063 0.036 . 1 . . 346 . . 30 LYS CA . 50734 1
212 . 1 . 1 30 30 LYS CB C 13 32.336 0.072 . 1 . . 279 . . 30 LYS CB . 50734 1
213 . 1 . 1 30 30 LYS N N 15 120.817 0.068 . 1 . . 160 . . 30 LYS N . 50734 1
214 . 1 . 1 31 31 PHE H H 1 7.699 0.007 . 1 . . 46 . . 31 PHE H . 50734 1
215 . 1 . 1 31 31 PHE HA H 1 4.991 . . 1 . . 901 . . 31 PHE HA . 50734 1
216 . 1 . 1 31 31 PHE HB2 H 1 2.861 . . 1 . . 904 . . 31 PHE HB2 . 50734 1
217 . 1 . 1 31 31 PHE HB3 H 1 2.861 . . 1 . . 905 . . 31 PHE HB3 . 50734 1
218 . 1 . 1 31 31 PHE C C 13 173.458 . . 1 . . 349 . . 31 PHE C . 50734 1
219 . 1 . 1 31 31 PHE CA C 13 54.491 0.022 . 1 . . 348 . . 31 PHE CA . 50734 1
220 . 1 . 1 31 31 PHE CB C 13 39.390 . . 1 . . 278 . . 31 PHE CB . 50734 1
221 . 1 . 1 31 31 PHE N N 15 115.823 0.053 . 1 . . 47 . . 31 PHE N . 50734 1
222 . 1 . 1 32 32 PRO HA H 1 4.628 . . 1 . . 893 . . 32 PRO HA . 50734 1
223 . 1 . 1 32 32 PRO HB2 H 1 1.948 0.01 . 2 . . 896 . . 32 PRO HB2 . 50734 1
224 . 1 . 1 32 32 PRO HB3 H 1 2.321 . . 2 . . 898 . . 32 PRO HB3 . 50734 1
225 . 1 . 1 32 32 PRO C C 13 178.290 0.033 . 1 . . 578 . . 32 PRO C . 50734 1
226 . 1 . 1 32 32 PRO CA C 13 64.957 0.044 . 1 . . 579 . . 32 PRO CA . 50734 1
227 . 1 . 1 32 32 PRO CB C 13 31.695 0.043 . 1 . . 581 . . 32 PRO CB . 50734 1
228 . 1 . 1 33 33 ASN H H 1 8.793 0.023 . 1 . . 54 . . 33 ASN H . 50734 1
229 . 1 . 1 33 33 ASN HA H 1 4.866 0.022 . 1 . . 890 . . 33 ASN HA . 50734 1
230 . 1 . 1 33 33 ASN HB2 H 1 3.009 0.015 . 2 . . 881 . . 33 ASN HB2 . 50734 1
231 . 1 . 1 33 33 ASN HB3 H 1 2.769 0.026 . 2 . . 882 . . 33 ASN HB3 . 50734 1
232 . 1 . 1 33 33 ASN HD21 H 1 7.653 0.042 . 1 . . 652 . . 33 ASN HD21 . 50734 1
233 . 1 . 1 33 33 ASN HD22 H 1 7.004 0.037 . 1 . . 654 . . 33 ASN HD22 . 50734 1
234 . 1 . 1 33 33 ASN C C 13 174.377 0.016 . 1 . . 565 . . 33 ASN C . 50734 1
235 . 1 . 1 33 33 ASN CA C 13 53.111 0.069 . 1 . . 446 . . 33 ASN CA . 50734 1
236 . 1 . 1 33 33 ASN CB C 13 38.866 0.053 . 1 . . 447 . . 33 ASN CB . 50734 1
237 . 1 . 1 33 33 ASN CG C 13 177.940 0.005 . 1 . . 445 . . 33 ASN CG . 50734 1
238 . 1 . 1 33 33 ASN N N 15 115.521 0.052 . 1 . . 55 . . 33 ASN N . 50734 1
239 . 1 . 1 33 33 ASN ND2 N 15 113.361 0.274 . 1 . . 653 . . 33 ASN ND2 . 50734 1
240 . 1 . 1 34 34 ALA H H 1 7.300 0.008 . 1 . . 100 . . 34 ALA H . 50734 1
241 . 1 . 1 34 34 ALA HA H 1 4.479 0.018 . 1 . . 889 . . 34 ALA HA . 50734 1
242 . 1 . 1 34 34 ALA HB1 H 1 1.428 0.008 . 1 . . 879 . . 34 ALA HB1 . 50734 1
243 . 1 . 1 34 34 ALA HB2 H 1 1.428 0.008 . 1 . . 879 . . 34 ALA HB2 . 50734 1
244 . 1 . 1 34 34 ALA HB3 H 1 1.428 0.008 . 1 . . 879 . . 34 ALA HB3 . 50734 1
245 . 1 . 1 34 34 ALA C C 13 176.706 0.013 . 1 . . 395 . . 34 ALA C . 50734 1
246 . 1 . 1 34 34 ALA CA C 13 51.422 0.054 . 1 . . 394 . . 34 ALA CA . 50734 1
247 . 1 . 1 34 34 ALA CB C 13 22.089 0.074 . 1 . . 396 . . 34 ALA CB . 50734 1
248 . 1 . 1 34 34 ALA N N 15 122.233 0.025 . 1 . . 101 . . 34 ALA N . 50734 1
249 . 1 . 1 35 35 ASP H H 1 8.757 0.024 . 1 . . 58 . . 35 ASP H . 50734 1
250 . 1 . 1 35 35 ASP HA H 1 4.722 0.011 . 1 . . 854 . . 35 ASP HA . 50734 1
251 . 1 . 1 35 35 ASP HB2 H 1 2.472 0.014 . 2 . . 873 . . 35 ASP HB2 . 50734 1
252 . 1 . 1 35 35 ASP HB3 H 1 2.875 0.006 . 2 . . 874 . . 35 ASP HB3 . 50734 1
253 . 1 . 1 35 35 ASP C C 13 173.975 0.02 . 1 . . 392 . . 35 ASP C . 50734 1
254 . 1 . 1 35 35 ASP CA C 13 53.413 0.063 . 1 . . 393 . . 35 ASP CA . 50734 1
255 . 1 . 1 35 35 ASP CB C 13 39.570 0.082 . 1 . . 264 . . 35 ASP CB . 50734 1
256 . 1 . 1 35 35 ASP N N 15 123.343 0.046 . 1 . . 59 . . 35 ASP N . 50734 1
257 . 1 . 1 36 36 ILE H H 1 7.576 0.012 . 1 . . 187 . . 36 ILE H . 50734 1
258 . 1 . 1 36 36 ILE HA H 1 4.491 0.013 . 1 . . 850 . . 36 ILE HA . 50734 1
259 . 1 . 1 36 36 ILE HB H 1 1.446 0.014 . 1 . . 862 . . 36 ILE HB . 50734 1
260 . 1 . 1 36 36 ILE C C 13 175.125 0.02 . 1 . . 389 . . 36 ILE C . 50734 1
261 . 1 . 1 36 36 ILE CA C 13 59.838 0.046 . 1 . . 388 . . 36 ILE CA . 50734 1
262 . 1 . 1 36 36 ILE CB C 13 40.372 0.028 . 1 . . 248 . . 36 ILE CB . 50734 1
263 . 1 . 1 36 36 ILE N N 15 123.620 0.045 . 1 . . 188 . . 36 ILE N . 50734 1
264 . 1 . 1 37 37 LYS H H 1 8.770 0.006 . 1 . . 111 . . 37 LYS H . 50734 1
265 . 1 . 1 37 37 LYS HA H 1 4.684 0.005 . 1 . . 720 . . 37 LYS HA . 50734 1
266 . 1 . 1 37 37 LYS HB2 H 1 1.762 0.014 . 2 . . 863 . . 37 LYS HB2 . 50734 1
267 . 1 . 1 37 37 LYS HB3 H 1 1.762 0.014 . 2 . . 864 . . 37 LYS HB3 . 50734 1
268 . 1 . 1 37 37 LYS C C 13 174.888 0.03 . 1 . . 545 . . 37 LYS C . 50734 1
269 . 1 . 1 37 37 LYS CA C 13 54.414 0.011 . 1 . . 441 . . 37 LYS CA . 50734 1
270 . 1 . 1 37 37 LYS CB C 13 33.955 0.069 . 1 . . 249 . . 37 LYS CB . 50734 1
271 . 1 . 1 37 37 LYS N N 15 127.992 0.056 . 1 . . 112 . . 37 LYS N . 50734 1
272 . 1 . 1 38 38 PHE H H 1 8.978 0.029 . 1 . . 82 . . 38 PHE H . 50734 1
273 . 1 . 1 38 38 PHE HA H 1 5.663 0.005 . 1 . . 468 . . 38 PHE HA . 50734 1
274 . 1 . 1 38 38 PHE HB2 H 1 3.517 0.006 . 2 . . 469 . . 38 PHE HB2 . 50734 1
275 . 1 . 1 38 38 PHE HB3 H 1 2.966 0.009 . 2 . . 470 . . 38 PHE HB3 . 50734 1
276 . 1 . 1 38 38 PHE C C 13 176.530 0.019 . 1 . . 308 . . 38 PHE C . 50734 1
277 . 1 . 1 38 38 PHE CA C 13 57.799 0.08 . 1 . . 309 . . 38 PHE CA . 50734 1
278 . 1 . 1 38 38 PHE CB C 13 41.480 0.075 . 1 . . 541 . . 38 PHE CB . 50734 1
279 . 1 . 1 38 38 PHE N N 15 124.170 0.044 . 1 . . 83 . . 38 PHE N . 50734 1
280 . 1 . 1 39 39 SER H H 1 9.557 0.007 . 1 . . 30 . . 39 SER H . 50734 1
281 . 1 . 1 39 39 SER HA H 1 4.863 0.005 . 1 . . 471 . . 39 SER HA . 50734 1
282 . 1 . 1 39 39 SER HB2 H 1 3.870 0.015 . 2 . . 472 . . 39 SER HB2 . 50734 1
283 . 1 . 1 39 39 SER HB3 H 1 4.236 0.004 . 2 . . 473 . . 39 SER HB3 . 50734 1
284 . 1 . 1 39 39 SER C C 13 172.316 0.028 . 1 . . 301 . . 39 SER C . 50734 1
285 . 1 . 1 39 39 SER CA C 13 57.623 0.069 . 1 . . 304 . . 39 SER CA . 50734 1
286 . 1 . 1 39 39 SER CB C 13 65.894 0.084 . 1 . . 263 . . 39 SER CB . 50734 1
287 . 1 . 1 39 39 SER N N 15 117.760 0.048 . 1 . . 31 . . 39 SER N . 50734 1
288 . 1 . 1 40 40 PHE H H 1 8.115 0.023 . 1 . . 96 . . 40 PHE H . 50734 1
289 . 1 . 1 40 40 PHE HA H 1 5.202 0.011 . 1 . . 474 . . 40 PHE HA . 50734 1
290 . 1 . 1 40 40 PHE HB2 H 1 2.645 . . 2 . . 475 . . 40 PHE HB2 . 50734 1
291 . 1 . 1 40 40 PHE HB3 H 1 2.647 0.002 . 2 . . 476 . . 40 PHE HB3 . 50734 1
292 . 1 . 1 40 40 PHE C C 13 174.024 0.019 . 1 . . 302 . . 40 PHE C . 50734 1
293 . 1 . 1 40 40 PHE CA C 13 55.799 0.031 . 1 . . 303 . . 40 PHE CA . 50734 1
294 . 1 . 1 40 40 PHE CB C 13 41.681 0.024 . 1 . . 236 . . 40 PHE CB . 50734 1
295 . 1 . 1 40 40 PHE N N 15 113.667 0.055 . 1 . . 97 . . 40 PHE N . 50734 1
296 . 1 . 1 41 41 GLU H H 1 8.513 0.007 . 1 . . 121 . . 41 GLU H . 50734 1
297 . 1 . 1 41 41 GLU HA H 1 4.253 0.0 . 1 . . 773 . . 41 GLU HA . 50734 1
298 . 1 . 1 41 41 GLU HB2 H 1 2.170 0.0 . 2 . . 774 . . 41 GLU HB2 . 50734 1
299 . 1 . 1 41 41 GLU HB3 H 1 1.952 0.006 . 2 . . 775 . . 41 GLU HB3 . 50734 1
300 . 1 . 1 41 41 GLU C C 13 172.604 0.018 . 1 . . 305 . . 41 GLU C . 50734 1
301 . 1 . 1 41 41 GLU CA C 13 55.612 0.08 . 1 . . 306 . . 41 GLU CA . 50734 1
302 . 1 . 1 41 41 GLU CB C 13 32.818 0.0 . 1 . . 247 . . 41 GLU CB . 50734 1
303 . 1 . 1 41 41 GLU N N 15 121.915 0.068 . 1 . . 122 . . 41 GLU N . 50734 1
304 . 1 . 1 42 42 ALA H H 1 8.764 0.024 . 1 . . 94 . . 42 ALA H . 50734 1
305 . 1 . 1 42 42 ALA HA H 1 4.644 0.012 . 1 . . 311 . . 42 ALA HA . 50734 1
306 . 1 . 1 42 42 ALA HB1 H 1 1.039 0.001 . 1 . . 310 . . 42 ALA HB1 . 50734 1
307 . 1 . 1 42 42 ALA HB2 H 1 1.039 0.001 . 1 . . 310 . . 42 ALA HB2 . 50734 1
308 . 1 . 1 42 42 ALA HB3 H 1 1.039 0.001 . 1 . . 310 . . 42 ALA HB3 . 50734 1
309 . 1 . 1 42 42 ALA CA C 13 48.850 . . 1 . . 307 . . 42 ALA CA . 50734 1
310 . 1 . 1 42 42 ALA N N 15 129.492 0.073 . 1 . . 95 . . 42 ALA N . 50734 1
311 . 1 . 1 45 45 GLN HE21 H 1 7.576 0.034 . 1 . . 702 . . 45 GLN HE21 . 50734 1
312 . 1 . 1 45 45 GLN HE22 H 1 6.957 0.033 . 1 . . 703 . . 45 GLN HE22 . 50734 1
313 . 1 . 1 45 45 GLN CB C 13 28.621 0.013 . 1 . . 704 . . 45 GLN CB . 50734 1
314 . 1 . 1 45 45 GLN CG C 13 33.735 0.064 . 1 . . 705 . . 45 GLN CG . 50734 1
315 . 1 . 1 45 45 GLN CD C 13 180.875 0.016 . 1 . . 700 . . 45 GLN CD . 50734 1
316 . 1 . 1 45 45 GLN NE2 N 15 111.964 0.27 . 1 . . 701 . . 45 GLN NE2 . 50734 1
317 . 1 . 1 50 50 PHE HA H 1 4.692 0.013 . 1 . . 603 . . 50 PHE HA . 50734 1
318 . 1 . 1 50 50 PHE HB2 H 1 3.084 . . 2 . . 604 . . 50 PHE HB2 . 50734 1
319 . 1 . 1 50 50 PHE HB3 H 1 3.570 . . 2 . . 605 . . 50 PHE HB3 . 50734 1
320 . 1 . 1 50 50 PHE C C 13 172.616 0.032 . 1 . . 368 . . 50 PHE C . 50734 1
321 . 1 . 1 50 50 PHE CA C 13 62.479 0.062 . 1 . . 369 . . 50 PHE CA . 50734 1
322 . 1 . 1 50 50 PHE CB C 13 38.727 0.067 . 1 . . 257 . . 50 PHE CB . 50734 1
323 . 1 . 1 51 51 GLU H H 1 9.514 0.009 . 1 . . 86 . . 51 GLU H . 50734 1
324 . 1 . 1 51 51 GLU HA H 1 5.462 0.009 . 1 . . 602 . . 51 GLU HA . 50734 1
325 . 1 . 1 51 51 GLU HB2 H 1 2.435 0.012 . 1 . . 721 . . 51 GLU HB2 . 50734 1
326 . 1 . 1 51 51 GLU HB3 H 1 2.435 0.012 . 1 . . 722 . . 51 GLU HB3 . 50734 1
327 . 1 . 1 51 51 GLU C C 13 175.383 0.012 . 1 . . 361 . . 51 GLU C . 50734 1
328 . 1 . 1 51 51 GLU CA C 13 53.661 0.021 . 1 . . 362 . . 51 GLU CA . 50734 1
329 . 1 . 1 51 51 GLU CB C 13 31.966 0.031 . 1 . . 258 . . 51 GLU CB . 50734 1
330 . 1 . 1 51 51 GLU N N 15 128.664 0.066 . 1 . . 87 . . 51 GLU N . 50734 1
331 . 1 . 1 52 52 VAL H H 1 9.688 0.013 . 1 . . 36 . . 52 VAL H . 50734 1
332 . 1 . 1 52 52 VAL HA H 1 4.777 0.012 . 1 . . 726 . . 52 VAL HA . 50734 1
333 . 1 . 1 52 52 VAL HB H 1 2.346 0.014 . 1 . . 723 . . 52 VAL HB . 50734 1
334 . 1 . 1 52 52 VAL HG11 H 1 1.047 0.013 . 1 . . 724 . . 52 VAL HG11 . 50734 1
335 . 1 . 1 52 52 VAL HG12 H 1 1.047 0.013 . 1 . . 724 . . 52 VAL HG12 . 50734 1
336 . 1 . 1 52 52 VAL HG13 H 1 1.047 0.013 . 1 . . 724 . . 52 VAL HG13 . 50734 1
337 . 1 . 1 52 52 VAL HG21 H 1 1.047 0.013 . 1 . . 725 . . 52 VAL HG21 . 50734 1
338 . 1 . 1 52 52 VAL HG22 H 1 1.047 0.013 . 1 . . 725 . . 52 VAL HG22 . 50734 1
339 . 1 . 1 52 52 VAL HG23 H 1 1.047 0.013 . 1 . . 725 . . 52 VAL HG23 . 50734 1
340 . 1 . 1 52 52 VAL C C 13 174.588 0.02 . 1 . . 364 . . 52 VAL C . 50734 1
341 . 1 . 1 52 52 VAL CA C 13 61.784 0.03 . 1 . . 365 . . 52 VAL CA . 50734 1
342 . 1 . 1 52 52 VAL CB C 13 33.507 0.064 . 1 . . 243 . . 52 VAL CB . 50734 1
343 . 1 . 1 52 52 VAL N N 15 123.732 0.055 . 1 . . 37 . . 52 VAL N . 50734 1
344 . 1 . 1 53 53 GLU H H 1 9.861 0.011 . 1 . . 20 . . 53 GLU H . 50734 1
345 . 1 . 1 53 53 GLU HA H 1 5.566 0.008 . 1 . . 477 . . 53 GLU HA . 50734 1
346 . 1 . 1 53 53 GLU HB2 H 1 2.252 0.014 . 2 . . 479 . . 53 GLU HB2 . 50734 1
347 . 1 . 1 53 53 GLU HB3 H 1 1.654 0.018 . 2 . . 480 . . 53 GLU HB3 . 50734 1
348 . 1 . 1 53 53 GLU HG2 H 1 1.818 . . 1 . . 992 . . 53 GLU HG2 . 50734 1
349 . 1 . 1 53 53 GLU C C 13 176.311 0.016 . 1 . . 366 . . 53 GLU C . 50734 1
350 . 1 . 1 53 53 GLU CA C 13 54.041 0.046 . 1 . . 363 . . 53 GLU CA . 50734 1
351 . 1 . 1 53 53 GLU CB C 13 33.914 0.001 . 1 . . 231 . . 53 GLU CB . 50734 1
352 . 1 . 1 53 53 GLU N N 15 128.671 0.069 . 1 . . 21 . . 53 GLU N . 50734 1
353 . 1 . 1 54 54 VAL H H 1 8.793 0.004 . 1 . . 155 . . 54 VAL H . 50734 1
354 . 1 . 1 54 54 VAL HA H 1 4.769 0.024 . 1 . . 478 . . 54 VAL HA . 50734 1
355 . 1 . 1 54 54 VAL HB H 1 1.973 0.007 . 1 . . 481 . . 54 VAL HB . 50734 1
356 . 1 . 1 54 54 VAL HG11 H 1 0.668 0.003 . 2 . . 987 . . 54 VAL HG11 . 50734 1
357 . 1 . 1 54 54 VAL HG12 H 1 0.668 0.003 . 2 . . 987 . . 54 VAL HG12 . 50734 1
358 . 1 . 1 54 54 VAL HG13 H 1 0.668 0.003 . 2 . . 987 . . 54 VAL HG13 . 50734 1
359 . 1 . 1 54 54 VAL HG21 H 1 0.908 . . 2 . . 989 . . 54 VAL HG21 . 50734 1
360 . 1 . 1 54 54 VAL HG22 H 1 0.908 . . 2 . . 989 . . 54 VAL HG22 . 50734 1
361 . 1 . 1 54 54 VAL HG23 H 1 0.908 . . 2 . . 989 . . 54 VAL HG23 . 50734 1
362 . 1 . 1 54 54 VAL C C 13 176.237 0.055 . 1 . . 367 . . 54 VAL C . 50734 1
363 . 1 . 1 54 54 VAL CA C 13 61.007 0.045 . 1 . . 591 . . 54 VAL CA . 50734 1
364 . 1 . 1 54 54 VAL CB C 13 33.551 0.035 . 1 . . 242 . . 54 VAL CB . 50734 1
365 . 1 . 1 54 54 VAL N N 15 120.839 0.081 . 1 . . 156 . . 54 VAL N . 50734 1
366 . 1 . 1 55 55 ASN H H 1 10.004 0.014 . 1 . . 80 . . 55 ASN H . 50734 1
367 . 1 . 1 55 55 ASN HA H 1 4.539 0.008 . 1 . . 488 . . 55 ASN HA . 50734 1
368 . 1 . 1 55 55 ASN HB2 H 1 2.859 0.01 . 2 . . 486 . . 55 ASN HB2 . 50734 1
369 . 1 . 1 55 55 ASN HB3 H 1 3.295 0.011 . 2 . . 487 . . 55 ASN HB3 . 50734 1
370 . 1 . 1 55 55 ASN HD21 H 1 7.824 0.038 . 1 . . 119 . . 55 ASN HD21 . 50734 1
371 . 1 . 1 55 55 ASN HD22 H 1 7.024 0.031 . 1 . . 127 . . 55 ASN HD22 . 50734 1
372 . 1 . 1 55 55 ASN C C 13 175.792 0.023 . 1 . . 499 . . 55 ASN C . 50734 1
373 . 1 . 1 55 55 ASN CA C 13 53.883 0.057 . 1 . . 501 . . 55 ASN CA . 50734 1
374 . 1 . 1 55 55 ASN CB C 13 36.507 0.009 . 1 . . 282 . . 55 ASN CB . 50734 1
375 . 1 . 1 55 55 ASN N N 15 130.583 0.081 . 1 . . 81 . . 55 ASN N . 50734 1
376 . 1 . 1 55 55 ASN ND2 N 15 110.543 0.153 . 1 . . 120 . . 55 ASN ND2 . 50734 1
377 . 1 . 1 56 56 GLY H H 1 9.094 0.018 . 1 . . 198 . . 56 GLY H . 50734 1
378 . 1 . 1 56 56 GLY HA2 H 1 4.088 0.013 . 2 . . 484 . . 56 GLY HA2 . 50734 1
379 . 1 . 1 56 56 GLY HA3 H 1 3.695 0.007 . 2 . . 485 . . 56 GLY HA3 . 50734 1
380 . 1 . 1 56 56 GLY C C 13 173.104 0.021 . 1 . . 360 . . 56 GLY C . 50734 1
381 . 1 . 1 56 56 GLY CA C 13 45.479 0.072 . 1 . . 482 . . 56 GLY CA . 50734 1
382 . 1 . 1 56 56 GLY N N 15 103.366 0.068 . 1 . . 199 . . 56 GLY N . 50734 1
383 . 1 . 1 57 57 GLU H H 1 7.808 0.004 . 1 . . 134 . . 57 GLU H . 50734 1
384 . 1 . 1 57 57 GLU HA H 1 4.515 0.014 . 1 . . 483 . . 57 GLU HA . 50734 1
385 . 1 . 1 57 57 GLU HB2 H 1 2.020 0.008 . 1 . . 495 . . 57 GLU HB2 . 50734 1
386 . 1 . 1 57 57 GLU HB3 H 1 2.020 0.008 . 1 . . 496 . . 57 GLU HB3 . 50734 1
387 . 1 . 1 57 57 GLU HG2 H 1 2.269 . . 1 . . 497 . . 57 GLU HG2 . 50734 1
388 . 1 . 1 57 57 GLU C C 13 175.640 0.02 . 1 . . 358 . . 57 GLU C . 50734 1
389 . 1 . 1 57 57 GLU CA C 13 54.505 0.021 . 1 . . 359 . . 57 GLU CA . 50734 1
390 . 1 . 1 57 57 GLU CB C 13 31.108 0.073 . 1 . . 270 . . 57 GLU CB . 50734 1
391 . 1 . 1 57 57 GLU N N 15 121.672 0.05 . 1 . . 135 . . 57 GLU N . 50734 1
392 . 1 . 1 58 58 LEU H H 1 8.934 0.024 . 1 . . 123 . . 58 LEU H . 50734 1
393 . 1 . 1 58 58 LEU HA H 1 4.434 0.008 . 1 . . 786 . . 58 LEU HA . 50734 1
394 . 1 . 1 58 58 LEU HB2 H 1 1.572 0.003 . 2 . . 777 . . 58 LEU HB2 . 50734 1
395 . 1 . 1 58 58 LEU HB3 H 1 1.981 . . 2 . . 778 . . 58 LEU HB3 . 50734 1
396 . 1 . 1 58 58 LEU C C 13 176.381 0.021 . 1 . . 356 . . 58 LEU C . 50734 1
397 . 1 . 1 58 58 LEU CA C 13 55.992 0.069 . 1 . . 357 . . 58 LEU CA . 50734 1
398 . 1 . 1 58 58 LEU CB C 13 41.583 0.066 . 1 . . 275 . . 58 LEU CB . 50734 1
399 . 1 . 1 58 58 LEU N N 15 129.176 0.053 . 1 . . 124 . . 58 LEU N . 50734 1
400 . 1 . 1 59 59 VAL H H 1 9.249 0.013 . 1 . . 12 . . 59 VAL H . 50734 1
401 . 1 . 1 59 59 VAL HA H 1 4.490 0.01 . 1 . . 783 . . 59 VAL HA . 50734 1
402 . 1 . 1 59 59 VAL HB H 1 2.100 0.011 . 1 . . 776 . . 59 VAL HB . 50734 1
403 . 1 . 1 59 59 VAL HG11 H 1 1.056 0.008 . 1 . . 779 . . 59 VAL HG11 . 50734 1
404 . 1 . 1 59 59 VAL HG12 H 1 1.056 0.008 . 1 . . 779 . . 59 VAL HG12 . 50734 1
405 . 1 . 1 59 59 VAL HG13 H 1 1.056 0.008 . 1 . . 779 . . 59 VAL HG13 . 50734 1
406 . 1 . 1 59 59 VAL HG21 H 1 1.056 0.008 . 1 . . 780 . . 59 VAL HG21 . 50734 1
407 . 1 . 1 59 59 VAL HG22 H 1 1.056 0.008 . 1 . . 780 . . 59 VAL HG22 . 50734 1
408 . 1 . 1 59 59 VAL HG23 H 1 1.056 0.008 . 1 . . 780 . . 59 VAL HG23 . 50734 1
409 . 1 . 1 59 59 VAL C C 13 174.931 0.019 . 1 . . 350 . . 59 VAL C . 50734 1
410 . 1 . 1 59 59 VAL CA C 13 62.365 0.029 . 1 . . 351 . . 59 VAL CA . 50734 1
411 . 1 . 1 59 59 VAL CB C 13 33.570 0.063 . 1 . . 276 . . 59 VAL CB . 50734 1
412 . 1 . 1 59 59 VAL N N 15 126.396 0.072 . 1 . . 13 . . 59 VAL N . 50734 1
413 . 1 . 1 60 60 HIS H H 1 7.645 0.006 . 1 . . 208 . . 60 HIS H . 50734 1
414 . 1 . 1 60 60 HIS HA H 1 4.597 0.008 . 1 . . 784 . . 60 HIS HA . 50734 1
415 . 1 . 1 60 60 HIS HB2 H 1 2.943 0.013 . 1 . . 781 . . 60 HIS HB2 . 50734 1
416 . 1 . 1 60 60 HIS HB3 H 1 2.943 0.013 . 1 . . 782 . . 60 HIS HB3 . 50734 1
417 . 1 . 1 60 60 HIS C C 13 173.365 0.015 . 1 . . 352 . . 60 HIS C . 50734 1
418 . 1 . 1 60 60 HIS CA C 13 57.034 0.042 . 1 . . 353 . . 60 HIS CA . 50734 1
419 . 1 . 1 60 60 HIS CB C 13 35.070 0.031 . 1 . . 224 . . 60 HIS CB . 50734 1
420 . 1 . 1 60 60 HIS N N 15 118.845 0.057 . 1 . . 209 . . 60 HIS N . 50734 1
421 . 1 . 1 61 61 SER H H 1 8.545 0.013 . 1 . . 74 . . 61 SER H . 50734 1
422 . 1 . 1 61 61 SER HA H 1 5.138 0.014 . 1 . . 789 . . 61 SER HA . 50734 1
423 . 1 . 1 61 61 SER HB2 H 1 3.616 0.01 . 1 . . 787 . . 61 SER HB2 . 50734 1
424 . 1 . 1 61 61 SER HB3 H 1 3.616 0.01 . 1 . . 788 . . 61 SER HB3 . 50734 1
425 . 1 . 1 61 61 SER C C 13 174.790 0.015 . 1 . . 355 . . 61 SER C . 50734 1
426 . 1 . 1 61 61 SER CA C 13 55.334 0.073 . 1 . . 354 . . 61 SER CA . 50734 1
427 . 1 . 1 61 61 SER CB C 13 64.611 0.059 . 1 . . 255 . . 61 SER CB . 50734 1
428 . 1 . 1 61 61 SER N N 15 122.148 0.069 . 1 . . 75 . . 61 SER N . 50734 1
429 . 1 . 1 62 62 LYS H H 1 8.487 0.006 . 1 . . 88 . . 62 LYS H . 50734 1
430 . 1 . 1 62 62 LYS HA H 1 4.203 0.005 . 1 . . 785 . . 62 LYS HA . 50734 1
431 . 1 . 1 62 62 LYS HB2 H 1 2.079 0.012 . 1 . . 790 . . 62 LYS HB2 . 50734 1
432 . 1 . 1 62 62 LYS HB3 H 1 2.079 0.012 . 1 . . 791 . . 62 LYS HB3 . 50734 1
433 . 1 . 1 62 62 LYS C C 13 180.983 . . 1 . . 312 . . 62 LYS C . 50734 1
434 . 1 . 1 62 62 LYS CA C 13 60.024 0.069 . 1 . . 313 . . 62 LYS CA . 50734 1
435 . 1 . 1 62 62 LYS CB C 13 35.233 . . 1 . . 256 . . 62 LYS CB . 50734 1
436 . 1 . 1 62 62 LYS N N 15 134.636 0.060 . 1 . . 89 . . 62 LYS N . 50734 1
437 . 1 . 1 63 63 LYS HA H 1 3.967 0.011 . 1 . . 793 . . 63 LYS HA . 50734 1
438 . 1 . 1 63 63 LYS HB2 H 1 1.554 0.008 . 1 . . 797 . . 63 LYS HB2 . 50734 1
439 . 1 . 1 63 63 LYS HB3 H 1 1.554 0.008 . 1 . . 798 . . 63 LYS HB3 . 50734 1
440 . 1 . 1 63 63 LYS C C 13 178.292 0.022 . 1 . . 418 . . 63 LYS C . 50734 1
441 . 1 . 1 63 63 LYS CA C 13 59.771 0.026 . 1 . . 419 . . 63 LYS CA . 50734 1
442 . 1 . 1 63 63 LYS CB C 13 31.863 0.025 . 1 . . 214 . . 63 LYS CB . 50734 1
443 . 1 . 1 64 64 ASN H H 1 8.352 0.01 . 1 . . 167 . . 64 ASN H . 50734 1
444 . 1 . 1 64 64 ASN HA H 1 4.818 0.006 . 1 . . 792 . . 64 ASN HA . 50734 1
445 . 1 . 1 64 64 ASN HB2 H 1 3.058 0.001 . 2 . . 794 . . 64 ASN HB2 . 50734 1
446 . 1 . 1 64 64 ASN HB3 H 1 2.501 0.004 . 2 . . 795 . . 64 ASN HB3 . 50734 1
447 . 1 . 1 64 64 ASN HD21 H 1 7.553 0.036 . 1 . . 150 . . 64 ASN HD21 . 50734 1
448 . 1 . 1 64 64 ASN HD22 H 1 6.953 0.037 . 1 . . 659 . . 64 ASN HD22 . 50734 1
449 . 1 . 1 64 64 ASN C C 13 175.843 0.036 . 1 . . 416 . . 64 ASN C . 50734 1
450 . 1 . 1 64 64 ASN CA C 13 52.717 0.067 . 1 . . 417 . . 64 ASN CA . 50734 1
451 . 1 . 1 64 64 ASN CB C 13 37.965 0.089 . 1 . . 222 . . 64 ASN CB . 50734 1
452 . 1 . 1 64 64 ASN CG C 13 177.401 0.008 . 1 . . 657 . . 64 ASN CG . 50734 1
453 . 1 . 1 64 64 ASN N N 15 114.688 0.051 . 1 . . 168 . . 64 ASN N . 50734 1
454 . 1 . 1 64 64 ASN ND2 N 15 112.179 0.253 . 1 . . 658 . . 64 ASN ND2 . 50734 1
455 . 1 . 1 65 65 GLY H H 1 7.540 0.003 . 1 . . 181 . . 65 GLY H . 50734 1
456 . 1 . 1 65 65 GLY HA2 H 1 3.934 0.014 . 2 . . 448 . . 65 GLY HA2 . 50734 1
457 . 1 . 1 65 65 GLY HA3 H 1 4.479 0.013 . 2 . . 449 . . 65 GLY HA3 . 50734 1
458 . 1 . 1 65 65 GLY C C 13 176.168 0.018 . 1 . . 287 . . 65 GLY C . 50734 1
459 . 1 . 1 65 65 GLY CA C 13 46.054 0.026 . 1 . . 286 . . 65 GLY CA . 50734 1
460 . 1 . 1 65 65 GLY N N 15 105.817 0.067 . 1 . . 182 . . 65 GLY N . 50734 1
461 . 1 . 1 66 66 GLY H H 1 8.688 0.013 . 1 . . 157 . . 66 GLY H . 50734 1
462 . 1 . 1 66 66 GLY HA2 H 1 3.240 0.011 . 2 . . 450 . . 66 GLY HA2 . 50734 1
463 . 1 . 1 66 66 GLY HA3 H 1 4.045 0.018 . 2 . . 451 . . 66 GLY HA3 . 50734 1
464 . 1 . 1 66 66 GLY C C 13 173.891 0.032 . 1 . . 415 . . 66 GLY C . 50734 1
465 . 1 . 1 66 66 GLY CA C 13 45.685 0.044 . 1 . . 420 . . 66 GLY CA . 50734 1
466 . 1 . 1 66 66 GLY N N 15 109.475 0.051 . 1 . . 158 . . 66 GLY N . 50734 1
467 . 1 . 1 67 67 GLY H H 1 8.652 0.025 . 1 . . 173 . . 67 GLY H . 50734 1
468 . 1 . 1 67 67 GLY HA2 H 1 3.863 0.012 . 2 . . 452 . . 67 GLY HA2 . 50734 1
469 . 1 . 1 67 67 GLY HA3 H 1 4.162 0.014 . 2 . . 453 . . 67 GLY HA3 . 50734 1
470 . 1 . 1 67 67 GLY C C 13 174.132 0.018 . 1 . . 421 . . 67 GLY C . 50734 1
471 . 1 . 1 67 67 GLY CA C 13 44.601 0.023 . 1 . . 290 . . 67 GLY CA . 50734 1
472 . 1 . 1 67 67 GLY N N 15 107.049 0.069 . 1 . . 174 . . 67 GLY N . 50734 1
473 . 1 . 1 68 68 HIS H H 1 8.479 0.014 . 1 . . 34 . . 68 HIS H . 50734 1
474 . 1 . 1 68 68 HIS HA H 1 4.346 0.007 . 1 . . 796 . . 68 HIS HA . 50734 1
475 . 1 . 1 68 68 HIS HB2 H 1 2.404 0.003 . 2 . . 799 . . 68 HIS HB2 . 50734 1
476 . 1 . 1 68 68 HIS HB3 H 1 2.581 0.013 . 2 . . 800 . . 68 HIS HB3 . 50734 1
477 . 1 . 1 68 68 HIS C C 13 176.507 0.015 . 1 . . 422 . . 68 HIS C . 50734 1
478 . 1 . 1 68 68 HIS CA C 13 56.714 0.016 . 1 . . 423 . . 68 HIS CA . 50734 1
479 . 1 . 1 68 68 HIS CB C 13 33.052 0.026 . 1 . . 260 . . 68 HIS CB . 50734 1
480 . 1 . 1 68 68 HIS N N 15 117.712 0.043 . 1 . . 35 . . 68 HIS N . 50734 1
481 . 1 . 1 69 69 VAL H H 1 8.407 0.014 . 1 . . 204 . . 69 VAL H . 50734 1
482 . 1 . 1 69 69 VAL HA H 1 3.449 0.016 . 1 . . 803 . . 69 VAL HA . 50734 1
483 . 1 . 1 69 69 VAL HB H 1 1.791 0.024 . 1 . . 804 . . 69 VAL HB . 50734 1
484 . 1 . 1 69 69 VAL HG11 H 1 -0.013 0.01 . 2 . . 805 . . 69 VAL HG11 . 50734 1
485 . 1 . 1 69 69 VAL HG12 H 1 -0.013 0.01 . 2 . . 805 . . 69 VAL HG12 . 50734 1
486 . 1 . 1 69 69 VAL HG13 H 1 -0.013 0.01 . 2 . . 805 . . 69 VAL HG13 . 50734 1
487 . 1 . 1 69 69 VAL HG21 H 1 0.548 0.002 . 2 . . 806 . . 69 VAL HG21 . 50734 1
488 . 1 . 1 69 69 VAL HG22 H 1 0.548 0.002 . 2 . . 806 . . 69 VAL HG22 . 50734 1
489 . 1 . 1 69 69 VAL HG23 H 1 0.548 0.002 . 2 . . 806 . . 69 VAL HG23 . 50734 1
490 . 1 . 1 69 69 VAL C C 13 175.741 0.032 . 1 . . 336 . . 69 VAL C . 50734 1
491 . 1 . 1 69 69 VAL CA C 13 62.053 0.043 . 1 . . 335 . . 69 VAL CA . 50734 1
492 . 1 . 1 69 69 VAL CB C 13 28.005 0.046 . 1 . . 239 . . 69 VAL CB . 50734 1
493 . 1 . 1 69 69 VAL N N 15 119.101 0.084 . 1 . . 205 . . 69 VAL N . 50734 1
494 . 1 . 1 70 70 ASP H H 1 7.637 0.003 . 1 . . 62 . . 70 ASP H . 50734 1
495 . 1 . 1 70 70 ASP HA H 1 4.528 0.011 . 1 . . 459 . . 70 ASP HA . 50734 1
496 . 1 . 1 70 70 ASP HB2 H 1 3.038 0.004 . 2 . . 460 . . 70 ASP HB2 . 50734 1
497 . 1 . 1 70 70 ASP HB3 H 1 1.979 0.011 . 2 . . 461 . . 70 ASP HB3 . 50734 1
498 . 1 . 1 70 70 ASP C C 13 175.663 0.038 . 1 . . 333 . . 70 ASP C . 50734 1
499 . 1 . 1 70 70 ASP CA C 13 52.839 0.065 . 1 . . 334 . . 70 ASP CA . 50734 1
500 . 1 . 1 70 70 ASP CB C 13 40.899 0.083 . 1 . . 223 . . 70 ASP CB . 50734 1
501 . 1 . 1 70 70 ASP N N 15 122.578 0.037 . 1 . . 63 . . 70 ASP N . 50734 1
502 . 1 . 1 71 71 ASN H H 1 7.406 0.003 . 1 . . 143 . . 71 ASN H . 50734 1
503 . 1 . 1 71 71 ASN HA H 1 4.633 0.014 . 1 . . 462 . . 71 ASN HA . 50734 1
504 . 1 . 1 71 71 ASN HB2 H 1 3.087 0.018 . 1 . . 463 . . 71 ASN HB2 . 50734 1
505 . 1 . 1 71 71 ASN HB3 H 1 3.087 0.018 . 1 . . 807 . . 71 ASN HB3 . 50734 1
506 . 1 . 1 71 71 ASN HD21 H 1 7.129 0.042 . 1 . . 146 . . 71 ASN HD21 . 50734 1
507 . 1 . 1 71 71 ASN HD22 H 1 7.399 0.028 . 1 . . 656 . . 71 ASN HD22 . 50734 1
508 . 1 . 1 71 71 ASN C C 13 175.166 0.017 . 1 . . 331 . . 71 ASN C . 50734 1
509 . 1 . 1 71 71 ASN CA C 13 52.249 0.064 . 1 . . 332 . . 71 ASN CA . 50734 1
510 . 1 . 1 71 71 ASN CB C 13 39.561 0.083 . 1 . . 219 . . 71 ASN CB . 50734 1
511 . 1 . 1 71 71 ASN CG C 13 175.485 0.007 . 1 . . 655 . . 71 ASN CG . 50734 1
512 . 1 . 1 71 71 ASN N N 15 112.835 0.054 . 1 . . 3 . . 71 ASN N . 50734 1
513 . 1 . 1 71 71 ASN ND2 N 15 110.773 0.2 . 1 . . 147 . . 71 ASN ND2 . 50734 1
514 . 1 . 1 72 72 GLN H H 1 8.626 0.013 . 1 . . 206 . . 72 GLN H . 50734 1
515 . 1 . 1 72 72 GLN HA H 1 3.915 0.002 . 1 . . 808 . . 72 GLN HA . 50734 1
516 . 1 . 1 72 72 GLN HB2 H 1 2.049 0.003 . 1 . . 812 . . 72 GLN HB2 . 50734 1
517 . 1 . 1 72 72 GLN HB3 H 1 2.049 0.003 . 1 . . 813 . . 72 GLN HB3 . 50734 1
518 . 1 . 1 72 72 GLN HE21 H 1 7.980 0.044 . 1 . . 52 . . 72 GLN HE21 . 50734 1
519 . 1 . 1 72 72 GLN HE22 H 1 6.728 0.025 . 1 . . 108 . . 72 GLN HE22 . 50734 1
520 . 1 . 1 72 72 GLN C C 13 177.226 0.01 . 1 . . 329 . . 72 GLN C . 50734 1
521 . 1 . 1 72 72 GLN CA C 13 58.358 0.039 . 1 . . 330 . . 72 GLN CA . 50734 1
522 . 1 . 1 72 72 GLN CB C 13 28.285 0.079 . 1 . . 229 . . 72 GLN CB . 50734 1
523 . 1 . 1 72 72 GLN CG C 13 33.189 0.071 . 1 . . 442 . . 72 GLN CG . 50734 1
524 . 1 . 1 72 72 GLN CD C 13 180.101 0.014 . 1 . . 443 . . 72 GLN CD . 50734 1
525 . 1 . 1 72 72 GLN N N 15 118.977 0.054 . 1 . . 207 . . 72 GLN N . 50734 1
526 . 1 . 1 72 72 GLN NE2 N 15 111.876 0.236 . 1 . . 53 . . 72 GLN NE2 . 50734 1
527 . 1 . 1 73 73 GLU H H 1 8.367 0.01 . 1 . . 148 . . 73 GLU H . 50734 1
528 . 1 . 1 73 73 GLU HA H 1 3.980 0.01 . 1 . . 809 . . 73 GLU HA . 50734 1
529 . 1 . 1 73 73 GLU HB2 H 1 2.081 0.018 . 2 . . 810 . . 73 GLU HB2 . 50734 1
530 . 1 . 1 73 73 GLU HB3 H 1 2.069 0.006 . 2 . . 814 . . 73 GLU HB3 . 50734 1
531 . 1 . 1 73 73 GLU HG2 H 1 2.265 . . 1 . . 811 . . 73 GLU HG2 . 50734 1
532 . 1 . 1 73 73 GLU HG3 H 1 2.265 . . 1 . . 815 . . 73 GLU HG3 . 50734 1
533 . 1 . 1 73 73 GLU C C 13 179.855 0.019 . 1 . . 328 . . 73 GLU C . 50734 1
534 . 1 . 1 73 73 GLU CA C 13 60.042 0.044 . 1 . . 327 . . 73 GLU CA . 50734 1
535 . 1 . 1 73 73 GLU CB C 13 28.925 0.056 . 1 . . 283 . . 73 GLU CB . 50734 1
536 . 1 . 1 73 73 GLU N N 15 120.939 0.075 . 1 . . 149 . . 73 GLU N . 50734 1
537 . 1 . 1 74 74 LYS H H 1 8.578 0.019 . 1 . . 10 . . 74 LYS H . 50734 1
538 . 1 . 1 74 74 LYS HA H 1 4.107 0.02 . 1 . . 816 . . 74 LYS HA . 50734 1
539 . 1 . 1 74 74 LYS HB2 H 1 1.729 0.007 . 1 . . 817 . . 74 LYS HB2 . 50734 1
540 . 1 . 1 74 74 LYS HB3 H 1 1.729 0.007 . 1 . . 818 . . 74 LYS HB3 . 50734 1
541 . 1 . 1 74 74 LYS C C 13 179.874 0.016 . 1 . . 324 . . 74 LYS C . 50734 1
542 . 1 . 1 74 74 LYS CA C 13 59.354 0.027 . 1 . . 325 . . 74 LYS CA . 50734 1
543 . 1 . 1 74 74 LYS CB C 13 35.171 0.041 . 1 . . 326 . . 74 LYS CB . 50734 1
544 . 1 . 1 74 74 LYS N N 15 118.111 0.051 . 1 . . 11 . . 74 LYS N . 50734 1
545 . 1 . 1 75 75 VAL H H 1 7.466 0.007 . 1 . . 200 . . 75 VAL H . 50734 1
546 . 1 . 1 75 75 VAL HA H 1 3.263 0.011 . 1 . . 822 . . 75 VAL HA . 50734 1
547 . 1 . 1 75 75 VAL HB H 1 1.652 0.006 . 1 . . 821 . . 75 VAL HB . 50734 1
548 . 1 . 1 75 75 VAL HG11 H 1 0.259 0.009 . 2 . . 819 . . 75 VAL HG11 . 50734 1
549 . 1 . 1 75 75 VAL HG12 H 1 0.259 0.009 . 2 . . 819 . . 75 VAL HG12 . 50734 1
550 . 1 . 1 75 75 VAL HG13 H 1 0.259 0.009 . 2 . . 819 . . 75 VAL HG13 . 50734 1
551 . 1 . 1 75 75 VAL HG21 H 1 0.566 0.001 . 2 . . 820 . . 75 VAL HG21 . 50734 1
552 . 1 . 1 75 75 VAL HG22 H 1 0.566 0.001 . 2 . . 820 . . 75 VAL HG22 . 50734 1
553 . 1 . 1 75 75 VAL HG23 H 1 0.566 0.001 . 2 . . 820 . . 75 VAL HG23 . 50734 1
554 . 1 . 1 75 75 VAL C C 13 177.354 0.013 . 1 . . 322 . . 75 VAL C . 50734 1
555 . 1 . 1 75 75 VAL CA C 13 66.082 0.021 . 1 . . 323 . . 75 VAL CA . 50734 1
556 . 1 . 1 75 75 VAL CB C 13 31.288 0.046 . 1 . . 246 . . 75 VAL CB . 50734 1
557 . 1 . 1 75 75 VAL N N 15 119.187 0.083 . 1 . . 201 . . 75 VAL N . 50734 1
558 . 1 . 1 76 76 GLU H H 1 8.578 0.015 . 1 . . 171 . . 76 GLU H . 50734 1
559 . 1 . 1 76 76 GLU HA H 1 3.898 0.017 . 1 . . 823 . . 76 GLU HA . 50734 1
560 . 1 . 1 76 76 GLU HB2 H 1 2.141 . . 1 . . 825 . . 76 GLU HB2 . 50734 1
561 . 1 . 1 76 76 GLU HB3 H 1 2.141 . . 1 . . 826 . . 76 GLU HB3 . 50734 1
562 . 1 . 1 76 76 GLU C C 13 179.749 0.017 . 1 . . 317 . . 76 GLU C . 50734 1
563 . 1 . 1 76 76 GLU CA C 13 59.530 0.069 . 1 . . 319 . . 76 GLU CA . 50734 1
564 . 1 . 1 76 76 GLU CB C 13 28.324 0.079 . 1 . . 321 . . 76 GLU CB . 50734 1
565 . 1 . 1 76 76 GLU N N 15 119.946 0.055 . 1 . . 172 . . 76 GLU N . 50734 1
566 . 1 . 1 77 77 ARG H H 1 7.608 0.008 . 1 . . 179 . . 77 ARG H . 50734 1
567 . 1 . 1 77 77 ARG HA H 1 4.225 0.007 . 1 . . 824 . . 77 ARG HA . 50734 1
568 . 1 . 1 77 77 ARG HB2 H 1 2.025 0.017 . 2 . . 828 . . 77 ARG HB2 . 50734 1
569 . 1 . 1 77 77 ARG HB3 H 1 2.025 0.017 . 2 . . 829 . . 77 ARG HB3 . 50734 1
570 . 1 . 1 77 77 ARG C C 13 179.346 0.01 . 1 . . 316 . . 77 ARG C . 50734 1
571 . 1 . 1 77 77 ARG CA C 13 59.828 0.055 . 1 . . 320 . . 77 ARG CA . 50734 1
572 . 1 . 1 77 77 ARG CB C 13 30.081 0.085 . 1 . . 237 . . 77 ARG CB . 50734 1
573 . 1 . 1 77 77 ARG N N 15 119.732 0.056 . 1 . . 180 . . 77 ARG N . 50734 1
574 . 1 . 1 78 78 ILE H H 1 7.091 0.005 . 1 . . 183 . . 78 ILE H . 50734 1
575 . 1 . 1 78 78 ILE HA H 1 3.683 0.01 . 1 . . 827 . . 78 ILE HA . 50734 1
576 . 1 . 1 78 78 ILE HB H 1 2.124 0.015 . 1 . . 830 . . 78 ILE HB . 50734 1
577 . 1 . 1 78 78 ILE C C 13 178.372 0.02 . 1 . . 315 . . 78 ILE C . 50734 1
578 . 1 . 1 78 78 ILE CA C 13 65.871 0.048 . 1 . . 318 . . 78 ILE CA . 50734 1
579 . 1 . 1 78 78 ILE CB C 13 37.878 0.052 . 1 . . 235 . . 78 ILE CB . 50734 1
580 . 1 . 1 78 78 ILE N N 15 119.734 0.063 . 1 . . 184 . . 78 ILE N . 50734 1
581 . 1 . 1 79 79 PHE H H 1 8.840 0.012 . 1 . . 4 . . 79 PHE H . 50734 1
582 . 1 . 1 79 79 PHE HA H 1 4.793 0.019 . 1 . . 456 . . 79 PHE HA . 50734 1
583 . 1 . 1 79 79 PHE HB2 H 1 3.648 0.005 . 2 . . 831 . . 79 PHE HB2 . 50734 1
584 . 1 . 1 79 79 PHE HB3 H 1 3.480 . . 2 . . 832 . . 79 PHE HB3 . 50734 1
585 . 1 . 1 79 79 PHE C C 13 179.001 0.012 . 1 . . 296 . . 79 PHE C . 50734 1
586 . 1 . 1 79 79 PHE CA C 13 57.459 0.059 . 1 . . 314 . . 79 PHE CA . 50734 1
587 . 1 . 1 79 79 PHE CB C 13 37.144 0.07 . 1 . . 251 . . 79 PHE CB . 50734 1
588 . 1 . 1 79 79 PHE N N 15 118.269 0.042 . 1 . . 5 . . 79 PHE N . 50734 1
589 . 1 . 1 80 80 ALA H H 1 8.931 0.009 . 1 . . 113 . . 80 ALA H . 50734 1
590 . 1 . 1 80 80 ALA HA H 1 4.330 0.014 . 1 . . 455 . . 80 ALA HA . 50734 1
591 . 1 . 1 80 80 ALA HB1 H 1 1.670 0.011 . 1 . . 454 . . 80 ALA HB1 . 50734 1
592 . 1 . 1 80 80 ALA HB2 H 1 1.670 0.011 . 1 . . 454 . . 80 ALA HB2 . 50734 1
593 . 1 . 1 80 80 ALA HB3 H 1 1.670 0.011 . 1 . . 454 . . 80 ALA HB3 . 50734 1
594 . 1 . 1 80 80 ALA C C 13 180.972 0.017 . 1 . . 295 . . 80 ALA C . 50734 1
595 . 1 . 1 80 80 ALA CA C 13 55.391 0.054 . 1 . . 294 . . 80 ALA CA . 50734 1
596 . 1 . 1 80 80 ALA CB C 13 17.908 0.071 . 1 . . 252 . . 80 ALA CB . 50734 1
597 . 1 . 1 80 80 ALA N N 15 121.921 0.056 . 1 . . 114 . . 80 ALA N . 50734 1
598 . 1 . 1 81 81 LYS H H 1 7.468 0.003 . 1 . . 22 . . 81 LYS H . 50734 1
599 . 1 . 1 81 81 LYS HA H 1 4.268 0.001 . 1 . . 934 . . 81 LYS HA . 50734 1
600 . 1 . 1 81 81 LYS HB2 H 1 2.211 0.011 . 1 . . 941 . . 81 LYS HB2 . 50734 1
601 . 1 . 1 81 81 LYS HB3 H 1 2.211 0.011 . 1 . . 942 . . 81 LYS HB3 . 50734 1
602 . 1 . 1 81 81 LYS C C 13 179.835 0.001 . 1 . . 298 . . 81 LYS C . 50734 1
603 . 1 . 1 81 81 LYS CA C 13 57.395 0.051 . 1 . . 299 . . 81 LYS CA . 50734 1
604 . 1 . 1 81 81 LYS CB C 13 31.637 0.031 . 1 . . 268 . . 81 LYS CB . 50734 1
605 . 1 . 1 81 81 LYS N N 15 117.870 0.046 . 1 . . 23 . . 81 LYS N . 50734 1
606 . 1 . 1 82 82 ILE H H 1 8.254 0.008 . 1 . . 106 . . 82 ILE H . 50734 1
607 . 1 . 1 82 82 ILE HA H 1 3.430 0.023 . 1 . . 938 . . 82 ILE HA . 50734 1
608 . 1 . 1 82 82 ILE HB H 1 1.867 0.018 . 1 . . 940 . . 82 ILE HB . 50734 1
609 . 1 . 1 82 82 ILE C C 13 177.124 0.042 . 1 . . 522 . . 82 ILE C . 50734 1
610 . 1 . 1 82 82 ILE CA C 13 66.072 0.051 . 1 . . 524 . . 82 ILE CA . 50734 1
611 . 1 . 1 82 82 ILE CB C 13 37.565 0.024 . 1 . . 218 . . 82 ILE CB . 50734 1
612 . 1 . 1 82 82 ILE N N 15 122.234 0.054 . 1 . . 107 . . 82 ILE N . 50734 1
613 . 1 . 1 83 83 GLY H H 1 8.974 0.017 . 1 . . 177 . . 83 GLY H . 50734 1
614 . 1 . 1 83 83 GLY HA2 H 1 3.644 0.013 . 2 . . 506 . . 83 GLY HA2 . 50734 1
615 . 1 . 1 83 83 GLY HA3 H 1 4.137 0.01 . 2 . . 939 . . 83 GLY HA3 . 50734 1
616 . 1 . 1 83 83 GLY C C 13 177.161 0.067 . 1 . . 521 . . 83 GLY C . 50734 1
617 . 1 . 1 83 83 GLY CA C 13 47.305 0.036 . 1 . . 289 . . 83 GLY CA . 50734 1
618 . 1 . 1 83 83 GLY N N 15 106.613 0.087 . 1 . . 178 . . 83 GLY N . 50734 1
619 . 1 . 1 84 84 GLU H H 1 8.197 0.01 . 1 . . 503 . . 84 GLU H . 50734 1
620 . 1 . 1 84 84 GLU HA H 1 4.054 . . 1 . . 970 . . 84 GLU HA . 50734 1
621 . 1 . 1 84 84 GLU HB2 H 1 2.180 0.025 . 1 . . 963 . . 84 GLU HB2 . 50734 1
622 . 1 . 1 84 84 GLU HB3 H 1 2.180 0.025 . 1 . . 964 . . 84 GLU HB3 . 50734 1
623 . 1 . 1 84 84 GLU C C 13 178.847 0.035 . 1 . . 514 . . 84 GLU C . 50734 1
624 . 1 . 1 84 84 GLU CA C 13 59.249 0.051 . 1 . . 504 . . 84 GLU CA . 50734 1
625 . 1 . 1 84 84 GLU CB C 13 29.871 0.054 . 1 . . 269 . . 84 GLU CB . 50734 1
626 . 1 . 1 84 84 GLU N N 15 121.874 0.032 . 1 . . 502 . . 84 GLU N . 50734 1
627 . 1 . 1 85 85 ALA H H 1 7.592 0.002 . 1 . . 92 . . 85 ALA H . 50734 1
628 . 1 . 1 85 85 ALA HA H 1 4.126 0.008 . 1 . . 458 . . 85 ALA HA . 50734 1
629 . 1 . 1 85 85 ALA HB1 H 1 1.483 0.005 . 1 . . 457 . . 85 ALA HB1 . 50734 1
630 . 1 . 1 85 85 ALA HB2 H 1 1.483 0.005 . 1 . . 457 . . 85 ALA HB2 . 50734 1
631 . 1 . 1 85 85 ALA HB3 H 1 1.483 0.005 . 1 . . 457 . . 85 ALA HB3 . 50734 1
632 . 1 . 1 85 85 ALA C C 13 180.014 0.016 . 1 . . 384 . . 85 ALA C . 50734 1
633 . 1 . 1 85 85 ALA CA C 13 54.703 0.077 . 1 . . 385 . . 85 ALA CA . 50734 1
634 . 1 . 1 85 85 ALA CB C 13 18.524 0.05 . 1 . . 277 . . 85 ALA CB . 50734 1
635 . 1 . 1 85 85 ALA N N 15 122.164 0.058 . 1 . . 93 . . 85 ALA N . 50734 1
636 . 1 . 1 86 86 LEU H H 1 8.056 0.025 . 1 . . 115 . . 86 LEU H . 50734 1
637 . 1 . 1 86 86 LEU HA H 1 4.147 0.021 . 1 . . 980 . . 86 LEU HA . 50734 1
638 . 1 . 1 86 86 LEU HB2 H 1 1.481 0.023 . 2 . . 974 . . 86 LEU HB2 . 50734 1
639 . 1 . 1 86 86 LEU HB3 H 1 1.800 0.017 . 2 . . 975 . . 86 LEU HB3 . 50734 1
640 . 1 . 1 86 86 LEU C C 13 177.760 0.019 . 1 . . 381 . . 86 LEU C . 50734 1
641 . 1 . 1 86 86 LEU CA C 13 56.423 0.075 . 1 . . 382 . . 86 LEU CA . 50734 1
642 . 1 . 1 86 86 LEU CB C 13 42.739 0.084 . 1 . . 383 . . 86 LEU CB . 50734 1
643 . 1 . 1 86 86 LEU N N 15 117.955 0.092 . 1 . . 116 . . 86 LEU N . 50734 1
644 . 1 . 1 87 87 ALA H H 1 7.240 0.004 . 1 . . 165 . . 87 ALA H . 50734 1
645 . 1 . 1 87 87 ALA HA H 1 4.421 0.01 . 1 . . 833 . . 87 ALA HA . 50734 1
646 . 1 . 1 87 87 ALA HB1 H 1 1.494 0.011 . 1 . . 835 . . 87 ALA HB1 . 50734 1
647 . 1 . 1 87 87 ALA HB2 H 1 1.494 0.011 . 1 . . 835 . . 87 ALA HB2 . 50734 1
648 . 1 . 1 87 87 ALA HB3 H 1 1.494 0.011 . 1 . . 835 . . 87 ALA HB3 . 50734 1
649 . 1 . 1 87 87 ALA C C 13 176.840 0.016 . 1 . . 380 . . 87 ALA C . 50734 1
650 . 1 . 1 87 87 ALA CA C 13 52.275 0.011 . 1 . . 379 . . 87 ALA CA . 50734 1
651 . 1 . 1 87 87 ALA CB C 13 19.017 0.068 . 1 . . 227 . . 87 ALA CB . 50734 1
652 . 1 . 1 87 87 ALA N N 15 120.283 0.083 . 1 . . 166 . . 87 ALA N . 50734 1
653 . 1 . 1 88 88 LYS H H 1 7.197 0.004 . 1 . . 38 . . 88 LYS H . 50734 1
654 . 1 . 1 88 88 LYS HA H 1 4.080 0.009 . 1 . . 834 . . 88 LYS HA . 50734 1
655 . 1 . 1 88 88 LYS HB2 H 1 1.799 0.001 . 1 . . 836 . . 88 LYS HB2 . 50734 1
656 . 1 . 1 88 88 LYS HB3 H 1 1.799 0.001 . 1 . . 837 . . 88 LYS HB3 . 50734 1
657 . 1 . 1 88 88 LYS C C 13 181.273 . . 1 . . 376 . . 88 LYS C . 50734 1
658 . 1 . 1 88 88 LYS CA C 13 58.290 0.054 . 1 . . 378 . . 88 LYS CA . 50734 1
659 . 1 . 1 88 88 LYS CB C 13 33.357 . . 1 . . 226 . . 88 LYS CB . 50734 1
660 . 1 . 1 88 88 LYS N N 15 125.000 0.042 . 1 . . 39 . . 88 LYS N . 50734 1
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