Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 50734
_Assigned_chem_shift_list.ID 3
_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 3
2 '3D HNCO' . . . 50734 3
3 '3D HNCA' . . . 50734 3
4 '3D HBHA(CO)NH' . . . 50734 3
5 '3D HN(CO)CA' . . . 50734 3
6 '3D HN(CA)CO' . . . 50734 3
7 '3D HCCH-TOCSY' . . . 50734 3
8 '3D HCCH-COSY' . . . 50734 3
9 '3D 1H-15N TOCSY' . . . 50734 3
10 '3D 1H-15N NOESY' . . . 50734 3
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 3
2 $software_2 . . 50734 3
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 . 3 . 1 3 3 PRO HA H 1 4.762 0.007 . 1 . . 935 . . 3 PRO HA . 50734 3
2 . 3 . 1 3 3 PRO HB2 H 1 2.268 . . 2 . . 949 . . 3 PRO HB2 . 50734 3
3 . 3 . 1 3 3 PRO HB3 H 1 1.801 . . 2 . . 950 . . 3 PRO HB3 . 50734 3
4 . 3 . 1 3 3 PRO C C 13 176.556 0.012 . 1 . . 625 . . 3 PRO C . 50734 3
5 . 3 . 1 3 3 PRO CA C 13 62.205 0.038 . 1 . . 626 . . 3 PRO CA . 50734 3
6 . 3 . 1 3 3 PRO CB C 13 31.573 0.0 . 1 . . 627 . . 3 PRO CB . 50734 3
7 . 3 . 1 4 4 VAL H H 1 8.247 0.008 . 1 . . 530 . . 4 VAL H . 50734 3
8 . 3 . 1 4 4 VAL HA H 1 4.292 0.008 . 1 . . 933 . . 4 VAL HA . 50734 3
9 . 3 . 1 4 4 VAL HB H 1 1.719 0.003 . 1 . . 945 . . 4 VAL HB . 50734 3
10 . 3 . 1 4 4 VAL HG11 H 1 0.770 . . 1 . . 951 . . 4 VAL HG11 . 50734 3
11 . 3 . 1 4 4 VAL HG12 H 1 0.770 . . 1 . . 951 . . 4 VAL HG12 . 50734 3
12 . 3 . 1 4 4 VAL HG13 H 1 0.770 . . 1 . . 951 . . 4 VAL HG13 . 50734 3
13 . 3 . 1 4 4 VAL HG21 H 1 0.770 . . 1 . . 952 . . 4 VAL HG21 . 50734 3
14 . 3 . 1 4 4 VAL HG22 H 1 0.770 . . 1 . . 952 . . 4 VAL HG22 . 50734 3
15 . 3 . 1 4 4 VAL HG23 H 1 0.770 . . 1 . . 952 . . 4 VAL HG23 . 50734 3
16 . 3 . 1 4 4 VAL C C 13 174.203 0.036 . 1 . . 618 . . 4 VAL C . 50734 3
17 . 3 . 1 4 4 VAL CA C 13 61.841 0.046 . 1 . . 623 . . 4 VAL CA . 50734 3
18 . 3 . 1 4 4 VAL CB C 13 33.750 0.012 . 1 . . 624 . . 4 VAL CB . 50734 3
19 . 3 . 1 4 4 VAL N N 15 122.078 0.048 . 1 . . 531 . . 4 VAL N . 50734 3
20 . 3 . 1 5 5 GLN H H 1 8.678 0.008 . 1 . . 614 . . 5 GLN H . 50734 3
21 . 3 . 1 5 5 GLN HA H 1 4.821 0.009 . 1 . . 932 . . 5 GLN HA . 50734 3
22 . 3 . 1 5 5 GLN HB2 H 1 2.137 0.029 . 1 . . 946 . . 5 GLN HB2 . 50734 3
23 . 3 . 1 5 5 GLN HB3 H 1 2.137 0.029 . 1 . . 947 . . 5 GLN HB3 . 50734 3
24 . 3 . 1 5 5 GLN HE21 H 1 7.298 0.019 . 1 . . 697 . . 5 GLN HE21 . 50734 3
25 . 3 . 1 5 5 GLN HE22 H 1 6.719 0.028 . 1 . . 699 . . 5 GLN HE22 . 50734 3
26 . 3 . 1 5 5 GLN C C 13 175.175 0.008 . 1 . . 612 . . 5 GLN C . 50734 3
27 . 3 . 1 5 5 GLN CA C 13 54.532 0.019 . 1 . . 616 . . 5 GLN CA . 50734 3
28 . 3 . 1 5 5 GLN CB C 13 29.951 0.073 . 1 . . 622 . . 5 GLN CB . 50734 3
29 . 3 . 1 5 5 GLN CG C 13 33.609 0.032 . 1 . . 695 . . 5 GLN CG . 50734 3
30 . 3 . 1 5 5 GLN CD C 13 179.544 0.005 . 1 . . 698 . . 5 GLN CD . 50734 3
31 . 3 . 1 5 5 GLN N N 15 126.750 0.024 . 1 . . 615 . . 5 GLN N . 50734 3
32 . 3 . 1 5 5 GLN NE2 N 15 110.891 0.273 . 1 . . 696 . . 5 GLN NE2 . 50734 3
33 . 3 . 1 6 6 VAL H H 1 8.936 0.012 . 1 . . 608 . . 6 VAL H . 50734 3
34 . 3 . 1 6 6 VAL HA H 1 4.877 . . 1 . . 948 . . 6 VAL HA . 50734 3
35 . 3 . 1 6 6 VAL HB H 1 1.743 . . 1 . . 930 . . 6 VAL HB . 50734 3
36 . 3 . 1 6 6 VAL HG11 H 1 0.934 . . 2 . . 928 . . 6 VAL HG11 . 50734 3
37 . 3 . 1 6 6 VAL HG12 H 1 0.934 . . 2 . . 928 . . 6 VAL HG12 . 50734 3
38 . 3 . 1 6 6 VAL HG13 H 1 0.934 . . 2 . . 928 . . 6 VAL HG13 . 50734 3
39 . 3 . 1 6 6 VAL HG21 H 1 0.672 . . 2 . . 929 . . 6 VAL HG21 . 50734 3
40 . 3 . 1 6 6 VAL HG22 H 1 0.672 . . 2 . . 929 . . 6 VAL HG22 . 50734 3
41 . 3 . 1 6 6 VAL HG23 H 1 0.672 . . 2 . . 929 . . 6 VAL HG23 . 50734 3
42 . 3 . 1 6 6 VAL C C 13 173.708 . . 1 . . 613 . . 6 VAL C . 50734 3
43 . 3 . 1 6 6 VAL CA C 13 61.558 . . 1 . . 611 . . 6 VAL CA . 50734 3
44 . 3 . 1 6 6 VAL CB C 13 32.623 . . 1 . . 610 . . 6 VAL CB . 50734 3
45 . 3 . 1 6 6 VAL N N 15 129.053 0.052 . 1 . . 609 . . 6 VAL N . 50734 3
46 . 3 . 1 30 30 LYS HA H 1 3.801 . . 1 . . 903 . . 30 LYS HA . 50734 3
47 . 3 . 1 30 30 LYS HB2 H 1 1.186 0.0 . 2 . . 910 . . 30 LYS HB2 . 50734 3
48 . 3 . 1 30 30 LYS HB3 H 1 0.959 . . 2 . . 912 . . 30 LYS HB3 . 50734 3
49 . 3 . 1 31 31 PHE H H 1 7.682 0.005 . 1 . . 651 . . 31 PHE H . 50734 3
50 . 3 . 1 31 31 PHE HA H 1 4.991 . . 1 . . 900 . . 31 PHE HA . 50734 3
51 . 3 . 1 31 31 PHE HB2 H 1 2.861 . . 1 . . 908 . . 31 PHE HB2 . 50734 3
52 . 3 . 1 31 31 PHE HB3 H 1 2.861 . . 1 . . 909 . . 31 PHE HB3 . 50734 3
53 . 3 . 1 31 31 PHE C C 13 173.255 . . 1 . . 649 . . 31 PHE C . 50734 3
54 . 3 . 1 31 31 PHE N N 15 115.853 0.024 . 1 . . 650 . . 31 PHE N . 50734 3
55 . 3 . 1 32 32 PRO HA H 1 4.628 . . 1 . . 894 . . 32 PRO HA . 50734 3
56 . 3 . 1 32 32 PRO HB2 H 1 1.948 0.01 . 2 . . 895 . . 32 PRO HB2 . 50734 3
57 . 3 . 1 32 32 PRO HB3 H 1 2.321 . . 2 . . 897 . . 32 PRO HB3 . 50734 3
58 . 3 . 1 32 32 PRO C C 13 178.290 0.033 . 1 . . 577 . . 32 PRO C . 50734 3
59 . 3 . 1 32 32 PRO CA C 13 64.957 0.044 . 1 . . 580 . . 32 PRO CA . 50734 3
60 . 3 . 1 32 32 PRO CB C 13 31.695 0.043 . 1 . . 582 . . 32 PRO CB . 50734 3
61 . 3 . 1 33 33 ASN H H 1 8.795 0.025 . 1 . . 576 . . 33 ASN H . 50734 3
62 . 3 . 1 33 33 ASN HA H 1 4.832 0.016 . 1 . . 891 . . 33 ASN HA . 50734 3
63 . 3 . 1 33 33 ASN HB2 H 1 2.780 0.021 . 2 . . 885 . . 33 ASN HB2 . 50734 3
64 . 3 . 1 33 33 ASN HB3 H 1 3.009 0.015 . 2 . . 886 . . 33 ASN HB3 . 50734 3
65 . 3 . 1 33 33 ASN C C 13 174.418 0.017 . 1 . . 568 . . 33 ASN C . 50734 3
66 . 3 . 1 33 33 ASN CA C 13 53.149 0.046 . 1 . . 570 . . 33 ASN CA . 50734 3
67 . 3 . 1 33 33 ASN CB C 13 38.963 . . 1 . . 567 . . 33 ASN CB . 50734 3
68 . 3 . 1 33 33 ASN N N 15 115.521 0.061 . 1 . . 575 . . 33 ASN N . 50734 3
69 . 3 . 1 34 34 ALA H H 1 7.328 0.006 . 1 . . 391 . . 34 ALA H . 50734 3
70 . 3 . 1 34 34 ALA HA H 1 4.500 0.006 . 1 . . 880 . . 34 ALA HA . 50734 3
71 . 3 . 1 34 34 ALA HB1 H 1 1.435 0.0 . 1 . . 877 . . 34 ALA HB1 . 50734 3
72 . 3 . 1 34 34 ALA HB2 H 1 1.435 0.0 . 1 . . 877 . . 34 ALA HB2 . 50734 3
73 . 3 . 1 34 34 ALA HB3 H 1 1.435 0.0 . 1 . . 877 . . 34 ALA HB3 . 50734 3
74 . 3 . 1 34 34 ALA C C 13 177.112 0.017 . 1 . . 558 . . 34 ALA C . 50734 3
75 . 3 . 1 34 34 ALA CA C 13 51.354 0.055 . 1 . . 560 . . 34 ALA CA . 50734 3
76 . 3 . 1 34 34 ALA CB C 13 22.175 0.074 . 1 . . 559 . . 34 ALA CB . 50734 3
77 . 3 . 1 34 34 ALA N N 15 122.319 0.054 . 1 . . 390 . . 34 ALA N . 50734 3
78 . 3 . 1 35 35 ASP H H 1 8.670 0.025 . 1 . . 136 . . 35 ASP H . 50734 3
79 . 3 . 1 35 35 ASP HA H 1 4.721 0.008 . 1 . . 855 . . 35 ASP HA . 50734 3
80 . 3 . 1 35 35 ASP HB2 H 1 2.485 0.004 . 2 . . 871 . . 35 ASP HB2 . 50734 3
81 . 3 . 1 35 35 ASP HB3 H 1 2.883 0.012 . 2 . . 872 . . 35 ASP HB3 . 50734 3
82 . 3 . 1 35 35 ASP C C 13 173.622 0.022 . 1 . . 551 . . 35 ASP C . 50734 3
83 . 3 . 1 35 35 ASP CA C 13 53.564 0.076 . 1 . . 550 . . 35 ASP CA . 50734 3
84 . 3 . 1 35 35 ASP CB C 13 39.417 0.047 . 1 . . 261 . . 35 ASP CB . 50734 3
85 . 3 . 1 35 35 ASP N N 15 123.011 0.049 . 1 . . 137 . . 35 ASP N . 50734 3
86 . 3 . 1 36 36 ILE H H 1 7.463 0.007 . 1 . . 50 . . 36 ILE H . 50734 3
87 . 3 . 1 36 36 ILE HA H 1 4.576 0.006 . 1 . . 852 . . 36 ILE HA . 50734 3
88 . 3 . 1 36 36 ILE HB H 1 1.447 0.018 . 1 . . 867 . . 36 ILE HB . 50734 3
89 . 3 . 1 36 36 ILE C C 13 175.134 0.015 . 1 . . 414 . . 36 ILE C . 50734 3
90 . 3 . 1 36 36 ILE CA C 13 59.395 0.037 . 1 . . 413 . . 36 ILE CA . 50734 3
91 . 3 . 1 36 36 ILE CB C 13 40.449 0.085 . 1 . . 552 . . 36 ILE CB . 50734 3
92 . 3 . 1 36 36 ILE N N 15 124.267 0.039 . 1 . . 51 . . 36 ILE N . 50734 3
93 . 3 . 1 37 37 LYS H H 1 8.999 0.009 . 1 . . 72 . . 37 LYS H . 50734 3
94 . 3 . 1 37 37 LYS HA H 1 4.687 0.01 . 1 . . 849 . . 37 LYS HA . 50734 3
95 . 3 . 1 37 37 LYS HB2 H 1 1.683 0.005 . 1 . . 865 . . 37 LYS HB2 . 50734 3
96 . 3 . 1 37 37 LYS HB3 H 1 1.683 0.005 . 1 . . 866 . . 37 LYS HB3 . 50734 3
97 . 3 . 1 37 37 LYS C C 13 174.803 0.018 . 1 . . 544 . . 37 LYS C . 50734 3
98 . 3 . 1 37 37 LYS CA C 13 54.259 0.045 . 1 . . 543 . . 37 LYS CA . 50734 3
99 . 3 . 1 37 37 LYS CB C 13 34.117 0.042 . 1 . . 542 . . 37 LYS CB . 50734 3
100 . 3 . 1 37 37 LYS N N 15 127.964 0.053 . 1 . . 73 . . 37 LYS N . 50734 3
101 . 3 . 1 38 38 PHE H H 1 8.970 0.027 . 1 . . 44 . . 38 PHE H . 50734 3
102 . 3 . 1 38 38 PHE HA H 1 5.664 . . 1 . . 848 . . 38 PHE HA . 50734 3
103 . 3 . 1 38 38 PHE HB2 H 1 2.965 . . 2 . . 858 . . 38 PHE HB2 . 50734 3
104 . 3 . 1 38 38 PHE HB3 H 1 3.519 . . 2 . . 861 . . 38 PHE HB3 . 50734 3
105 . 3 . 1 38 38 PHE C C 13 176.589 . . 1 . . 539 . . 38 PHE C . 50734 3
106 . 3 . 1 38 38 PHE CA C 13 57.781 . . 1 . . 546 . . 38 PHE CA . 50734 3
107 . 3 . 1 38 38 PHE CB C 13 41.400 . . 1 . . 540 . . 38 PHE CB . 50734 3
108 . 3 . 1 38 38 PHE N N 15 123.717 0.048 . 1 . . 45 . . 38 PHE N . 50734 3
109 . 3 . 1 53 53 GLU HB2 H 1 2.239 . . 2 . . 990 . . 53 GLU HB2 . 50734 3
110 . 3 . 1 53 53 GLU HB3 H 1 1.634 . . 2 . . 991 . . 53 GLU HB3 . 50734 3
111 . 3 . 1 53 53 GLU C C 13 176.307 0.013 . 1 . . 596 . . 53 GLU C . 50734 3
112 . 3 . 1 54 54 VAL H H 1 8.794 0.003 . 1 . . 594 . . 54 VAL H . 50734 3
113 . 3 . 1 54 54 VAL HA H 1 4.775 . . 1 . . 915 . . 54 VAL HA . 50734 3
114 . 3 . 1 54 54 VAL HB H 1 1.967 0.012 . 1 . . 914 . . 54 VAL HB . 50734 3
115 . 3 . 1 54 54 VAL HG11 H 1 0.668 0.003 . 2 . . 986 . . 54 VAL HG11 . 50734 3
116 . 3 . 1 54 54 VAL HG12 H 1 0.668 0.003 . 2 . . 986 . . 54 VAL HG12 . 50734 3
117 . 3 . 1 54 54 VAL HG13 H 1 0.668 0.003 . 2 . . 986 . . 54 VAL HG13 . 50734 3
118 . 3 . 1 54 54 VAL HG21 H 1 0.908 . . 2 . . 988 . . 54 VAL HG21 . 50734 3
119 . 3 . 1 54 54 VAL HG22 H 1 0.908 . . 2 . . 988 . . 54 VAL HG22 . 50734 3
120 . 3 . 1 54 54 VAL HG23 H 1 0.908 . . 2 . . 988 . . 54 VAL HG23 . 50734 3
121 . 3 . 1 54 54 VAL C C 13 176.327 0.027 . 1 . . 589 . . 54 VAL C . 50734 3
122 . 3 . 1 54 54 VAL CA C 13 61.020 0.032 . 1 . . 592 . . 54 VAL CA . 50734 3
123 . 3 . 1 54 54 VAL CB C 13 33.513 0.055 . 1 . . 281 . . 54 VAL CB . 50734 3
124 . 3 . 1 54 54 VAL N N 15 120.831 0.068 . 1 . . 595 . . 54 VAL N . 50734 3
125 . 3 . 1 55 55 ASN H H 1 10.077 0.015 . 1 . . 48 . . 55 ASN H . 50734 3
126 . 3 . 1 55 55 ASN HA H 1 4.510 0.011 . 1 . . 491 . . 55 ASN HA . 50734 3
127 . 3 . 1 55 55 ASN HB2 H 1 2.834 0.012 . 2 . . 489 . . 55 ASN HB2 . 50734 3
128 . 3 . 1 55 55 ASN HB3 H 1 3.284 0.017 . 2 . . 490 . . 55 ASN HB3 . 50734 3
129 . 3 . 1 55 55 ASN HD21 H 1 7.950 0.047 . 1 . . 66 . . 55 ASN HD21 . 50734 3
130 . 3 . 1 55 55 ASN HD22 H 1 6.863 0.056 . 1 . . 191 . . 55 ASN HD22 . 50734 3
131 . 3 . 1 55 55 ASN C C 13 175.753 0.016 . 1 . . 498 . . 55 ASN C . 50734 3
132 . 3 . 1 55 55 ASN CA C 13 53.838 0.067 . 1 . . 500 . . 55 ASN CA . 50734 3
133 . 3 . 1 55 55 ASN CB C 13 36.724 0.042 . 1 . . 280 . . 55 ASN CB . 50734 3
134 . 3 . 1 55 55 ASN N N 15 130.420 0.078 . 1 . . 49 . . 55 ASN N . 50734 3
135 . 3 . 1 55 55 ASN ND2 N 15 111.064 0.199 . 1 . . 67 . . 55 ASN ND2 . 50734 3
136 . 3 . 1 56 56 GLY H H 1 9.144 0.025 . 1 . . 192 . . 56 GLY H . 50734 3
137 . 3 . 1 56 56 GLY HA2 H 1 3.698 0.003 . 2 . . 492 . . 56 GLY HA2 . 50734 3
138 . 3 . 1 56 56 GLY HA3 H 1 4.082 0.003 . 2 . . 493 . . 56 GLY HA3 . 50734 3
139 . 3 . 1 56 56 GLY C C 13 173.102 . . 1 . . 293 . . 56 GLY C . 50734 3
140 . 3 . 1 56 56 GLY CA C 13 45.478 0.044 . 1 . . 292 . . 56 GLY CA . 50734 3
141 . 3 . 1 56 56 GLY N N 15 103.549 0.072 . 1 . . 193 . . 56 GLY N . 50734 3
142 . 3 . 1 83 83 GLY HA2 H 1 3.615 0.009 . 2 . . 962 . . 83 GLY HA2 . 50734 3
143 . 3 . 1 83 83 GLY HA3 H 1 4.137 0.003 . 2 . . 1001 . . 83 GLY HA3 . 50734 3
144 . 3 . 1 83 83 GLY C C 13 177.061 . . 1 . . 642 . . 83 GLY C . 50734 3
145 . 3 . 1 83 83 GLY CA C 13 47.328 0.047 . 1 . . 641 . . 83 GLY CA . 50734 3
146 . 3 . 1 84 84 GLU H H 1 8.036 0.011 . 1 . . 141 . . 84 GLU H . 50734 3
147 . 3 . 1 84 84 GLU HA H 1 4.056 . . 1 . . 971 . . 84 GLU HA . 50734 3
148 . 3 . 1 84 84 GLU HB2 H 1 2.166 0.0 . 1 . . 967 . . 84 GLU HB2 . 50734 3
149 . 3 . 1 84 84 GLU HB3 H 1 2.166 0.0 . 1 . . 968 . . 84 GLU HB3 . 50734 3
150 . 3 . 1 84 84 GLU C C 13 178.864 0.042 . 1 . . 518 . . 84 GLU C . 50734 3
151 . 3 . 1 84 84 GLU CA C 13 59.236 0.075 . 1 . . 519 . . 84 GLU CA . 50734 3
152 . 3 . 1 84 84 GLU CB C 13 29.849 0.073 . 1 . . 643 . . 84 GLU CB . 50734 3
153 . 3 . 1 84 84 GLU N N 15 121.311 0.055 . 1 . . 142 . . 84 GLU N . 50734 3
154 . 3 . 1 85 85 ALA H H 1 7.668 0.004 . 1 . . 84 . . 85 ALA H . 50734 3
155 . 3 . 1 85 85 ALA HA H 1 4.133 0.007 . 1 . . 802 . . 85 ALA HA . 50734 3
156 . 3 . 1 85 85 ALA HB1 H 1 1.493 0.012 . 1 . . 801 . . 85 ALA HB1 . 50734 3
157 . 3 . 1 85 85 ALA HB2 H 1 1.493 0.012 . 1 . . 801 . . 85 ALA HB2 . 50734 3
158 . 3 . 1 85 85 ALA HB3 H 1 1.493 0.012 . 1 . . 801 . . 85 ALA HB3 . 50734 3
159 . 3 . 1 85 85 ALA C C 13 180.393 0.009 . 1 . . 507 . . 85 ALA C . 50734 3
160 . 3 . 1 85 85 ALA CA C 13 54.962 0.028 . 1 . . 437 . . 85 ALA CA . 50734 3
161 . 3 . 1 85 85 ALA CB C 13 18.417 0.086 . 1 . . 426 . . 85 ALA CB . 50734 3
162 . 3 . 1 85 85 ALA N N 15 122.211 0.073 . 1 . . 85 . . 85 ALA N . 50734 3
163 . 3 . 1 86 86 LEU H H 1 8.409 0.016 . 1 . . 425 . . 86 LEU H . 50734 3
164 . 3 . 1 86 86 LEU HA H 1 4.086 0.007 . 1 . . 981 . . 86 LEU HA . 50734 3
165 . 3 . 1 86 86 LEU HB2 H 1 1.845 0.006 . 2 . . 978 . . 86 LEU HB2 . 50734 3
166 . 3 . 1 86 86 LEU HB3 H 1 1.460 . . 2 . . 979 . . 86 LEU HB3 . 50734 3
167 . 3 . 1 86 86 LEU C C 13 178.347 0.023 . 1 . . 427 . . 86 LEU C . 50734 3
168 . 3 . 1 86 86 LEU CA C 13 57.239 0.025 . 1 . . 517 . . 86 LEU CA . 50734 3
169 . 3 . 1 86 86 LEU CB C 13 42.254 0.092 . 1 . . 238 . . 86 LEU CB . 50734 3
170 . 3 . 1 86 86 LEU N N 15 119.112 0.082 . 1 . . 424 . . 86 LEU N . 50734 3
171 . 3 . 1 87 87 ALA H H 1 7.395 0.004 . 1 . . 189 . . 87 ALA H . 50734 3
172 . 3 . 1 87 87 ALA HA H 1 4.283 0.011 . 1 . . 839 . . 87 ALA HA . 50734 3
173 . 3 . 1 87 87 ALA HB1 H 1 1.486 0.014 . 1 . . 843 . . 87 ALA HB1 . 50734 3
174 . 3 . 1 87 87 ALA HB2 H 1 1.486 0.014 . 1 . . 843 . . 87 ALA HB2 . 50734 3
175 . 3 . 1 87 87 ALA HB3 H 1 1.486 0.014 . 1 . . 843 . . 87 ALA HB3 . 50734 3
176 . 3 . 1 87 87 ALA C C 13 177.828 0.018 . 1 . . 510 . . 87 ALA C . 50734 3
177 . 3 . 1 87 87 ALA CA C 13 52.821 0.068 . 1 . . 508 . . 87 ALA CA . 50734 3
178 . 3 . 1 87 87 ALA CB C 13 19.284 0.03 . 1 . . 230 . . 87 ALA CB . 50734 3
179 . 3 . 1 87 87 ALA N N 15 119.549 0.06 . 1 . . 190 . . 87 ALA N . 50734 3
180 . 3 . 1 88 88 LYS H H 1 7.226 0.005 . 1 . . 98 . . 88 LYS H . 50734 3
181 . 3 . 1 88 88 LYS HA H 1 4.005 0.02 . 1 . . 841 . . 88 LYS HA . 50734 3
182 . 3 . 1 88 88 LYS HB2 H 1 1.859 0.003 . 1 . . 844 . . 88 LYS HB2 . 50734 3
183 . 3 . 1 88 88 LYS HB3 H 1 1.859 0.003 . 1 . . 845 . . 88 LYS HB3 . 50734 3
184 . 3 . 1 88 88 LYS C C 13 181.843 . . 1 . . 509 . . 88 LYS C . 50734 3
185 . 3 . 1 88 88 LYS CA C 13 59.430 0.033 . 1 . . 713 . . 88 LYS CA . 50734 3
186 . 3 . 1 88 88 LYS CB C 13 33.308 . . 1 . . 225 . . 88 LYS CB . 50734 3
187 . 3 . 1 88 88 LYS N N 15 123.654 0.041 . 1 . . 99 . . 88 LYS N . 50734 3
stop_
save_