Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2_3"
save_assigned_chem_shift_list_1_2_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3
_Assigned_chem_shift_list.Entry_ID 25372
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_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
2 '3D 1H-15N NOESY' 1 $CG_KIX_15N isotropic 25372 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
4 $CcpNmr_Analysis . . 25372 3
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 MET HA H 1 4.377 . . 1 . . 700 . . 1 MET HA . 25372 3
2 . 1 1 1 1 MET HB2 H 1 1.839 . . 2 . . 914 . . 1 MET HB2 . 25372 3
3 . 1 1 1 1 MET HB3 H 1 1.940 . . 2 . . 915 . . 1 MET HB3 . 25372 3
4 . 1 1 1 1 MET HG2 H 1 2.410 . . 2 . . 701 . . 1 MET HG2 . 25372 3
5 . 1 1 1 1 MET HG3 H 1 2.360 . . 2 . . 702 . . 1 MET HG3 . 25372 3
6 . 1 1 2 2 SER H H 1 9.042 0.0 . 1 . . 128 . . 2 SER H . 25372 3
7 . 1 1 2 2 SER HA H 1 4.469 0.001 . 1 . . 652 . . 2 SER HA . 25372 3
8 . 1 1 2 2 SER HB2 H 1 3.834 . . 2 . . 653 . . 2 SER HB2 . 25372 3
9 . 1 1 2 2 SER HB3 H 1 3.760 . . 2 . . 654 . . 2 SER HB3 . 25372 3
10 . 1 1 2 2 SER N N 15 119.030 0.0 . 1 . . 127 . . 2 SER N . 25372 3
11 . 1 1 3 3 SER H H 1 8.594 0.0 . 1 . . 60 . . 3 SER H . 25372 3
12 . 1 1 3 3 SER HA H 1 4.309 0.0 . 1 . . 676 . . 3 SER HA . 25372 3
13 . 1 1 3 3 SER HB2 H 1 3.926 0.0 . 2 . . 703 . . 3 SER HB2 . 25372 3
14 . 1 1 3 3 SER HB3 H 1 3.808 0.001 . 2 . . 922 . . 3 SER HB3 . 25372 3
15 . 1 1 3 3 SER N N 15 118.443 0.0 . 1 . . 59 . . 3 SER N . 25372 3
16 . 1 1 4 4 LYS H H 1 8.752 0.0 . 1 . . 66 . . 4 LYS H . 25372 3
17 . 1 1 4 4 LYS HA H 1 3.773 0.0 . 1 . . 599 . . 4 LYS HA . 25372 3
18 . 1 1 4 4 LYS HB2 H 1 1.408 0.001 . 2 . . 600 . . 4 LYS HB2 . 25372 3
19 . 1 1 4 4 LYS HB3 H 1 1.215 0.002 . 2 . . 601 . . 4 LYS HB3 . 25372 3
20 . 1 1 4 4 LYS HG2 H 1 0.850 0.001 . 2 . . 704 . . 4 LYS HG2 . 25372 3
21 . 1 1 4 4 LYS HG3 H 1 0.849 . . 2 . . 950 . . 4 LYS HG3 . 25372 3
22 . 1 1 4 4 LYS HD2 H 1 0.974 0.001 . 2 . . 602 . . 4 LYS HD2 . 25372 3
23 . 1 1 4 4 LYS HD3 H 1 0.974 . . 2 . . 949 . . 4 LYS HD3 . 25372 3
24 . 1 1 4 4 LYS HE2 H 1 2.260 . . 2 . . 603 . . 4 LYS HE2 . 25372 3
25 . 1 1 4 4 LYS HE3 H 1 2.433 0.001 . 2 . . 710 . . 4 LYS HE3 . 25372 3
26 . 1 1 4 4 LYS N N 15 125.157 0.0 . 1 . . 65 . . 4 LYS N . 25372 3
27 . 1 1 5 5 GLU H H 1 8.147 0.001 . 1 . . 16 . . 5 GLU H . 25372 3
28 . 1 1 5 5 GLU HA H 1 4.140 0.001 . 1 . . 610 . . 5 GLU HA . 25372 3
29 . 1 1 5 5 GLU HB2 H 1 2.007 0.0 . 2 . . 612 . . 5 GLU HB2 . 25372 3
30 . 1 1 5 5 GLU HB3 H 1 1.840 0.001 . 2 . . 613 . . 5 GLU HB3 . 25372 3
31 . 1 1 5 5 GLU HG2 H 1 2.164 0.001 . 2 . . 611 . . 5 GLU HG2 . 25372 3
32 . 1 1 5 5 GLU HG3 H 1 2.164 . . 2 . . 951 . . 5 GLU HG3 . 25372 3
33 . 1 1 5 5 GLU N N 15 119.520 0.0 . 1 . . 15 . . 5 GLU N . 25372 3
34 . 1 1 6 6 THR H H 1 7.508 0.001 . 1 . . 80 . . 6 THR H . 25372 3
35 . 1 1 6 6 THR HA H 1 4.180 0.0 . 1 . . 717 . . 6 THR HA . 25372 3
36 . 1 1 6 6 THR HB H 1 4.226 0.001 . 1 . . 945 . . 6 THR HB . 25372 3
37 . 1 1 6 6 THR HG21 H 1 1.091 0.0 . 1 . . 576 . . 6 THR HG21 . 25372 3
38 . 1 1 6 6 THR HG22 H 1 1.091 0.0 . 1 . . 576 . . 6 THR HG22 . 25372 3
39 . 1 1 6 6 THR HG23 H 1 1.091 0.0 . 1 . . 576 . . 6 THR HG23 . 25372 3
40 . 1 1 6 6 THR N N 15 109.355 0.0 . 1 . . 79 . . 6 THR N . 25372 3
41 . 1 1 7 7 ILE H H 1 7.385 0.001 . 1 . . 150 . . 7 ILE H . 25372 3
42 . 1 1 7 7 ILE HA H 1 4.056 0.0 . 1 . . 780 . . 7 ILE HA . 25372 3
43 . 1 1 7 7 ILE HB H 1 1.666 0.0 . 1 . . 781 . . 7 ILE HB . 25372 3
44 . 1 1 7 7 ILE HG12 H 1 1.399 0.002 . 2 . . 782 . . 7 ILE HG12 . 25372 3
45 . 1 1 7 7 ILE HG13 H 1 0.838 . . 2 . . 931 . . 7 ILE HG13 . 25372 3
46 . 1 1 7 7 ILE HD11 H 1 0.655 0.0 . 1 . . 778 . . 7 ILE HD11 . 25372 3
47 . 1 1 7 7 ILE HD12 H 1 0.655 0.0 . 1 . . 778 . . 7 ILE HD12 . 25372 3
48 . 1 1 7 7 ILE HD13 H 1 0.655 0.0 . 1 . . 778 . . 7 ILE HD13 . 25372 3
49 . 1 1 7 7 ILE N N 15 125.253 0.0 . 1 . . 149 . . 7 ILE N . 25372 3
50 . 1 1 8 8 PRO HA H 1 4.331 0.001 . 1 . . 648 . . 8 PRO HA . 25372 3
51 . 1 1 8 8 PRO HB2 H 1 2.236 . . 2 . . 649 . . 8 PRO HB2 . 25372 3
52 . 1 1 8 8 PRO HB3 H 1 1.494 0.0 . 2 . . 890 . . 8 PRO HB3 . 25372 3
53 . 1 1 8 8 PRO HG2 H 1 1.714 0.0 . 2 . . 650 . . 8 PRO HG2 . 25372 3
54 . 1 1 8 8 PRO HG3 H 1 1.714 . . 2 . . 901 . . 8 PRO HG3 . 25372 3
55 . 1 1 8 8 PRO HD2 H 1 3.981 . . 2 . . 651 . . 8 PRO HD2 . 25372 3
56 . 1 1 8 8 PRO HD3 H 1 3.573 0.001 . 2 . . 718 . . 8 PRO HD3 . 25372 3
57 . 1 1 9 9 MET H H 1 8.840 0.001 . 1 . . 154 . . 9 MET H . 25372 3
58 . 1 1 9 9 MET HA H 1 3.974 0.001 . 1 . . 906 . . 9 MET HA . 25372 3
59 . 1 1 9 9 MET HB2 H 1 1.951 . . 2 . . 904 . . 9 MET HB2 . 25372 3
60 . 1 1 9 9 MET HB3 H 1 1.917 . . 2 . . 907 . . 9 MET HB3 . 25372 3
61 . 1 1 9 9 MET HG2 H 1 2.521 0.001 . 2 . . 902 . . 9 MET HG2 . 25372 3
62 . 1 1 9 9 MET HG3 H 1 2.438 . . 2 . . 903 . . 9 MET HG3 . 25372 3
63 . 1 1 9 9 MET N N 15 124.278 0.0 . 1 . . 153 . . 9 MET N . 25372 3
64 . 1 1 10 10 HIS HA H 1 4.246 0.001 . 1 . . 509 . . 10 HIS HA . 25372 3
65 . 1 1 10 10 HIS HB2 H 1 2.921 0.001 . 2 . . 510 . . 10 HIS HB2 . 25372 3
66 . 1 1 10 10 HIS HB3 H 1 3.078 0.001 . 2 . . 719 . . 10 HIS HB3 . 25372 3
67 . 1 1 11 11 GLN H H 1 6.840 0.0 . 1 . . 68 . . 11 GLN H . 25372 3
68 . 1 1 11 11 GLN HA H 1 3.974 0.001 . 1 . . 546 . . 11 GLN HA . 25372 3
69 . 1 1 11 11 GLN HB2 H 1 1.885 0.0 . 2 . . 900 . . 11 GLN HB2 . 25372 3
70 . 1 1 11 11 GLN HB3 H 1 1.954 0.0 . 2 . . 932 . . 11 GLN HB3 . 25372 3
71 . 1 1 11 11 GLN HG2 H 1 2.244 0.002 . 2 . . 547 . . 11 GLN HG2 . 25372 3
72 . 1 1 11 11 GLN HG3 H 1 2.187 0.0 . 2 . . 548 . . 11 GLN HG3 . 25372 3
73 . 1 1 11 11 GLN N N 15 120.680 0.0 . 1 . . 67 . . 11 GLN N . 25372 3
74 . 1 1 12 12 ARG H H 1 7.120 0.001 . 1 . . 70 . . 12 ARG H . 25372 3
75 . 1 1 12 12 ARG HA H 1 3.977 . . 1 . . 511 . . 12 ARG HA . 25372 3
76 . 1 1 12 12 ARG HB2 H 1 1.817 0.001 . 2 . . 722 . . 12 ARG HB2 . 25372 3
77 . 1 1 12 12 ARG HB3 H 1 1.723 0.002 . 2 . . 723 . . 12 ARG HB3 . 25372 3
78 . 1 1 12 12 ARG HG2 H 1 1.217 0.002 . 2 . . 513 . . 12 ARG HG2 . 25372 3
79 . 1 1 12 12 ARG HG3 H 1 1.485 0.001 . 2 . . 720 . . 12 ARG HG3 . 25372 3
80 . 1 1 12 12 ARG HD2 H 1 2.514 0.001 . 2 . . 512 . . 12 ARG HD2 . 25372 3
81 . 1 1 12 12 ARG HD3 H 1 2.143 . . 2 . . 721 . . 12 ARG HD3 . 25372 3
82 . 1 1 12 12 ARG N N 15 119.535 0.0 . 1 . . 69 . . 12 ARG N . 25372 3
83 . 1 1 13 13 SER H H 1 8.464 0.001 . 1 . . 122 . . 13 SER H . 25372 3
84 . 1 1 13 13 SER HA H 1 3.975 0.004 . 1 . . 930 . . 13 SER HA . 25372 3
85 . 1 1 13 13 SER HB2 H 1 3.750 0.0 . 2 . . 556 . . 13 SER HB2 . 25372 3
86 . 1 1 13 13 SER HB3 H 1 3.750 . . 2 . . 952 . . 13 SER HB3 . 25372 3
87 . 1 1 13 13 SER N N 15 113.290 0.0 . 1 . . 121 . . 13 SER N . 25372 3
88 . 1 1 14 14 GLN H H 1 7.857 0.001 . 1 . . 110 . . 14 GLN H . 25372 3
89 . 1 1 14 14 GLN HA H 1 3.984 0.0 . 1 . . 933 . . 14 GLN HA . 25372 3
90 . 1 1 14 14 GLN HB2 H 1 1.996 . . 2 . . 934 . . 14 GLN HB2 . 25372 3
91 . 1 1 14 14 GLN HB3 H 1 2.104 0.0 . 2 . . 935 . . 14 GLN HB3 . 25372 3
92 . 1 1 14 14 GLN HG2 H 1 2.237 . . 2 . . 936 . . 14 GLN HG2 . 25372 3
93 . 1 1 14 14 GLN HG3 H 1 2.295 0.0 . 2 . . 937 . . 14 GLN HG3 . 25372 3
94 . 1 1 14 14 GLN N N 15 123.956 0.0 . 1 . . 109 . . 14 GLN N . 25372 3
95 . 1 1 15 15 ASN HA H 1 4.407 0.001 . 1 . . 892 . . 15 ASN HA . 25372 3
96 . 1 1 15 15 ASN HB2 H 1 2.703 . . 2 . . 893 . . 15 ASN HB2 . 25372 3
97 . 1 1 15 15 ASN HB3 H 1 3.203 0.001 . 2 . . 923 . . 15 ASN HB3 . 25372 3
98 . 1 1 16 16 VAL H H 1 7.854 0.001 . 1 . . 136 . . 16 VAL H . 25372 3
99 . 1 1 16 16 VAL HA H 1 3.225 0.002 . 1 . . 844 . . 16 VAL HA . 25372 3
100 . 1 1 16 16 VAL HB H 1 2.065 0.001 . 1 . . 843 . . 16 VAL HB . 25372 3
101 . 1 1 16 16 VAL HG11 H 1 0.741 . . 1 . . 840 . . 16 VAL HG11 . 25372 3
102 . 1 1 16 16 VAL HG12 H 1 0.741 . . 1 . . 840 . . 16 VAL HG12 . 25372 3
103 . 1 1 16 16 VAL HG13 H 1 0.741 . . 1 . . 840 . . 16 VAL HG13 . 25372 3
104 . 1 1 16 16 VAL HG21 H 1 1.019 0.001 . 1 . . 841 . . 16 VAL HG21 . 25372 3
105 . 1 1 16 16 VAL HG22 H 1 1.019 0.001 . 1 . . 841 . . 16 VAL HG22 . 25372 3
106 . 1 1 16 16 VAL HG23 H 1 1.019 0.001 . 1 . . 841 . . 16 VAL HG23 . 25372 3
107 . 1 1 16 16 VAL N N 15 119.582 0.003 . 1 . . 135 . . 16 VAL N . 25372 3
108 . 1 1 17 17 ALA H H 1 7.848 0.001 . 1 . . 839 . . 17 ALA H . 25372 3
109 . 1 1 17 17 ALA HA H 1 3.915 0.0 . 1 . . 545 . . 17 ALA HA . 25372 3
110 . 1 1 17 17 ALA HB1 H 1 1.356 0.002 . 1 . . 544 . . 17 ALA HB1 . 25372 3
111 . 1 1 17 17 ALA HB2 H 1 1.356 0.002 . 1 . . 544 . . 17 ALA HB2 . 25372 3
112 . 1 1 17 17 ALA HB3 H 1 1.356 0.002 . 1 . . 544 . . 17 ALA HB3 . 25372 3
113 . 1 1 17 17 ALA N N 15 120.661 0.0 . 1 . . 838 . . 17 ALA N . 25372 3
114 . 1 1 18 18 GLU H H 1 8.428 0.0 . 1 . . 146 . . 18 GLU H . 25372 3
115 . 1 1 18 18 GLU HA H 1 3.917 0.0 . 1 . . 939 . . 18 GLU HA . 25372 3
116 . 1 1 18 18 GLU HB2 H 1 2.042 0.001 . 2 . . 850 . . 18 GLU HB2 . 25372 3
117 . 1 1 18 18 GLU HB3 H 1 1.906 0.001 . 2 . . 851 . . 18 GLU HB3 . 25372 3
118 . 1 1 18 18 GLU HG2 H 1 2.336 0.002 . 2 . . 848 . . 18 GLU HG2 . 25372 3
119 . 1 1 18 18 GLU HG3 H 1 2.117 . . 2 . . 849 . . 18 GLU HG3 . 25372 3
120 . 1 1 18 18 GLU N N 15 120.287 0.0 . 1 . . 145 . . 18 GLU N . 25372 3
121 . 1 1 19 19 LEU H H 1 7.942 0.0 . 1 . . 120 . . 19 LEU H . 25372 3
122 . 1 1 19 19 LEU HA H 1 3.853 0.0 . 1 . . 657 . . 19 LEU HA . 25372 3
123 . 1 1 19 19 LEU HB2 H 1 1.679 0.0 . 2 . . 658 . . 19 LEU HB2 . 25372 3
124 . 1 1 19 19 LEU HB3 H 1 1.468 . . 2 . . 659 . . 19 LEU HB3 . 25372 3
125 . 1 1 19 19 LEU HD21 H 1 0.641 0.0 . 1 . . 660 . . 19 LEU HD21 . 25372 3
126 . 1 1 19 19 LEU HD22 H 1 0.641 0.0 . 1 . . 660 . . 19 LEU HD22 . 25372 3
127 . 1 1 19 19 LEU HD23 H 1 0.641 0.0 . 1 . . 660 . . 19 LEU HD23 . 25372 3
128 . 1 1 19 19 LEU N N 15 120.490 0.0 . 1 . . 119 . . 19 LEU N . 25372 3
129 . 1 1 20 20 LEU H H 1 8.874 0.001 . 1 . . 52 . . 20 LEU H . 25372 3
130 . 1 1 20 20 LEU HA H 1 3.775 0.001 . 1 . . 540 . . 20 LEU HA . 25372 3
131 . 1 1 20 20 LEU HB2 H 1 1.275 0.000 . 2 . . 541 . . 20 LEU HB2 . 25372 3
132 . 1 1 20 20 LEU HB3 H 1 1.840 0.011 . 2 . . 725 . . 20 LEU HB3 . 25372 3
133 . 1 1 20 20 LEU HG H 1 1.473 . . 1 . . 542 . . 20 LEU HG . 25372 3
134 . 1 1 20 20 LEU HD11 H 1 0.729 0.0 . 1 . . 896 . . 20 LEU HD11 . 25372 3
135 . 1 1 20 20 LEU HD12 H 1 0.729 0.0 . 1 . . 896 . . 20 LEU HD12 . 25372 3
136 . 1 1 20 20 LEU HD13 H 1 0.729 0.0 . 1 . . 896 . . 20 LEU HD13 . 25372 3
137 . 1 1 20 20 LEU HD21 H 1 0.784 0.0 . 1 . . 543 . . 20 LEU HD21 . 25372 3
138 . 1 1 20 20 LEU HD22 H 1 0.784 0.0 . 1 . . 543 . . 20 LEU HD22 . 25372 3
139 . 1 1 20 20 LEU HD23 H 1 0.784 0.0 . 1 . . 543 . . 20 LEU HD23 . 25372 3
140 . 1 1 20 20 LEU N N 15 119.420 . . 1 . . 51 . . 20 LEU N . 25372 3
141 . 1 1 21 21 THR H H 1 8.061 0.0 . 1 . . 94 . . 21 THR H . 25372 3
142 . 1 1 21 21 THR HA H 1 3.720 0.001 . 1 . . 503 . . 21 THR HA . 25372 3
143 . 1 1 21 21 THR HB H 1 4.139 0.001 . 1 . . 728 . . 21 THR HB . 25372 3
144 . 1 1 21 21 THR HG21 H 1 1.135 0.002 . 1 . . 504 . . 21 THR HG21 . 25372 3
145 . 1 1 21 21 THR HG22 H 1 1.135 0.002 . 1 . . 504 . . 21 THR HG22 . 25372 3
146 . 1 1 21 21 THR HG23 H 1 1.135 0.002 . 1 . . 504 . . 21 THR HG23 . 25372 3
147 . 1 1 21 21 THR N N 15 114.368 0.0 . 1 . . 93 . . 21 THR N . 25372 3
148 . 1 1 22 22 VAL H H 1 7.191 0.001 . 1 . . 96 . . 22 VAL H . 25372 3
149 . 1 1 22 22 VAL HA H 1 3.770 0.001 . 1 . . 691 . . 22 VAL HA . 25372 3
150 . 1 1 22 22 VAL HB H 1 2.029 0.002 . 1 . . 690 . . 22 VAL HB . 25372 3
151 . 1 1 22 22 VAL HG11 H 1 0.807 0.001 . 1 . . 688 . . 22 VAL HG11 . 25372 3
152 . 1 1 22 22 VAL HG12 H 1 0.807 0.001 . 1 . . 688 . . 22 VAL HG12 . 25372 3
153 . 1 1 22 22 VAL HG13 H 1 0.807 0.001 . 1 . . 688 . . 22 VAL HG13 . 25372 3
154 . 1 1 22 22 VAL HG21 H 1 0.943 0.001 . 1 . . 689 . . 22 VAL HG21 . 25372 3
155 . 1 1 22 22 VAL HG22 H 1 0.943 0.001 . 1 . . 689 . . 22 VAL HG22 . 25372 3
156 . 1 1 22 22 VAL HG23 H 1 0.943 0.001 . 1 . . 689 . . 22 VAL HG23 . 25372 3
157 . 1 1 22 22 VAL N N 15 120.224 0.0 . 1 . . 95 . . 22 VAL N . 25372 3
158 . 1 1 23 23 LEU H H 1 8.271 0.0 . 1 . . 132 . . 23 LEU H . 25372 3
159 . 1 1 23 23 LEU HA H 1 3.815 0.001 . 1 . . 624 . . 23 LEU HA . 25372 3
160 . 1 1 23 23 LEU HB2 H 1 1.865 . . 2 . . 625 . . 23 LEU HB2 . 25372 3
161 . 1 1 23 23 LEU HB3 H 1 1.504 0.002 . 2 . . 729 . . 23 LEU HB3 . 25372 3
162 . 1 1 23 23 LEU HG H 1 1.699 0.001 . 1 . . 898 . . 23 LEU HG . 25372 3
163 . 1 1 23 23 LEU HD21 H 1 0.718 0.0 . 1 . . 626 . . 23 LEU HD21 . 25372 3
164 . 1 1 23 23 LEU HD22 H 1 0.718 0.0 . 1 . . 626 . . 23 LEU HD22 . 25372 3
165 . 1 1 23 23 LEU HD23 H 1 0.718 0.0 . 1 . . 626 . . 23 LEU HD23 . 25372 3
166 . 1 1 23 23 LEU N N 15 120.405 0.0 . 1 . . 131 . . 23 LEU N . 25372 3
167 . 1 1 24 24 MET H H 1 8.755 0.0 . 1 . . 32 . . 24 MET H . 25372 3
168 . 1 1 24 24 MET HA H 1 4.086 0.001 . 1 . . 681 . . 24 MET HA . 25372 3
169 . 1 1 24 24 MET HB2 H 1 1.918 . . 2 . . 730 . . 24 MET HB2 . 25372 3
170 . 1 1 24 24 MET HB3 H 1 2.154 0.0 . 2 . . 731 . . 24 MET HB3 . 25372 3
171 . 1 1 24 24 MET HG2 H 1 2.639 0.001 . 2 . . 682 . . 24 MET HG2 . 25372 3
172 . 1 1 24 24 MET HG3 H 1 2.464 0.002 . 2 . . 683 . . 24 MET HG3 . 25372 3
173 . 1 1 24 24 MET N N 15 118.473 0.007 . 1 . . 31 . . 24 MET N . 25372 3
174 . 1 1 25 25 ASP H H 1 7.815 0.008 . 1 . . 104 . . 25 ASP H . 25372 3
175 . 1 1 25 25 ASP HA H 1 4.373 0.0 . 1 . . 627 . . 25 ASP HA . 25372 3
176 . 1 1 25 25 ASP HB2 H 1 2.854 0.001 . 2 . . 628 . . 25 ASP HB2 . 25372 3
177 . 1 1 25 25 ASP HB3 H 1 2.454 0.001 . 2 . . 629 . . 25 ASP HB3 . 25372 3
178 . 1 1 25 25 ASP N N 15 122.460 0.0 . 1 . . 103 . . 25 ASP N . 25372 3
179 . 1 1 26 26 ILE H H 1 8.113 0.001 . 1 . . 144 . . 26 ILE H . 25372 3
180 . 1 1 26 26 ILE HA H 1 3.408 0.001 . 1 . . 501 . . 26 ILE HA . 25372 3
181 . 1 1 26 26 ILE HB H 1 1.811 0.002 . 1 . . 733 . . 26 ILE HB . 25372 3
182 . 1 1 26 26 ILE HG12 H 1 1.683 0.0 . 2 . . 734 . . 26 ILE HG12 . 25372 3
183 . 1 1 26 26 ILE HG13 H 1 1.683 . . 2 . . 953 . . 26 ILE HG13 . 25372 3
184 . 1 1 26 26 ILE HG21 H 1 0.720 0.0 . 1 . . 502 . . 26 ILE HG21 . 25372 3
185 . 1 1 26 26 ILE HG22 H 1 0.720 0.0 . 1 . . 502 . . 26 ILE HG22 . 25372 3
186 . 1 1 26 26 ILE HG23 H 1 0.720 0.0 . 1 . . 502 . . 26 ILE HG23 . 25372 3
187 . 1 1 26 26 ILE HD11 H 1 0.683 0.053 . 1 . . 917 . . 26 ILE HD11 . 25372 3
188 . 1 1 26 26 ILE HD12 H 1 0.683 0.053 . 1 . . 917 . . 26 ILE HD12 . 25372 3
189 . 1 1 26 26 ILE HD13 H 1 0.683 0.053 . 1 . . 917 . . 26 ILE HD13 . 25372 3
190 . 1 1 26 26 ILE N N 15 120.036 0.0 . 1 . . 143 . . 26 ILE N . 25372 3
191 . 1 1 27 27 ASN H H 1 8.107 0.001 . 1 . . 34 . . 27 ASN H . 25372 3
192 . 1 1 27 27 ASN HA H 1 4.271 0.001 . 1 . . 470 . . 27 ASN HA . 25372 3
193 . 1 1 27 27 ASN HB2 H 1 2.786 0.001 . 2 . . 471 . . 27 ASN HB2 . 25372 3
194 . 1 1 27 27 ASN HB3 H 1 2.584 0.002 . 2 . . 472 . . 27 ASN HB3 . 25372 3
195 . 1 1 27 27 ASN N N 15 117.673 0.0 . 1 . . 33 . . 27 ASN N . 25372 3
196 . 1 1 28 28 LYS H H 1 7.780 0.001 . 1 . . 38 . . 28 LYS H . 25372 3
197 . 1 1 28 28 LYS HA H 1 3.937 0.001 . 1 . . 466 . . 28 LYS HA . 25372 3
198 . 1 1 28 28 LYS HB2 H 1 1.895 0.0 . 2 . . 468 . . 28 LYS HB2 . 25372 3
199 . 1 1 28 28 LYS HB3 H 1 1.845 0.003 . 2 . . 469 . . 28 LYS HB3 . 25372 3
200 . 1 1 28 28 LYS HG2 H 1 1.392 0.001 . 2 . . 464 . . 28 LYS HG2 . 25372 3
201 . 1 1 28 28 LYS HG3 H 1 1.279 0.001 . 2 . . 465 . . 28 LYS HG3 . 25372 3
202 . 1 1 28 28 LYS HD2 H 1 1.575 0.002 . 2 . . 463 . . 28 LYS HD2 . 25372 3
203 . 1 1 28 28 LYS HD3 H 1 1.576 . . 2 . . 956 . . 28 LYS HD3 . 25372 3
204 . 1 1 28 28 LYS HE2 H 1 2.836 . . 2 . . 467 . . 28 LYS HE2 . 25372 3
205 . 1 1 28 28 LYS HE3 H 1 2.836 . . 2 . . 955 . . 28 LYS HE3 . 25372 3
206 . 1 1 28 28 LYS N N 15 118.851 0.0 . 1 . . 37 . . 28 LYS N . 25372 3
207 . 1 1 29 29 ILE H H 1 7.971 0.0 . 1 . . 56 . . 29 ILE H . 25372 3
208 . 1 1 29 29 ILE HA H 1 3.672 0.001 . 1 . . 514 . . 29 ILE HA . 25372 3
209 . 1 1 29 29 ILE HB H 1 1.740 0.0 . 1 . . 515 . . 29 ILE HB . 25372 3
210 . 1 1 29 29 ILE HG12 H 1 1.562 0.001 . 2 . . 736 . . 29 ILE HG12 . 25372 3
211 . 1 1 29 29 ILE HG13 H 1 0.960 0.001 . 2 . . 737 . . 29 ILE HG13 . 25372 3
212 . 1 1 29 29 ILE HG21 H 1 0.721 0.0 . 1 . . 517 . . 29 ILE HG21 . 25372 3
213 . 1 1 29 29 ILE HG22 H 1 0.721 0.0 . 1 . . 517 . . 29 ILE HG22 . 25372 3
214 . 1 1 29 29 ILE HG23 H 1 0.721 0.0 . 1 . . 517 . . 29 ILE HG23 . 25372 3
215 . 1 1 29 29 ILE HD11 H 1 0.659 0.001 . 1 . . 516 . . 29 ILE HD11 . 25372 3
216 . 1 1 29 29 ILE HD12 H 1 0.659 0.001 . 1 . . 516 . . 29 ILE HD12 . 25372 3
217 . 1 1 29 29 ILE HD13 H 1 0.659 0.001 . 1 . . 516 . . 29 ILE HD13 . 25372 3
218 . 1 1 29 29 ILE N N 15 121.801 0.0 . 1 . . 55 . . 29 ILE N . 25372 3
219 . 1 1 30 30 ASN H H 1 7.999 0.001 . 1 . . 72 . . 30 ASN H . 25372 3
220 . 1 1 30 30 ASN HA H 1 4.523 0.0 . 1 . . 557 . . 30 ASN HA . 25372 3
221 . 1 1 30 30 ASN HB2 H 1 2.797 0.005 . 2 . . 558 . . 30 ASN HB2 . 25372 3
222 . 1 1 30 30 ASN HB3 H 1 2.693 0.002 . 2 . . 559 . . 30 ASN HB3 . 25372 3
223 . 1 1 30 30 ASN N N 15 117.763 0.0 . 1 . . 71 . . 30 ASN N . 25372 3
224 . 1 1 31 31 GLY H H 1 7.848 0.001 . 1 . . 6 . . 31 GLY H . 25372 3
225 . 1 1 31 31 GLY HA2 H 1 3.945 0.016 . 2 . . 590 . . 31 GLY HA2 . 25372 3
226 . 1 1 31 31 GLY HA3 H 1 3.707 . . 2 . . 591 . . 31 GLY HA3 . 25372 3
227 . 1 1 31 31 GLY N N 15 109.207 0.0 . 1 . . 5 . . 31 GLY N . 25372 3
228 . 1 1 32 32 GLY H H 1 8.298 0.0 . 1 . . 4 . . 32 GLY H . 25372 3
229 . 1 1 32 32 GLY HA2 H 1 3.852 0.002 . 2 . . 497 . . 32 GLY HA2 . 25372 3
230 . 1 1 32 32 GLY HA3 H 1 3.729 0.003 . 2 . . 498 . . 32 GLY HA3 . 25372 3
231 . 1 1 32 32 GLY N N 15 108.057 0.0 . 1 . . 3 . . 32 GLY N . 25372 3
232 . 1 1 33 33 ASP H H 1 8.151 0.001 . 1 . . 102 . . 33 ASP H . 25372 3
233 . 1 1 33 33 ASP HA H 1 4.623 0.002 . 1 . . 670 . . 33 ASP HA . 25372 3
234 . 1 1 33 33 ASP HB2 H 1 2.882 0.001 . 2 . . 671 . . 33 ASP HB2 . 25372 3
235 . 1 1 33 33 ASP HB3 H 1 2.664 0.001 . 2 . . 672 . . 33 ASP HB3 . 25372 3
236 . 1 1 33 33 ASP N N 15 120.233 0.0 . 1 . . 101 . . 33 ASP N . 25372 3
237 . 1 1 34 34 SER H H 1 8.435 0.001 . 1 . . 46 . . 34 SER H . 25372 3
238 . 1 1 34 34 SER HA H 1 4.145 0.001 . 1 . . 577 . . 34 SER HA . 25372 3
239 . 1 1 34 34 SER HB2 H 1 3.858 0.0 . 2 . . 578 . . 34 SER HB2 . 25372 3
240 . 1 1 34 34 SER HB3 H 1 3.799 0.0 . 2 . . 579 . . 34 SER HB3 . 25372 3
241 . 1 1 34 34 SER N N 15 116.098 0.0 . 1 . . 45 . . 34 SER N . 25372 3
242 . 1 1 35 35 THR H H 1 8.225 0.0 . 1 . . 24 . . 35 THR H . 25372 3
243 . 1 1 35 35 THR HA H 1 4.089 0.001 . 1 . . 608 . . 35 THR HA . 25372 3
244 . 1 1 35 35 THR HB H 1 4.155 0.002 . 1 . . 738 . . 35 THR HB . 25372 3
245 . 1 1 35 35 THR HG21 H 1 1.105 0.003 . 1 . . 609 . . 35 THR HG21 . 25372 3
246 . 1 1 35 35 THR HG22 H 1 1.105 0.003 . 1 . . 609 . . 35 THR HG22 . 25372 3
247 . 1 1 35 35 THR HG23 H 1 1.105 0.003 . 1 . . 609 . . 35 THR HG23 . 25372 3
248 . 1 1 35 35 THR N N 15 119.074 0.0 . 1 . . 23 . . 35 THR N . 25372 3
249 . 1 1 36 36 THR H H 1 8.002 0.0 . 1 . . 100 . . 36 THR H . 25372 3
250 . 1 1 36 36 THR HA H 1 3.989 0.0 . 1 . . 630 . . 36 THR HA . 25372 3
251 . 1 1 36 36 THR HB H 1 4.251 0.001 . 1 . . 739 . . 36 THR HB . 25372 3
252 . 1 1 36 36 THR HG21 H 1 1.119 0.002 . 1 . . 631 . . 36 THR HG21 . 25372 3
253 . 1 1 36 36 THR HG22 H 1 1.119 0.002 . 1 . . 631 . . 36 THR HG22 . 25372 3
254 . 1 1 36 36 THR HG23 H 1 1.119 0.002 . 1 . . 631 . . 36 THR HG23 . 25372 3
255 . 1 1 36 36 THR N N 15 116.971 0.0 . 1 . . 99 . . 36 THR N . 25372 3
256 . 1 1 37 37 ALA H H 1 8.094 0.001 . 1 . . 142 . . 37 ALA H . 25372 3
257 . 1 1 37 37 ALA HA H 1 3.835 0.0 . 1 . . 549 . . 37 ALA HA . 25372 3
258 . 1 1 37 37 ALA HB1 H 1 1.358 0.001 . 1 . . 550 . . 37 ALA HB1 . 25372 3
259 . 1 1 37 37 ALA HB2 H 1 1.358 0.001 . 1 . . 550 . . 37 ALA HB2 . 25372 3
260 . 1 1 37 37 ALA HB3 H 1 1.358 0.001 . 1 . . 550 . . 37 ALA HB3 . 25372 3
261 . 1 1 37 37 ALA N N 15 124.516 0.0 . 1 . . 141 . . 37 ALA N . 25372 3
262 . 1 1 38 38 GLU H H 1 7.915 0.002 . 1 . . 98 . . 38 GLU H . 25372 3
263 . 1 1 38 38 GLU HA H 1 3.860 0.001 . 1 . . 566 . . 38 GLU HA . 25372 3
264 . 1 1 38 38 GLU HB2 H 1 2.000 0.003 . 2 . . 568 . . 38 GLU HB2 . 25372 3
265 . 1 1 38 38 GLU HB3 H 1 1.938 0.0 . 2 . . 742 . . 38 GLU HB3 . 25372 3
266 . 1 1 38 38 GLU HG2 H 1 2.235 0.002 . 2 . . 567 . . 38 GLU HG2 . 25372 3
267 . 1 1 38 38 GLU HG3 H 1 2.235 . . 2 . . 957 . . 38 GLU HG3 . 25372 3
268 . 1 1 38 38 GLU N N 15 117.359 0.0 . 1 . . 97 . . 38 GLU N . 25372 3
269 . 1 1 39 39 LYS H H 1 7.466 0.0 . 1 . . 8 . . 39 LYS H . 25372 3
270 . 1 1 39 39 LYS HA H 1 3.895 0.0 . 1 . . 853 . . 39 LYS HA . 25372 3
271 . 1 1 39 39 LYS HB2 H 1 1.836 0.001 . 2 . . 852 . . 39 LYS HB2 . 25372 3
272 . 1 1 39 39 LYS HB3 H 1 1.715 0.001 . 2 . . 854 . . 39 LYS HB3 . 25372 3
273 . 1 1 39 39 LYS HG2 H 1 1.438 0.002 . 2 . . 855 . . 39 LYS HG2 . 25372 3
274 . 1 1 39 39 LYS HG3 H 1 1.263 0.001 . 2 . . 912 . . 39 LYS HG3 . 25372 3
275 . 1 1 39 39 LYS HE2 H 1 2.798 . . 2 . . 913 . . 39 LYS HE2 . 25372 3
276 . 1 1 39 39 LYS HE3 H 1 2.798 . . 2 . . 978 . . 39 LYS HE3 . 25372 3
277 . 1 1 39 39 LYS N N 15 119.113 . . 1 . . 7 . . 39 LYS N . 25372 3
278 . 1 1 40 40 MET H H 1 8.001 0.0 . 1 . . 124 . . 40 MET H . 25372 3
279 . 1 1 40 40 MET HA H 1 4.136 0.001 . 1 . . 856 . . 40 MET HA . 25372 3
280 . 1 1 40 40 MET HB2 H 1 2.512 0.0 . 2 . . 857 . . 40 MET HB2 . 25372 3
281 . 1 1 40 40 MET HB3 H 1 2.482 0.0 . 2 . . 858 . . 40 MET HB3 . 25372 3
282 . 1 1 40 40 MET HG2 H 1 2.164 . . 2 . . 859 . . 40 MET HG2 . 25372 3
283 . 1 1 40 40 MET HG3 H 1 1.676 0.001 . 2 . . 860 . . 40 MET HG3 . 25372 3
284 . 1 1 40 40 MET N N 15 119.018 0.0 . 1 . . 123 . . 40 MET N . 25372 3
285 . 1 1 41 41 LYS H H 1 7.813 0.0 . 1 . . 22 . . 41 LYS H . 25372 3
286 . 1 1 41 41 LYS HA H 1 3.779 0.0 . 1 . . 869 . . 41 LYS HA . 25372 3
287 . 1 1 41 41 LYS HB2 H 1 1.838 0.003 . 2 . . 868 . . 41 LYS HB2 . 25372 3
288 . 1 1 41 41 LYS HB3 H 1 1.838 . . 2 . . 958 . . 41 LYS HB3 . 25372 3
289 . 1 1 41 41 LYS HG2 H 1 1.264 . . 2 . . 865 . . 41 LYS HG2 . 25372 3
290 . 1 1 41 41 LYS HG3 H 1 1.369 0.001 . 2 . . 866 . . 41 LYS HG3 . 25372 3
291 . 1 1 41 41 LYS HD2 H 1 1.543 0.002 . 2 . . 867 . . 41 LYS HD2 . 25372 3
292 . 1 1 41 41 LYS HD3 H 1 1.543 . . 2 . . 959 . . 41 LYS HD3 . 25372 3
293 . 1 1 41 41 LYS N N 15 120.587 0.0 . 1 . . 21 . . 41 LYS N . 25372 3
294 . 1 1 42 42 VAL H H 1 7.441 0.001 . 1 . . 138 . . 42 VAL H . 25372 3
295 . 1 1 42 42 VAL HA H 1 3.510 0.001 . 1 . . 863 . . 42 VAL HA . 25372 3
296 . 1 1 42 42 VAL HB H 1 2.009 0.001 . 1 . . 864 . . 42 VAL HB . 25372 3
297 . 1 1 42 42 VAL HG11 H 1 0.825 0.0 . 1 . . 784 . . 42 VAL HG11 . 25372 3
298 . 1 1 42 42 VAL HG12 H 1 0.825 0.0 . 1 . . 784 . . 42 VAL HG12 . 25372 3
299 . 1 1 42 42 VAL HG13 H 1 0.825 0.0 . 1 . . 784 . . 42 VAL HG13 . 25372 3
300 . 1 1 42 42 VAL HG21 H 1 0.955 0.001 . 1 . . 785 . . 42 VAL HG21 . 25372 3
301 . 1 1 42 42 VAL HG22 H 1 0.955 0.001 . 1 . . 785 . . 42 VAL HG22 . 25372 3
302 . 1 1 42 42 VAL HG23 H 1 0.955 0.001 . 1 . . 785 . . 42 VAL HG23 . 25372 3
303 . 1 1 42 42 VAL N N 15 118.972 0.001 . 1 . . 137 . . 42 VAL N . 25372 3
304 . 1 1 43 43 HIS H H 1 7.958 0.001 . 1 . . 862 . . 43 HIS H . 25372 3
305 . 1 1 43 43 HIS HA H 1 4.300 0.002 . 1 . . 507 . . 43 HIS HA . 25372 3
306 . 1 1 43 43 HIS HB2 H 1 3.091 0.0 . 2 . . 508 . . 43 HIS HB2 . 25372 3
307 . 1 1 43 43 HIS HB3 H 1 3.091 . . 2 . . 960 . . 43 HIS HB3 . 25372 3
308 . 1 1 43 43 HIS HD1 H 1 6.654 0.0 . 1 . . 888 . . 43 HIS HD1 . 25372 3
309 . 1 1 43 43 HIS N N 15 120.748 0.027 . 1 . . 861 . . 43 HIS N . 25372 3
310 . 1 1 44 44 ALA H H 1 8.483 0.0 . 1 . . 112 . . 44 ALA H . 25372 3
311 . 1 1 44 44 ALA HA H 1 3.780 0.001 . 1 . . 635 . . 44 ALA HA . 25372 3
312 . 1 1 44 44 ALA HB1 H 1 1.368 0.001 . 1 . . 636 . . 44 ALA HB1 . 25372 3
313 . 1 1 44 44 ALA HB2 H 1 1.368 0.001 . 1 . . 636 . . 44 ALA HB2 . 25372 3
314 . 1 1 44 44 ALA HB3 H 1 1.368 0.001 . 1 . . 636 . . 44 ALA HB3 . 25372 3
315 . 1 1 44 44 ALA N N 15 121.706 0.0 . 1 . . 111 . . 44 ALA N . 25372 3
316 . 1 1 45 45 LYS H H 1 7.849 0.001 . 1 . . 92 . . 45 LYS H . 25372 3
317 . 1 1 45 45 LYS HA H 1 3.955 0.001 . 1 . . 478 . . 45 LYS HA . 25372 3
318 . 1 1 45 45 LYS HB2 H 1 1.806 0.001 . 2 . . 480 . . 45 LYS HB2 . 25372 3
319 . 1 1 45 45 LYS HB3 H 1 1.806 . . 2 . . 961 . . 45 LYS HB3 . 25372 3
320 . 1 1 45 45 LYS HG2 H 1 1.320 . . 2 . . 482 . . 45 LYS HG2 . 25372 3
321 . 1 1 45 45 LYS HG3 H 1 1.320 . . 2 . . 963 . . 45 LYS HG3 . 25372 3
322 . 1 1 45 45 LYS HD2 H 1 1.536 0.002 . 2 . . 481 . . 45 LYS HD2 . 25372 3
323 . 1 1 45 45 LYS HD3 H 1 1.537 . . 2 . . 962 . . 45 LYS HD3 . 25372 3
324 . 1 1 45 45 LYS HE2 H 1 2.802 0.003 . 2 . . 479 . . 45 LYS HE2 . 25372 3
325 . 1 1 45 45 LYS HE3 H 1 2.802 . . 2 . . 743 . . 45 LYS HE3 . 25372 3
326 . 1 1 45 45 LYS N N 15 115.901 0.0 . 1 . . 91 . . 45 LYS N . 25372 3
327 . 1 1 46 46 SER H H 1 8.525 0.0 . 1 . . 134 . . 46 SER H . 25372 3
328 . 1 1 46 46 SER HA H 1 4.147 0.001 . 1 . . 637 . . 46 SER HA . 25372 3
329 . 1 1 46 46 SER HB2 H 1 3.913 0.001 . 2 . . 638 . . 46 SER HB2 . 25372 3
330 . 1 1 46 46 SER HB3 H 1 3.850 0.001 . 2 . . 639 . . 46 SER HB3 . 25372 3
331 . 1 1 46 46 SER N N 15 116.604 0.0 . 1 . . 133 . . 46 SER N . 25372 3
332 . 1 1 47 47 PHE H H 1 8.615 0.0 . 1 . . 30 . . 47 PHE H . 25372 3
333 . 1 1 47 47 PHE HA H 1 4.013 0.001 . 1 . . 789 . . 47 PHE HA . 25372 3
334 . 1 1 47 47 PHE HB2 H 1 2.911 0.001 . 2 . . 787 . . 47 PHE HB2 . 25372 3
335 . 1 1 47 47 PHE HB3 H 1 2.845 0.001 . 2 . . 788 . . 47 PHE HB3 . 25372 3
336 . 1 1 47 47 PHE HD1 H 1 6.943 0.0 . 1 . . 882 . . 47 PHE HD1 . 25372 3
337 . 1 1 47 47 PHE HD2 H 1 6.943 0.0 . 1 . . 882 . . 47 PHE HD2 . 25372 3
338 . 1 1 47 47 PHE HE1 H 1 7.198 0.001 . 1 . . 883 . . 47 PHE HE1 . 25372 3
339 . 1 1 47 47 PHE HE2 H 1 7.198 0.001 . 1 . . 883 . . 47 PHE HE2 . 25372 3
340 . 1 1 47 47 PHE N N 15 124.046 0.0 . 1 . . 29 . . 47 PHE N . 25372 3
341 . 1 1 48 48 GLU H H 1 7.783 0.001 . 1 . . 845 . . 48 GLU H . 25372 3
342 . 1 1 48 48 GLU HA H 1 3.610 0.0 . 1 . . 539 . . 48 GLU HA . 25372 3
343 . 1 1 48 48 GLU HB2 H 1 1.604 . . 2 . . 538 . . 48 GLU HB2 . 25372 3
344 . 1 1 48 48 GLU HB3 H 1 1.604 0.0 . 2 . . 873 . . 48 GLU HB3 . 25372 3
345 . 1 1 48 48 GLU HG2 H 1 2.265 0.001 . 2 . . 537 . . 48 GLU HG2 . 25372 3
346 . 1 1 48 48 GLU HG3 H 1 2.568 0.001 . 2 . . 872 . . 48 GLU HG3 . 25372 3
347 . 1 1 48 48 GLU N N 15 119.877 0.01 . 1 . . 846 . . 48 GLU N . 25372 3
348 . 1 1 49 49 ALA H H 1 7.925 0.001 . 1 . . 126 . . 49 ALA H . 25372 3
349 . 1 1 49 49 ALA HA H 1 3.698 0.001 . 1 . . 526 . . 49 ALA HA . 25372 3
350 . 1 1 49 49 ALA HB1 H 1 1.379 0.002 . 1 . . 527 . . 49 ALA HB1 . 25372 3
351 . 1 1 49 49 ALA HB2 H 1 1.379 0.002 . 1 . . 527 . . 49 ALA HB2 . 25372 3
352 . 1 1 49 49 ALA HB3 H 1 1.379 0.002 . 1 . . 527 . . 49 ALA HB3 . 25372 3
353 . 1 1 49 49 ALA N N 15 120.216 0.0 . 1 . . 125 . . 49 ALA N . 25372 3
354 . 1 1 50 50 ALA H H 1 7.854 0.001 . 1 . . 155 . . 50 ALA H . 25372 3
355 . 1 1 50 50 ALA HA H 1 4.031 . . 1 . . 476 . . 50 ALA HA . 25372 3
356 . 1 1 50 50 ALA HB1 H 1 1.259 0.001 . 1 . . 477 . . 50 ALA HB1 . 25372 3
357 . 1 1 50 50 ALA HB2 H 1 1.259 0.001 . 1 . . 477 . . 50 ALA HB2 . 25372 3
358 . 1 1 50 50 ALA HB3 H 1 1.259 0.001 . 1 . . 477 . . 50 ALA HB3 . 25372 3
359 . 1 1 50 50 ALA N N 15 120.831 0.0 . 1 . . 156 . . 50 ALA N . 25372 3
360 . 1 1 51 51 LEU H H 1 7.622 0.0 . 1 . . 84 . . 51 LEU H . 25372 3
361 . 1 1 51 51 LEU HA H 1 3.886 0.001 . 1 . . 569 . . 51 LEU HA . 25372 3
362 . 1 1 51 51 LEU HB2 H 1 1.549 0.001 . 2 . . 570 . . 51 LEU HB2 . 25372 3
363 . 1 1 51 51 LEU HB3 H 1 1.220 0.002 . 2 . . 572 . . 51 LEU HB3 . 25372 3
364 . 1 1 51 51 LEU HG H 1 1.465 0.001 . 1 . . 571 . . 51 LEU HG . 25372 3
365 . 1 1 51 51 LEU HD11 H 1 0.677 0.001 . 1 . . 573 . . 51 LEU HD11 . 25372 3
366 . 1 1 51 51 LEU HD12 H 1 0.677 0.001 . 1 . . 573 . . 51 LEU HD12 . 25372 3
367 . 1 1 51 51 LEU HD13 H 1 0.677 0.001 . 1 . . 573 . . 51 LEU HD13 . 25372 3
368 . 1 1 51 51 LEU HD21 H 1 0.633 0.001 . 1 . . 574 . . 51 LEU HD21 . 25372 3
369 . 1 1 51 51 LEU HD22 H 1 0.633 0.001 . 1 . . 574 . . 51 LEU HD22 . 25372 3
370 . 1 1 51 51 LEU HD23 H 1 0.633 0.001 . 1 . . 574 . . 51 LEU HD23 . 25372 3
371 . 1 1 51 51 LEU N N 15 119.849 0.0 . 1 . . 83 . . 51 LEU N . 25372 3
372 . 1 1 52 52 PHE H H 1 9.038 0.0 . 1 . . 26 . . 52 PHE H . 25372 3
373 . 1 1 52 52 PHE HA H 1 3.779 0.001 . 1 . . 645 . . 52 PHE HA . 25372 3
374 . 1 1 52 52 PHE HB2 H 1 3.119 0.0 . 2 . . 646 . . 52 PHE HB2 . 25372 3
375 . 1 1 52 52 PHE HB3 H 1 2.983 0.0 . 2 . . 647 . . 52 PHE HB3 . 25372 3
376 . 1 1 52 52 PHE HD1 H 1 6.460 0.002 . 1 . . 886 . . 52 PHE HD1 . 25372 3
377 . 1 1 52 52 PHE HD2 H 1 6.460 0.002 . 1 . . 886 . . 52 PHE HD2 . 25372 3
378 . 1 1 52 52 PHE HE1 H 1 6.954 0.0 . 1 . . 885 . . 52 PHE HE1 . 25372 3
379 . 1 1 52 52 PHE HE2 H 1 6.954 0.0 . 1 . . 885 . . 52 PHE HE2 . 25372 3
380 . 1 1 52 52 PHE N N 15 122.976 0.0 . 1 . . 25 . . 52 PHE N . 25372 3
381 . 1 1 53 53 GLU H H 1 8.099 0.001 . 1 . . 36 . . 53 GLU H . 25372 3
382 . 1 1 53 53 GLU HA H 1 3.651 0.028 . 1 . . 483 . . 53 GLU HA . 25372 3
383 . 1 1 53 53 GLU HB2 H 1 2.025 0.002 . 2 . . 485 . . 53 GLU HB2 . 25372 3
384 . 1 1 53 53 GLU HB3 H 1 1.955 0.002 . 2 . . 486 . . 53 GLU HB3 . 25372 3
385 . 1 1 53 53 GLU HG2 H 1 2.223 0.002 . 2 . . 484 . . 53 GLU HG2 . 25372 3
386 . 1 1 53 53 GLU HG3 H 1 2.255 0.001 . 2 . . 790 . . 53 GLU HG3 . 25372 3
387 . 1 1 53 53 GLU N N 15 117.896 0.0 . 1 . . 35 . . 53 GLU N . 25372 3
388 . 1 1 54 54 LYS H H 1 7.597 0.001 . 1 . . 50 . . 54 LYS H . 25372 3
389 . 1 1 54 54 LYS HA H 1 4.037 0.0 . 1 . . 580 . . 54 LYS HA . 25372 3
390 . 1 1 54 54 LYS HB2 H 1 1.745 0.001 . 2 . . 582 . . 54 LYS HB2 . 25372 3
391 . 1 1 54 54 LYS HB3 H 1 1.687 0.002 . 2 . . 583 . . 54 LYS HB3 . 25372 3
392 . 1 1 54 54 LYS HG2 H 1 1.454 0.001 . 2 . . 584 . . 54 LYS HG2 . 25372 3
393 . 1 1 54 54 LYS HG3 H 1 1.337 0.0 . 2 . . 585 . . 54 LYS HG3 . 25372 3
394 . 1 1 54 54 LYS HE2 H 1 2.776 . . 2 . . 581 . . 54 LYS HE2 . 25372 3
395 . 1 1 54 54 LYS HE3 H 1 2.776 . . 2 . . 964 . . 54 LYS HE3 . 25372 3
396 . 1 1 54 54 LYS N N 15 114.936 0.0 . 1 . . 49 . . 54 LYS N . 25372 3
397 . 1 1 55 55 SER H H 1 7.370 0.001 . 1 . . 106 . . 55 SER H . 25372 3
398 . 1 1 55 55 SER HA H 1 4.210 0.001 . 1 . . 655 . . 55 SER HA . 25372 3
399 . 1 1 55 55 SER HB2 H 1 3.727 0.001 . 2 . . 656 . . 55 SER HB2 . 25372 3
400 . 1 1 55 55 SER HB3 H 1 3.727 . . 2 . . 965 . . 55 SER HB3 . 25372 3
401 . 1 1 55 55 SER N N 15 116.124 0.0 . 1 . . 105 . . 55 SER N . 25372 3
402 . 1 1 56 56 SER H H 1 9.081 0.001 . 1 . . 118 . . 56 SER H . 25372 3
403 . 1 1 56 56 SER HA H 1 4.365 0.001 . 1 . . 499 . . 56 SER HA . 25372 3
404 . 1 1 56 56 SER HB2 H 1 3.819 0.001 . 2 . . 500 . . 56 SER HB2 . 25372 3
405 . 1 1 56 56 SER HB3 H 1 3.846 0.0 . 2 . . 791 . . 56 SER HB3 . 25372 3
406 . 1 1 56 56 SER N N 15 116.796 0.0 . 1 . . 117 . . 56 SER N . 25372 3
407 . 1 1 57 57 SER H H 1 7.334 0.0 . 1 . . 64 . . 57 SER H . 25372 3
408 . 1 1 57 57 SER HA H 1 4.571 0.001 . 1 . . 614 . . 57 SER HA . 25372 3
409 . 1 1 57 57 SER HB2 H 1 4.243 0.001 . 2 . . 615 . . 57 SER HB2 . 25372 3
410 . 1 1 57 57 SER HB3 H 1 3.924 0.0 . 2 . . 616 . . 57 SER HB3 . 25372 3
411 . 1 1 57 57 SER N N 15 111.976 . . 1 . . 63 . . 57 SER N . 25372 3
412 . 1 1 58 58 LYS H H 1 8.756 0.001 . 1 . . 2 . . 58 LYS H . 25372 3
413 . 1 1 58 58 LYS HA H 1 3.824 0.001 . 1 . . 604 . . 58 LYS HA . 25372 3
414 . 1 1 58 58 LYS HB2 H 1 1.531 . . 2 . . 606 . . 58 LYS HB2 . 25372 3
415 . 1 1 58 58 LYS HB3 H 1 1.564 0.001 . 2 . . 792 . . 58 LYS HB3 . 25372 3
416 . 1 1 58 58 LYS HG2 H 1 1.204 0.002 . 2 . . 607 . . 58 LYS HG2 . 25372 3
417 . 1 1 58 58 LYS HG3 H 1 1.204 . . 2 . . 924 . . 58 LYS HG3 . 25372 3
418 . 1 1 58 58 LYS HE2 H 1 2.806 0.001 . 2 . . 605 . . 58 LYS HE2 . 25372 3
419 . 1 1 58 58 LYS HE3 H 1 2.806 . . 2 . . 967 . . 58 LYS HE3 . 25372 3
420 . 1 1 58 58 LYS N N 15 122.534 0.003 . 1 . . 1 . . 58 LYS N . 25372 3
421 . 1 1 59 59 GLU H H 1 9.101 0.001 . 1 . . 82 . . 59 GLU H . 25372 3
422 . 1 1 59 59 GLU HA H 1 3.924 . . 1 . . 587 . . 59 GLU HA . 25372 3
423 . 1 1 59 59 GLU HB2 H 1 2.029 0.0 . 2 . . 874 . . 59 GLU HB2 . 25372 3
424 . 1 1 59 59 GLU HB3 H 1 1.772 0.0 . 2 . . 875 . . 59 GLU HB3 . 25372 3
425 . 1 1 59 59 GLU HG2 H 1 2.373 0.0 . 2 . . 588 . . 59 GLU HG2 . 25372 3
426 . 1 1 59 59 GLU HG3 H 1 2.129 . . 2 . . 589 . . 59 GLU HG3 . 25372 3
427 . 1 1 59 59 GLU N N 15 119.776 0.0 . 1 . . 81 . . 59 GLU N . 25372 3
428 . 1 1 60 60 GLU H H 1 7.988 0.001 . 1 . . 48 . . 60 GLU H . 25372 3
429 . 1 1 60 60 GLU HA H 1 3.925 0.001 . 1 . . 877 . . 60 GLU HA . 25372 3
430 . 1 1 60 60 GLU HB2 H 1 1.946 0.001 . 2 . . 876 . . 60 GLU HB2 . 25372 3
431 . 1 1 60 60 GLU HB3 H 1 1.946 . . 2 . . 966 . . 60 GLU HB3 . 25372 3
432 . 1 1 60 60 GLU HG2 H 1 2.091 0.001 . 2 . . 878 . . 60 GLU HG2 . 25372 3
433 . 1 1 60 60 GLU HG3 H 1 2.182 0.001 . 2 . . 879 . . 60 GLU HG3 . 25372 3
434 . 1 1 60 60 GLU N N 15 120.508 0.0 . 1 . . 47 . . 60 GLU N . 25372 3
435 . 1 1 61 61 TYR H H 1 7.760 0.001 . 1 . . 793 . . 61 TYR H . 25372 3
436 . 1 1 61 61 TYR HA H 1 3.927 0.0 . 1 . . 528 . . 61 TYR HA . 25372 3
437 . 1 1 61 61 TYR HB2 H 1 3.041 0.0 . 2 . . 529 . . 61 TYR HB2 . 25372 3
438 . 1 1 61 61 TYR HB3 H 1 2.978 0.0 . 2 . . 530 . . 61 TYR HB3 . 25372 3
439 . 1 1 61 61 TYR HD1 H 1 6.783 0.001 . 1 . . 887 . . 61 TYR HD1 . 25372 3
440 . 1 1 61 61 TYR HD2 H 1 6.783 0.001 . 1 . . 887 . . 61 TYR HD2 . 25372 3
441 . 1 1 61 61 TYR HE1 H 1 6.673 0.001 . 1 . . 940 . . 61 TYR HE1 . 25372 3
442 . 1 1 61 61 TYR HE2 H 1 6.673 0.001 . 1 . . 940 . . 61 TYR HE2 . 25372 3
443 . 1 1 61 61 TYR N N 15 121.345 0.001 . 1 . . 880 . . 61 TYR N . 25372 3
444 . 1 1 62 62 GLN H H 1 8.462 0.001 . 1 . . 18 . . 62 GLN H . 25372 3
445 . 1 1 62 62 GLN HA H 1 3.515 0.001 . 1 . . 640 . . 62 GLN HA . 25372 3
446 . 1 1 62 62 GLN HB2 H 1 2.124 0.0 . 2 . . 643 . . 62 GLN HB2 . 25372 3
447 . 1 1 62 62 GLN HB3 H 1 1.913 0.0 . 2 . . 644 . . 62 GLN HB3 . 25372 3
448 . 1 1 62 62 GLN HG2 H 1 2.561 0.0 . 2 . . 641 . . 62 GLN HG2 . 25372 3
449 . 1 1 62 62 GLN HG3 H 1 2.386 0.0 . 2 . . 642 . . 62 GLN HG3 . 25372 3
450 . 1 1 62 62 GLN N N 15 117.640 0.065 . 1 . . 17 . . 62 GLN N . 25372 3
451 . 1 1 63 63 LYS H H 1 8.221 0.001 . 1 . . 152 . . 63 LYS H . 25372 3
452 . 1 1 63 63 LYS HA H 1 3.917 0.0 . 1 . . 661 . . 63 LYS HA . 25372 3
453 . 1 1 63 63 LYS HB2 H 1 1.815 0.0 . 2 . . 663 . . 63 LYS HB2 . 25372 3
454 . 1 1 63 63 LYS HB3 H 1 1.739 0.001 . 2 . . 664 . . 63 LYS HB3 . 25372 3
455 . 1 1 63 63 LYS HG2 H 1 1.434 0.0 . 2 . . 666 . . 63 LYS HG2 . 25372 3
456 . 1 1 63 63 LYS HG3 H 1 1.291 0.001 . 2 . . 667 . . 63 LYS HG3 . 25372 3
457 . 1 1 63 63 LYS HD2 H 1 1.512 0.003 . 2 . . 665 . . 63 LYS HD2 . 25372 3
458 . 1 1 63 63 LYS HD3 H 1 1.512 . . 2 . . 969 . . 63 LYS HD3 . 25372 3
459 . 1 1 63 63 LYS HE2 H 1 2.792 0.001 . 2 . . 662 . . 63 LYS HE2 . 25372 3
460 . 1 1 63 63 LYS HE3 H 1 2.792 . . 2 . . 968 . . 63 LYS HE3 . 25372 3
461 . 1 1 63 63 LYS N N 15 119.538 0.016 . 1 . . 151 . . 63 LYS N . 25372 3
462 . 1 1 64 64 THR H H 1 8.164 0.001 . 1 . . 76 . . 64 THR H . 25372 3
463 . 1 1 64 64 THR HA H 1 3.862 0.0 . 1 . . 461 . . 64 THR HA . 25372 3
464 . 1 1 64 64 THR HB H 1 4.044 0.001 . 1 . . 745 . . 64 THR HB . 25372 3
465 . 1 1 64 64 THR HG21 H 1 1.172 0.001 . 1 . . 462 . . 64 THR HG21 . 25372 3
466 . 1 1 64 64 THR HG22 H 1 1.172 0.001 . 1 . . 462 . . 64 THR HG22 . 25372 3
467 . 1 1 64 64 THR HG23 H 1 1.172 0.001 . 1 . . 462 . . 64 THR HG23 . 25372 3
468 . 1 1 64 64 THR N N 15 116.886 0.0 . 1 . . 75 . . 64 THR N . 25372 3
469 . 1 1 65 65 MET H H 1 8.376 0.001 . 1 . . 116 . . 65 MET H . 25372 3
470 . 1 1 65 65 MET HA H 1 4.125 0.001 . 1 . . 473 . . 65 MET HA . 25372 3
471 . 1 1 65 65 MET HB2 H 1 1.682 0.0 . 2 . . 475 . . 65 MET HB2 . 25372 3
472 . 1 1 65 65 MET HB3 H 1 1.363 0.001 . 2 . . 938 . . 65 MET HB3 . 25372 3
473 . 1 1 65 65 MET HG2 H 1 2.392 0.002 . 2 . . 474 . . 65 MET HG2 . 25372 3
474 . 1 1 65 65 MET HG3 H 1 2.024 0.001 . 2 . . 908 . . 65 MET HG3 . 25372 3
475 . 1 1 65 65 MET N N 15 123.331 0.006 . 1 . . 115 . . 65 MET N . 25372 3
476 . 1 1 66 66 LYS H H 1 7.738 0.001 . 1 . . 130 . . 66 LYS H . 25372 3
477 . 1 1 66 66 LYS HA H 1 3.795 0.001 . 1 . . 551 . . 66 LYS HA . 25372 3
478 . 1 1 66 66 LYS HB2 H 1 1.740 0.0 . 2 . . 553 . . 66 LYS HB2 . 25372 3
479 . 1 1 66 66 LYS HB3 H 1 1.772 0.001 . 2 . . 746 . . 66 LYS HB3 . 25372 3
480 . 1 1 66 66 LYS HG2 H 1 1.275 0.001 . 2 . . 555 . . 66 LYS HG2 . 25372 3
481 . 1 1 66 66 LYS HG3 H 1 1.317 0.003 . 2 . . 795 . . 66 LYS HG3 . 25372 3
482 . 1 1 66 66 LYS HD2 H 1 1.479 . . 2 . . 554 . . 66 LYS HD2 . 25372 3
483 . 1 1 66 66 LYS HD3 H 1 1.573 0.0 . 2 . . 899 . . 66 LYS HD3 . 25372 3
484 . 1 1 66 66 LYS HE2 H 1 2.867 0.01 . 2 . . 552 . . 66 LYS HE2 . 25372 3
485 . 1 1 66 66 LYS HE3 H 1 2.731 . . 2 . . 794 . . 66 LYS HE3 . 25372 3
486 . 1 1 66 66 LYS N N 15 118.739 0.0 . 1 . . 129 . . 66 LYS N . 25372 3
487 . 1 1 67 67 SER H H 1 7.883 0.0 . 1 . . 28 . . 67 SER H . 25372 3
488 . 1 1 67 67 SER HA H 1 4.135 . . 1 . . 518 . . 67 SER HA . 25372 3
489 . 1 1 67 67 SER HB2 H 1 3.896 0.0 . 2 . . 519 . . 67 SER HB2 . 25372 3
490 . 1 1 67 67 SER HB3 H 1 3.861 0.001 . 2 . . 796 . . 67 SER HB3 . 25372 3
491 . 1 1 67 67 SER N N 15 113.100 0.0 . 1 . . 27 . . 67 SER N . 25372 3
492 . 1 1 68 68 LYS H H 1 7.930 0.008 . 1 . . 78 . . 68 LYS H . 25372 3
493 . 1 1 68 68 LYS HA H 1 4.078 0.0 . 1 . . 560 . . 68 LYS HA . 25372 3
494 . 1 1 68 68 LYS HB2 H 1 1.948 0.0 . 2 . . 561 . . 68 LYS HB2 . 25372 3
495 . 1 1 68 68 LYS HB3 H 1 1.836 0.004 . 2 . . 562 . . 68 LYS HB3 . 25372 3
496 . 1 1 68 68 LYS HG2 H 1 0.886 . . 2 . . 563 . . 68 LYS HG2 . 25372 3
497 . 1 1 68 68 LYS HG3 H 1 0.806 0.0 . 2 . . 564 . . 68 LYS HG3 . 25372 3
498 . 1 1 68 68 LYS HD2 H 1 1.250 . . 2 . . 565 . . 68 LYS HD2 . 25372 3
499 . 1 1 68 68 LYS HD3 H 1 1.510 . . 2 . . 747 . . 68 LYS HD3 . 25372 3
500 . 1 1 68 68 LYS N N 15 122.926 0.0 . 1 . . 77 . . 68 LYS N . 25372 3
501 . 1 1 69 69 ILE H H 1 8.068 0.0 . 1 . . 74 . . 69 ILE H . 25372 3
502 . 1 1 69 69 ILE HA H 1 3.300 0.001 . 1 . . 632 . . 69 ILE HA . 25372 3
503 . 1 1 69 69 ILE HB H 1 1.727 0.001 . 1 . . 633 . . 69 ILE HB . 25372 3
504 . 1 1 69 69 ILE HG12 H 1 1.679 . . 2 . . 748 . . 69 ILE HG12 . 25372 3
505 . 1 1 69 69 ILE HG13 H 1 1.676 0.001 . 2 . . 797 . . 69 ILE HG13 . 25372 3
506 . 1 1 69 69 ILE HG21 H 1 0.750 0.0 . 1 . . 634 . . 69 ILE HG21 . 25372 3
507 . 1 1 69 69 ILE HG22 H 1 0.750 0.0 . 1 . . 634 . . 69 ILE HG22 . 25372 3
508 . 1 1 69 69 ILE HG23 H 1 0.750 0.0 . 1 . . 634 . . 69 ILE HG23 . 25372 3
509 . 1 1 69 69 ILE HD11 H 1 0.560 0.0 . 1 . . 921 . . 69 ILE HD11 . 25372 3
510 . 1 1 69 69 ILE HD12 H 1 0.560 0.0 . 1 . . 921 . . 69 ILE HD12 . 25372 3
511 . 1 1 69 69 ILE HD13 H 1 0.560 0.0 . 1 . . 921 . . 69 ILE HD13 . 25372 3
512 . 1 1 69 69 ILE N N 15 120.655 0.0 . 1 . . 73 . . 69 ILE N . 25372 3
513 . 1 1 70 70 ASP H H 1 8.682 0.0 . 1 . . 40 . . 70 ASP H . 25372 3
514 . 1 1 70 70 ASP HA H 1 4.207 0.001 . 1 . . 494 . . 70 ASP HA . 25372 3
515 . 1 1 70 70 ASP HB2 H 1 2.636 0.002 . 2 . . 495 . . 70 ASP HB2 . 25372 3
516 . 1 1 70 70 ASP HB3 H 1 2.478 0.001 . 2 . . 496 . . 70 ASP HB3 . 25372 3
517 . 1 1 70 70 ASP N N 15 120.064 0.0 . 1 . . 39 . . 70 ASP N . 25372 3
518 . 1 1 71 71 ALA H H 1 8.072 0.0 . 1 . . 42 . . 71 ALA H . 25372 3
519 . 1 1 71 71 ALA HA H 1 4.060 0.001 . 1 . . 623 . . 71 ALA HA . 25372 3
520 . 1 1 71 71 ALA HB1 H 1 1.401 0.001 . 1 . . 622 . . 71 ALA HB1 . 25372 3
521 . 1 1 71 71 ALA HB2 H 1 1.401 0.001 . 1 . . 622 . . 71 ALA HB2 . 25372 3
522 . 1 1 71 71 ALA HB3 H 1 1.401 0.001 . 1 . . 622 . . 71 ALA HB3 . 25372 3
523 . 1 1 71 71 ALA N N 15 123.533 0.0 . 1 . . 41 . . 71 ALA N . 25372 3
524 . 1 1 72 72 MET H H 1 8.035 0.001 . 1 . . 62 . . 72 MET H . 25372 3
525 . 1 1 72 72 MET HA H 1 4.178 0.0 . 1 . . 673 . . 72 MET HA . 25372 3
526 . 1 1 72 72 MET HB2 H 1 2.060 0.001 . 2 . . 798 . . 72 MET HB2 . 25372 3
527 . 1 1 72 72 MET HB3 H 1 1.737 . . 2 . . 799 . . 72 MET HB3 . 25372 3
528 . 1 1 72 72 MET HG2 H 1 2.518 0.0 . 2 . . 674 . . 72 MET HG2 . 25372 3
529 . 1 1 72 72 MET HG3 H 1 2.359 0.001 . 2 . . 675 . . 72 MET HG3 . 25372 3
530 . 1 1 72 72 MET N N 15 118.693 0.009 . 1 . . 61 . . 72 MET N . 25372 3
531 . 1 1 73 73 ARG H H 1 8.684 0.001 . 1 . . 12 . . 73 ARG H . 25372 3
532 . 1 1 73 73 ARG HA H 1 3.630 0.001 . 1 . . 684 . . 73 ARG HA . 25372 3
533 . 1 1 73 73 ARG HB2 H 1 1.797 0.006 . 2 . . 686 . . 73 ARG HB2 . 25372 3
534 . 1 1 73 73 ARG HB3 H 1 1.846 0.002 . 2 . . 749 . . 73 ARG HB3 . 25372 3
535 . 1 1 73 73 ARG HG2 H 1 1.396 0.001 . 2 . . 687 . . 73 ARG HG2 . 25372 3
536 . 1 1 73 73 ARG HG3 H 1 1.397 . . 2 . . 971 . . 73 ARG HG3 . 25372 3
537 . 1 1 73 73 ARG HD2 H 1 3.090 0.003 . 2 . . 685 . . 73 ARG HD2 . 25372 3
538 . 1 1 73 73 ARG HD3 H 1 3.090 . . 2 . . 972 . . 73 ARG HD3 . 25372 3
539 . 1 1 73 73 ARG N N 15 121.414 0.017 . 1 . . 11 . . 73 ARG N . 25372 3
540 . 1 1 74 74 SER H H 1 7.939 0.001 . 1 . . 90 . . 74 SER H . 25372 3
541 . 1 1 74 74 SER HA H 1 4.158 0.001 . 1 . . 505 . . 74 SER HA . 25372 3
542 . 1 1 74 74 SER HB2 H 1 3.893 0.001 . 2 . . 506 . . 74 SER HB2 . 25372 3
543 . 1 1 74 74 SER HB3 H 1 3.893 . . 2 . . 970 . . 74 SER HB3 . 25372 3
544 . 1 1 74 74 SER N N 15 114.509 0.012 . 1 . . 89 . . 74 SER N . 25372 3
545 . 1 1 75 75 THR H H 1 7.903 0.001 . 1 . . 140 . . 75 THR H . 25372 3
546 . 1 1 75 75 THR HA H 1 3.824 0.0 . 1 . . 668 . . 75 THR HA . 25372 3
547 . 1 1 75 75 THR HB H 1 4.191 . . 1 . . 750 . . 75 THR HB . 25372 3
548 . 1 1 75 75 THR HG21 H 1 1.073 0.001 . 1 . . 669 . . 75 THR HG21 . 25372 3
549 . 1 1 75 75 THR HG22 H 1 1.073 0.001 . 1 . . 669 . . 75 THR HG22 . 25372 3
550 . 1 1 75 75 THR HG23 H 1 1.073 0.001 . 1 . . 669 . . 75 THR HG23 . 25372 3
551 . 1 1 75 75 THR N N 15 119.177 0.0 . 1 . . 139 . . 75 THR N . 25372 3
552 . 1 1 76 76 ARG H H 1 8.203 0.007 . 1 . . 108 . . 76 ARG H . 25372 3
553 . 1 1 76 76 ARG HA H 1 3.592 0.002 . 1 . . 617 . . 76 ARG HA . 25372 3
554 . 1 1 76 76 ARG HB2 H 1 2.146 0.002 . 2 . . 619 . . 76 ARG HB2 . 25372 3
555 . 1 1 76 76 ARG HB3 H 1 2.146 . . 2 . . 751 . . 76 ARG HB3 . 25372 3
556 . 1 1 76 76 ARG HG2 H 1 1.559 0.0 . 2 . . 620 . . 76 ARG HG2 . 25372 3
557 . 1 1 76 76 ARG HG3 H 1 1.273 0.001 . 2 . . 621 . . 76 ARG HG3 . 25372 3
558 . 1 1 76 76 ARG HD2 H 1 3.120 0.001 . 2 . . 618 . . 76 ARG HD2 . 25372 3
559 . 1 1 76 76 ARG HD3 H 1 3.120 . . 2 . . 954 . . 76 ARG HD3 . 25372 3
560 . 1 1 76 76 ARG N N 15 122.864 . . 1 . . 107 . . 76 ARG N . 25372 3
561 . 1 1 77 77 ASP H H 1 8.360 0.0 . 1 . . 114 . . 77 ASP H . 25372 3
562 . 1 1 77 77 ASP HA H 1 4.211 0.001 . 1 . . 531 . . 77 ASP HA . 25372 3
563 . 1 1 77 77 ASP HB2 H 1 2.623 0.001 . 2 . . 532 . . 77 ASP HB2 . 25372 3
564 . 1 1 77 77 ASP HB3 H 1 2.569 0.002 . 2 . . 533 . . 77 ASP HB3 . 25372 3
565 . 1 1 77 77 ASP N N 15 119.328 0.0 . 1 . . 113 . . 77 ASP N . 25372 3
566 . 1 1 78 78 LYS H H 1 7.934 0.0 . 1 . . 44 . . 78 LYS H . 25372 3
567 . 1 1 78 78 LYS HA H 1 3.911 0.0 . 1 . . 520 . . 78 LYS HA . 25372 3
568 . 1 1 78 78 LYS HB2 H 1 1.802 0.001 . 2 . . 524 . . 78 LYS HB2 . 25372 3
569 . 1 1 78 78 LYS HB3 H 1 1.754 0.001 . 2 . . 525 . . 78 LYS HB3 . 25372 3
570 . 1 1 78 78 LYS HG2 H 1 1.226 0.002 . 2 . . 523 . . 78 LYS HG2 . 25372 3
571 . 1 1 78 78 LYS HG3 H 1 1.364 0.0 . 2 . . 752 . . 78 LYS HG3 . 25372 3
572 . 1 1 78 78 LYS HD2 H 1 1.516 . . 2 . . 522 . . 78 LYS HD2 . 25372 3
573 . 1 1 78 78 LYS HD3 H 1 1.516 . . 2 . . 974 . . 78 LYS HD3 . 25372 3
574 . 1 1 78 78 LYS HE2 H 1 2.817 0.0 . 2 . . 521 . . 78 LYS HE2 . 25372 3
575 . 1 1 78 78 LYS HE3 H 1 2.817 . . 2 . . 973 . . 78 LYS HE3 . 25372 3
576 . 1 1 78 78 LYS N N 15 121.687 0.006 . 1 . . 43 . . 78 LYS N . 25372 3
577 . 1 1 79 79 ARG H H 1 8.058 0.001 . 1 . . 14 . . 79 ARG H . 25372 3
578 . 1 1 79 79 ARG HA H 1 4.027 0.001 . 1 . . 692 . . 79 ARG HA . 25372 3
579 . 1 1 79 79 ARG HG2 H 1 1.617 0.001 . 2 . . 696 . . 79 ARG HG2 . 25372 3
580 . 1 1 79 79 ARG HG3 H 1 1.551 0.002 . 2 . . 697 . . 79 ARG HG3 . 25372 3
581 . 1 1 79 79 ARG HD2 H 1 3.111 0.0 . 2 . . 693 . . 79 ARG HD2 . 25372 3
582 . 1 1 79 79 ARG HD3 H 1 3.030 . . 2 . . 694 . . 79 ARG HD3 . 25372 3
583 . 1 1 79 79 ARG N N 15 118.824 0.014 . 1 . . 13 . . 79 ARG N . 25372 3
584 . 1 1 80 80 LYS H H 1 8.243 0.001 . 1 . . 54 . . 80 LYS H . 25372 3
585 . 1 1 80 80 LYS HA H 1 3.913 0.001 . 1 . . 487 . . 80 LYS HA . 25372 3
586 . 1 1 80 80 LYS HB2 H 1 1.794 0.0 . 2 . . 489 . . 80 LYS HB2 . 25372 3
587 . 1 1 80 80 LYS HB3 H 1 1.706 0.001 . 2 . . 490 . . 80 LYS HB3 . 25372 3
588 . 1 1 80 80 LYS HG2 H 1 1.361 0.001 . 2 . . 492 . . 80 LYS HG2 . 25372 3
589 . 1 1 80 80 LYS HG3 H 1 1.303 0.001 . 2 . . 493 . . 80 LYS HG3 . 25372 3
590 . 1 1 80 80 LYS HE2 H 1 2.787 . . 2 . . 488 . . 80 LYS HE2 . 25372 3
591 . 1 1 80 80 LYS HE3 H 1 2.787 . . 2 . . 979 . . 80 LYS HE3 . 25372 3
592 . 1 1 80 80 LYS N N 15 120.616 0.02 . 1 . . 53 . . 80 LYS N . 25372 3
593 . 1 1 81 81 ARG H H 1 7.826 0.0 . 1 . . 148 . . 81 ARG H . 25372 3
594 . 1 1 81 81 ARG HA H 1 4.068 0.0 . 1 . . 594 . . 81 ARG HA . 25372 3
595 . 1 1 81 81 ARG HB2 H 1 1.761 0.001 . 2 . . 596 . . 81 ARG HB2 . 25372 3
596 . 1 1 81 81 ARG HB3 H 1 1.761 . . 2 . . 975 . . 81 ARG HB3 . 25372 3
597 . 1 1 81 81 ARG HG2 H 1 1.603 0.0 . 2 . . 597 . . 81 ARG HG2 . 25372 3
598 . 1 1 81 81 ARG HG3 H 1 1.510 . . 2 . . 598 . . 81 ARG HG3 . 25372 3
599 . 1 1 81 81 ARG HD2 H 1 3.059 . . 2 . . 595 . . 81 ARG HD2 . 25372 3
600 . 1 1 81 81 ARG HD3 H 1 3.059 . . 2 . . 980 . . 81 ARG HD3 . 25372 3
601 . 1 1 81 81 ARG N N 15 119.967 0.002 . 1 . . 147 . . 81 ARG N . 25372 3
602 . 1 1 82 82 GLU H H 1 7.994 0.001 . 1 . . 20 . . 82 GLU H . 25372 3
603 . 1 1 82 82 GLU HA H 1 4.073 0.003 . 1 . . 677 . . 82 GLU HA . 25372 3
604 . 1 1 82 82 GLU HB2 H 1 1.894 0.002 . 2 . . 680 . . 82 GLU HB2 . 25372 3
605 . 1 1 82 82 GLU HB3 H 1 1.894 . . 2 . . 976 . . 82 GLU HB3 . 25372 3
606 . 1 1 82 82 GLU HG2 H 1 2.284 0.001 . 2 . . 678 . . 82 GLU HG2 . 25372 3
607 . 1 1 82 82 GLU HG3 H 1 2.128 0.003 . 2 . . 679 . . 82 GLU HG3 . 25372 3
608 . 1 1 82 82 GLU N N 15 119.475 0.001 . 1 . . 19 . . 82 GLU N . 25372 3
609 . 1 1 83 83 SER H H 1 7.890 0.001 . 1 . . 58 . . 83 SER H . 25372 3
610 . 1 1 83 83 SER HA H 1 4.317 0.001 . 1 . . 575 . . 83 SER HA . 25372 3
611 . 1 1 83 83 SER HB2 H 1 3.779 0.0 . 2 . . 754 . . 83 SER HB2 . 25372 3
612 . 1 1 83 83 SER HB3 H 1 3.779 . . 2 . . 977 . . 83 SER HB3 . 25372 3
613 . 1 1 83 83 SER N N 15 115.495 0.014 . 1 . . 57 . . 83 SER N . 25372 3
614 . 1 1 84 84 VAL H H 1 7.825 0.0 . 1 . . 88 . . 84 VAL H . 25372 3
615 . 1 1 84 84 VAL HA H 1 4.037 0.001 . 1 . . 534 . . 84 VAL HA . 25372 3
616 . 1 1 84 84 VAL HB H 1 2.021 0.001 . 1 . . 535 . . 84 VAL HB . 25372 3
617 . 1 1 84 84 VAL HG11 H 1 0.814 0.001 . 1 . . 536 . . 84 VAL HG11 . 25372 3
618 . 1 1 84 84 VAL HG12 H 1 0.814 0.001 . 1 . . 536 . . 84 VAL HG12 . 25372 3
619 . 1 1 84 84 VAL HG13 H 1 0.814 0.001 . 1 . . 536 . . 84 VAL HG13 . 25372 3
620 . 1 1 84 84 VAL HG21 H 1 0.833 0.001 . 1 . . 800 . . 84 VAL HG21 . 25372 3
621 . 1 1 84 84 VAL HG22 H 1 0.833 0.001 . 1 . . 800 . . 84 VAL HG22 . 25372 3
622 . 1 1 84 84 VAL HG23 H 1 0.833 0.001 . 1 . . 800 . . 84 VAL HG23 . 25372 3
623 . 1 1 84 84 VAL N N 15 120.831 0.0 . 1 . . 87 . . 84 VAL N . 25372 3
624 . 1 1 85 85 GLY H H 1 8.254 0.001 . 1 . . 86 . . 85 GLY H . 25372 3
625 . 1 1 85 85 GLY HA2 H 1 3.825 0.0 . 2 . . 592 . . 85 GLY HA2 . 25372 3
626 . 1 1 85 85 GLY HA3 H 1 3.871 0.0 . 2 . . 593 . . 85 GLY HA3 . 25372 3
627 . 1 1 85 85 GLY N N 15 112.508 0.013 . 1 . . 85 . . 85 GLY N . 25372 3
628 . 1 1 86 86 SER H H 1 7.760 0.002 . 1 . . 10 . . 86 SER H . 25372 3
629 . 1 1 86 86 SER N N 15 121.345 0.0 . 1 . . 9 . . 86 SER N . 25372 3
stop_
save_