Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 25372
_Assigned_chem_shift_list.ID 2
_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
4 '3D 1H-13C NOESY' 2 $CG_KIX_13C15N isotropic 25372 2
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 2
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 4.355 0.0 . 1 . . 700 . . 1 MET HA . 25372 2
2 . 1 1 1 1 MET HB2 H 1 1.820 . . 2 . . 914 . . 1 MET HB2 . 25372 2
3 . 1 1 1 1 MET HB3 H 1 1.912 . . 2 . . 915 . . 1 MET HB3 . 25372 2
4 . 1 1 1 1 MET HG2 H 1 2.387 . . 2 . . 701 . . 1 MET HG2 . 25372 2
5 . 1 1 1 1 MET HG3 H 1 2.338 . . 2 . . 702 . . 1 MET HG3 . 25372 2
6 . 1 1 1 1 MET CA C 13 55.585 0.0 . 1 . . 341 . . 1 MET CA . 25372 2
7 . 1 1 2 2 SER HA H 1 4.446 . . 1 . . 652 . . 2 SER HA . 25372 2
8 . 1 1 2 2 SER HB2 H 1 3.803 0.0 . 2 . . 653 . . 2 SER HB2 . 25372 2
9 . 1 1 2 2 SER HB3 H 1 3.732 0.001 . 2 . . 654 . . 2 SER HB3 . 25372 2
10 . 1 1 2 2 SER CA C 13 58.050 0.0 . 1 . . 252 . . 2 SER CA . 25372 2
11 . 1 1 2 2 SER CB C 13 63.948 . . 1 . . 253 . . 2 SER CB . 25372 2
12 . 1 1 3 3 SER HA H 1 4.334 0.001 . 1 . . 676 . . 3 SER HA . 25372 2
13 . 1 1 3 3 SER CA C 13 58.890 . . 1 . . 255 . . 3 SER CA . 25372 2
14 . 1 1 4 4 LYS HA H 1 3.754 0.0 . 1 . . 599 . . 4 LYS HA . 25372 2
15 . 1 1 4 4 LYS HB2 H 1 1.390 0.001 . 2 . . 600 . . 4 LYS HB2 . 25372 2
16 . 1 1 4 4 LYS HB3 H 1 1.210 0.002 . 2 . . 601 . . 4 LYS HB3 . 25372 2
17 . 1 1 4 4 LYS HG2 H 1 0.843 0.002 . 2 . . 704 . . 4 LYS HG2 . 25372 2
18 . 1 1 4 4 LYS HG3 H 1 0.843 . . 2 . . 950 . . 4 LYS HG3 . 25372 2
19 . 1 1 4 4 LYS HD2 H 1 0.953 0.001 . 2 . . 602 . . 4 LYS HD2 . 25372 2
20 . 1 1 4 4 LYS HD3 H 1 0.952 . . 2 . . 949 . . 4 LYS HD3 . 25372 2
21 . 1 1 4 4 LYS HE2 H 1 2.244 0.0 . 2 . . 603 . . 4 LYS HE2 . 25372 2
22 . 1 1 4 4 LYS HE3 H 1 2.411 0.002 . 2 . . 710 . . 4 LYS HE3 . 25372 2
23 . 1 1 4 4 LYS CA C 13 58.560 . . 1 . . 430 . . 4 LYS CA . 25372 2
24 . 1 1 4 4 LYS CB C 13 31.683 0.0 . 1 . . 387 . . 4 LYS CB . 25372 2
25 . 1 1 4 4 LYS CG C 13 24.490 0.0 . 1 . . 916 . . 4 LYS CG . 25372 2
26 . 1 1 4 4 LYS CD C 13 28.833 . . 1 . . 431 . . 4 LYS CD . 25372 2
27 . 1 1 5 5 GLU HA H 1 4.115 0.001 . 1 . . 610 . . 5 GLU HA . 25372 2
28 . 1 1 5 5 GLU HB2 H 1 1.983 0.0 . 2 . . 612 . . 5 GLU HB2 . 25372 2
29 . 1 1 5 5 GLU HB3 H 1 1.814 0.001 . 2 . . 613 . . 5 GLU HB3 . 25372 2
30 . 1 1 5 5 GLU HG2 H 1 2.134 0.002 . 2 . . 611 . . 5 GLU HG2 . 25372 2
31 . 1 1 5 5 GLU HG3 H 1 2.134 . . 2 . . 951 . . 5 GLU HG3 . 25372 2
32 . 1 1 5 5 GLU CA C 13 57.723 . . 1 . . 183 . . 5 GLU CA . 25372 2
33 . 1 1 5 5 GLU CB C 13 29.405 0.006 . 1 . . 181 . . 5 GLU CB . 25372 2
34 . 1 1 5 5 GLU CG C 13 36.605 . . 1 . . 275 . . 5 GLU CG . 25372 2
35 . 1 1 6 6 THR HA H 1 4.192 0.001 . 1 . . 717 . . 6 THR HA . 25372 2
36 . 1 1 6 6 THR HG21 H 1 1.063 0.001 . 1 . . 576 . . 6 THR HG21 . 25372 2
37 . 1 1 6 6 THR HG22 H 1 1.063 0.001 . 1 . . 576 . . 6 THR HG22 . 25372 2
38 . 1 1 6 6 THR HG23 H 1 1.063 0.001 . 1 . . 576 . . 6 THR HG23 . 25372 2
39 . 1 1 6 6 THR CA C 13 69.661 . . 1 . . 277 . . 6 THR CA . 25372 2
40 . 1 1 6 6 THR CB C 13 69.661 . . 1 . . 716 . . 6 THR CB . 25372 2
41 . 1 1 7 7 ILE HA H 1 4.038 0.002 . 1 . . 780 . . 7 ILE HA . 25372 2
42 . 1 1 7 7 ILE HB H 1 1.653 0.005 . 1 . . 781 . . 7 ILE HB . 25372 2
43 . 1 1 7 7 ILE HG12 H 1 1.382 0.002 . 2 . . 782 . . 7 ILE HG12 . 25372 2
44 . 1 1 7 7 ILE HG13 H 1 0.814 0.001 . 2 . . 931 . . 7 ILE HG13 . 25372 2
45 . 1 1 7 7 ILE HD11 H 1 0.629 0.001 . 1 . . 778 . . 7 ILE HD11 . 25372 2
46 . 1 1 7 7 ILE HD12 H 1 0.629 0.001 . 1 . . 778 . . 7 ILE HD12 . 25372 2
47 . 1 1 7 7 ILE HD13 H 1 0.629 0.001 . 1 . . 778 . . 7 ILE HD13 . 25372 2
48 . 1 1 7 7 ILE CA C 13 59.333 0.004 . 1 . . 371 . . 7 ILE CA . 25372 2
49 . 1 1 7 7 ILE CB C 13 38.956 0.0 . 1 . . 392 . . 7 ILE CB . 25372 2
50 . 1 1 7 7 ILE CD1 C 13 16.890 . . 1 . . 918 . . 7 ILE CD1 . 25372 2
51 . 1 1 8 8 PRO HA H 1 4.308 0.0 . 1 . . 648 . . 8 PRO HA . 25372 2
52 . 1 1 8 8 PRO HB2 H 1 2.208 0.001 . 2 . . 649 . . 8 PRO HB2 . 25372 2
53 . 1 1 8 8 PRO HB3 H 1 1.469 0.002 . 2 . . 890 . . 8 PRO HB3 . 25372 2
54 . 1 1 8 8 PRO HG2 H 1 1.678 0.002 . 2 . . 650 . . 8 PRO HG2 . 25372 2
55 . 1 1 8 8 PRO HG3 H 1 1.886 0.001 . 2 . . 901 . . 8 PRO HG3 . 25372 2
56 . 1 1 8 8 PRO HD2 H 1 3.954 0.001 . 2 . . 651 . . 8 PRO HD2 . 25372 2
57 . 1 1 8 8 PRO HD3 H 1 3.544 0.001 . 2 . . 718 . . 8 PRO HD3 . 25372 2
58 . 1 1 8 8 PRO CA C 13 62.321 . . 1 . . 374 . . 8 PRO CA . 25372 2
59 . 1 1 8 8 PRO CB C 13 32.515 0.044 . 1 . . 375 . . 8 PRO CB . 25372 2
60 . 1 1 8 8 PRO CG C 13 27.757 0.047 . 1 . . 376 . . 8 PRO CG . 25372 2
61 . 1 1 8 8 PRO CD C 13 51.017 0.0 . 1 . . 944 . . 8 PRO CD . 25372 2
62 . 1 1 10 10 HIS HA H 1 4.223 0.001 . 1 . . 509 . . 10 HIS HA . 25372 2
63 . 1 1 10 10 HIS HB2 H 1 2.894 0.0 . 2 . . 510 . . 10 HIS HB2 . 25372 2
64 . 1 1 10 10 HIS HB3 H 1 3.053 0.0 . 2 . . 719 . . 10 HIS HB3 . 25372 2
65 . 1 1 10 10 HIS HD1 H 1 6.894 0.001 . 1 . . 891 . . 10 HIS HD1 . 25372 2
66 . 1 1 10 10 HIS CA C 13 59.140 0.0 . 1 . . 450 . . 10 HIS CA . 25372 2
67 . 1 1 11 11 GLN HA H 1 3.957 0.001 . 1 . . 546 . . 11 GLN HA . 25372 2
68 . 1 1 11 11 GLN HB2 H 1 1.853 0.0 . 2 . . 900 . . 11 GLN HB2 . 25372 2
69 . 1 1 11 11 GLN HB3 H 1 1.919 0.027 . 2 . . 932 . . 11 GLN HB3 . 25372 2
70 . 1 1 11 11 GLN HG2 H 1 2.224 0.003 . 2 . . 547 . . 11 GLN HG2 . 25372 2
71 . 1 1 11 11 GLN HG3 H 1 2.173 0.023 . 2 . . 548 . . 11 GLN HG3 . 25372 2
72 . 1 1 11 11 GLN CA C 13 57.879 . . 1 . . 393 . . 11 GLN CA . 25372 2
73 . 1 1 11 11 GLN CB C 13 28.626 0.01 . 1 . . 948 . . 11 GLN CB . 25372 2
74 . 1 1 11 11 GLN CG C 13 33.576 . . 1 . . 713 . . 11 GLN CG . 25372 2
75 . 1 1 12 12 ARG HA H 1 3.966 0.005 . 1 . . 511 . . 12 ARG HA . 25372 2
76 . 1 1 12 12 ARG HB2 H 1 1.798 0.003 . 2 . . 722 . . 12 ARG HB2 . 25372 2
77 . 1 1 12 12 ARG HB3 H 1 1.704 0.004 . 2 . . 723 . . 12 ARG HB3 . 25372 2
78 . 1 1 12 12 ARG HG2 H 1 1.203 0.002 . 2 . . 513 . . 12 ARG HG2 . 25372 2
79 . 1 1 12 12 ARG HG3 H 1 1.461 0.001 . 2 . . 720 . . 12 ARG HG3 . 25372 2
80 . 1 1 12 12 ARG HD2 H 1 2.488 0.003 . 2 . . 512 . . 12 ARG HD2 . 25372 2
81 . 1 1 12 12 ARG HD3 H 1 2.127 0.002 . 2 . . 721 . . 12 ARG HD3 . 25372 2
82 . 1 1 12 12 ARG CA C 13 60.690 0.002 . 1 . . 416 . . 12 ARG CA . 25372 2
83 . 1 1 12 12 ARG CB C 13 29.455 0.0 . 1 . . 263 . . 12 ARG CB . 25372 2
84 . 1 1 12 12 ARG CG C 13 26.320 0.0 . 1 . . 417 . . 12 ARG CG . 25372 2
85 . 1 1 12 12 ARG CD C 13 42.546 0.0 . 1 . . 334 . . 12 ARG CD . 25372 2
86 . 1 1 13 13 SER HA H 1 3.948 0.002 . 1 . . 930 . . 13 SER HA . 25372 2
87 . 1 1 13 13 SER HB2 H 1 3.731 0.001 . 2 . . 556 . . 13 SER HB2 . 25372 2
88 . 1 1 13 13 SER HB3 H 1 3.731 . . 2 . . 952 . . 13 SER HB3 . 25372 2
89 . 1 1 13 13 SER CA C 13 61.484 0.113 . 1 . . 320 . . 13 SER CA . 25372 2
90 . 1 1 13 13 SER CB C 13 62.516 . . 1 . . 321 . . 13 SER CB . 25372 2
91 . 1 1 14 14 GLN HA H 1 3.965 0.001 . 1 . . 933 . . 14 GLN HA . 25372 2
92 . 1 1 14 14 GLN HB2 H 1 1.980 0.001 . 2 . . 934 . . 14 GLN HB2 . 25372 2
93 . 1 1 14 14 GLN HB3 H 1 2.087 0.001 . 2 . . 935 . . 14 GLN HB3 . 25372 2
94 . 1 1 14 14 GLN HG2 H 1 2.221 0.001 . 2 . . 936 . . 14 GLN HG2 . 25372 2
95 . 1 1 14 14 GLN HG3 H 1 2.283 0.0 . 2 . . 937 . . 14 GLN HG3 . 25372 2
96 . 1 1 14 14 GLN CA C 13 58.663 0.0 . 1 . . 322 . . 14 GLN CA . 25372 2
97 . 1 1 14 14 GLN CB C 13 28.195 . . 1 . . 388 . . 14 GLN CB . 25372 2
98 . 1 1 15 15 ASN HA H 1 4.391 0.002 . 1 . . 892 . . 15 ASN HA . 25372 2
99 . 1 1 15 15 ASN HB2 H 1 2.670 0.002 . 2 . . 893 . . 15 ASN HB2 . 25372 2
100 . 1 1 15 15 ASN HB3 H 1 3.171 0.002 . 2 . . 923 . . 15 ASN HB3 . 25372 2
101 . 1 1 15 15 ASN CA C 13 55.849 0.007 . 1 . . 354 . . 15 ASN CA . 25372 2
102 . 1 1 15 15 ASN CB C 13 37.624 0.0 . 1 . . 355 . . 15 ASN CB . 25372 2
103 . 1 1 16 16 VAL HA H 1 3.215 0.0 . 1 . . 844 . . 16 VAL HA . 25372 2
104 . 1 1 16 16 VAL HB H 1 2.052 0.001 . 1 . . 843 . . 16 VAL HB . 25372 2
105 . 1 1 16 16 VAL HG11 H 1 0.722 0.0 . 1 . . 840 . . 16 VAL HG11 . 25372 2
106 . 1 1 16 16 VAL HG12 H 1 0.722 0.0 . 1 . . 840 . . 16 VAL HG12 . 25372 2
107 . 1 1 16 16 VAL HG13 H 1 0.722 0.0 . 1 . . 840 . . 16 VAL HG13 . 25372 2
108 . 1 1 16 16 VAL HG21 H 1 0.995 0.001 . 1 . . 841 . . 16 VAL HG21 . 25372 2
109 . 1 1 16 16 VAL HG22 H 1 0.995 0.001 . 1 . . 841 . . 16 VAL HG22 . 25372 2
110 . 1 1 16 16 VAL HG23 H 1 0.995 0.001 . 1 . . 841 . . 16 VAL HG23 . 25372 2
111 . 1 1 16 16 VAL CA C 13 67.753 . . 1 . . 881 . . 16 VAL CA . 25372 2
112 . 1 1 16 16 VAL CG1 C 13 21.571 0.002 . 1 . . 895 . . 16 VAL CG1 . 25372 2
113 . 1 1 16 16 VAL CG2 C 13 23.579 0.008 . 1 . . 842 . . 16 VAL CG2 . 25372 2
114 . 1 1 17 17 ALA HA H 1 3.890 0.001 . 1 . . 545 . . 17 ALA HA . 25372 2
115 . 1 1 17 17 ALA HB1 H 1 1.339 0.001 . 1 . . 544 . . 17 ALA HB1 . 25372 2
116 . 1 1 17 17 ALA HB2 H 1 1.339 0.001 . 1 . . 544 . . 17 ALA HB2 . 25372 2
117 . 1 1 17 17 ALA HB3 H 1 1.339 0.001 . 1 . . 544 . . 17 ALA HB3 . 25372 2
118 . 1 1 17 17 ALA CA C 13 55.259 0.076 . 1 . . 987 . . 17 ALA CA . 25372 2
119 . 1 1 18 18 GLU HA H 1 3.895 0.001 . 1 . . 939 . . 18 GLU HA . 25372 2
120 . 1 1 18 18 GLU HB2 H 1 2.022 0.0 . 2 . . 850 . . 18 GLU HB2 . 25372 2
121 . 1 1 18 18 GLU HB3 H 1 1.895 . . 2 . . 851 . . 18 GLU HB3 . 25372 2
122 . 1 1 18 18 GLU HG2 H 1 2.300 . . 2 . . 848 . . 18 GLU HG2 . 25372 2
123 . 1 1 18 18 GLU HG3 H 1 2.108 . . 2 . . 849 . . 18 GLU HG3 . 25372 2
124 . 1 1 18 18 GLU CA C 13 59.689 0.006 . 1 . . 332 . . 18 GLU CA . 25372 2
125 . 1 1 19 19 LEU HA H 1 3.830 0.0 . 1 . . 657 . . 19 LEU HA . 25372 2
126 . 1 1 19 19 LEU HB2 H 1 1.647 0.003 . 2 . . 658 . . 19 LEU HB2 . 25372 2
127 . 1 1 19 19 LEU HB3 H 1 1.475 0.003 . 2 . . 659 . . 19 LEU HB3 . 25372 2
128 . 1 1 19 19 LEU HG H 1 1.415 . . 1 . . 724 . . 19 LEU HG . 25372 2
129 . 1 1 19 19 LEU HD11 H 1 0.631 0.001 . 1 . . 928 . . 19 LEU HD11 . 25372 2
130 . 1 1 19 19 LEU HD12 H 1 0.631 0.001 . 1 . . 928 . . 19 LEU HD12 . 25372 2
131 . 1 1 19 19 LEU HD13 H 1 0.631 0.001 . 1 . . 928 . . 19 LEU HD13 . 25372 2
132 . 1 1 19 19 LEU HD21 H 1 0.619 0.004 . 1 . . 660 . . 19 LEU HD21 . 25372 2
133 . 1 1 19 19 LEU HD22 H 1 0.619 0.004 . 1 . . 660 . . 19 LEU HD22 . 25372 2
134 . 1 1 19 19 LEU HD23 H 1 0.619 0.004 . 1 . . 660 . . 19 LEU HD23 . 25372 2
135 . 1 1 19 19 LEU CA C 13 57.979 0.0 . 1 . . 242 . . 19 LEU CA . 25372 2
136 . 1 1 19 19 LEU CB C 13 41.837 0.003 . 1 . . 244 . . 19 LEU CB . 25372 2
137 . 1 1 19 19 LEU CD1 C 13 24.120 0.011 . 1 . . 929 . . 19 LEU CD1 . 25372 2
138 . 1 1 19 19 LEU CD2 C 13 26.414 . . 1 . . 420 . . 19 LEU CD2 . 25372 2
139 . 1 1 20 20 LEU HA H 1 3.754 0.001 . 1 . . 540 . . 20 LEU HA . 25372 2
140 . 1 1 20 20 LEU HB2 H 1 1.281 0.000 . 2 . . 541 . . 20 LEU HB2 . 25372 2
141 . 1 1 20 20 LEU HB3 H 1 1.865 0.0 . 2 . . 725 . . 20 LEU HB3 . 25372 2
142 . 1 1 20 20 LEU HG H 1 1.499 . . 1 . . 542 . . 20 LEU HG . 25372 2
143 . 1 1 20 20 LEU HD11 H 1 0.708 0.0 . 1 . . 896 . . 20 LEU HD11 . 25372 2
144 . 1 1 20 20 LEU HD12 H 1 0.708 0.0 . 1 . . 896 . . 20 LEU HD12 . 25372 2
145 . 1 1 20 20 LEU HD13 H 1 0.708 0.0 . 1 . . 896 . . 20 LEU HD13 . 25372 2
146 . 1 1 20 20 LEU HD21 H 1 0.760 0.001 . 1 . . 543 . . 20 LEU HD21 . 25372 2
147 . 1 1 20 20 LEU HD22 H 1 0.760 0.001 . 1 . . 543 . . 20 LEU HD22 . 25372 2
148 . 1 1 20 20 LEU HD23 H 1 0.760 0.001 . 1 . . 543 . . 20 LEU HD23 . 25372 2
149 . 1 1 20 20 LEU CA C 13 58.347 0.015 . 1 . . 405 . . 20 LEU CA . 25372 2
150 . 1 1 20 20 LEU CB C 13 41.713 0.005 . 1 . . 293 . . 20 LEU CB . 25372 2
151 . 1 1 20 20 LEU CD1 C 13 24.026 0.004 . 1 . . 294 . . 20 LEU CD1 . 25372 2
152 . 1 1 20 20 LEU CD2 C 13 25.912 0.034 . 1 . . 292 . . 20 LEU CD2 . 25372 2
153 . 1 1 21 21 THR HA H 1 3.690 0.002 . 1 . . 503 . . 21 THR HA . 25372 2
154 . 1 1 21 21 THR HB H 1 4.120 0.0 . 1 . . 728 . . 21 THR HB . 25372 2
155 . 1 1 21 21 THR HG21 H 1 1.112 0.001 . 1 . . 504 . . 21 THR HG21 . 25372 2
156 . 1 1 21 21 THR HG22 H 1 1.112 0.001 . 1 . . 504 . . 21 THR HG22 . 25372 2
157 . 1 1 21 21 THR HG23 H 1 1.112 0.001 . 1 . . 504 . . 21 THR HG23 . 25372 2
158 . 1 1 21 21 THR CA C 13 66.923 0.006 . 1 . . 297 . . 21 THR CA . 25372 2
159 . 1 1 22 22 VAL HA H 1 3.745 0.001 . 1 . . 691 . . 22 VAL HA . 25372 2
160 . 1 1 22 22 VAL HB H 1 2.001 0.005 . 1 . . 690 . . 22 VAL HB . 25372 2
161 . 1 1 22 22 VAL HG11 H 1 0.790 0.001 . 1 . . 688 . . 22 VAL HG11 . 25372 2
162 . 1 1 22 22 VAL HG12 H 1 0.790 0.001 . 1 . . 688 . . 22 VAL HG12 . 25372 2
163 . 1 1 22 22 VAL HG13 H 1 0.790 0.001 . 1 . . 688 . . 22 VAL HG13 . 25372 2
164 . 1 1 22 22 VAL HG21 H 1 0.925 0.001 . 1 . . 689 . . 22 VAL HG21 . 25372 2
165 . 1 1 22 22 VAL HG22 H 1 0.925 0.001 . 1 . . 689 . . 22 VAL HG22 . 25372 2
166 . 1 1 22 22 VAL HG23 H 1 0.925 0.001 . 1 . . 689 . . 22 VAL HG23 . 25372 2
167 . 1 1 22 22 VAL CA C 13 65.985 0.0 . 1 . . 298 . . 22 VAL CA . 25372 2
168 . 1 1 22 22 VAL CB C 13 31.820 . . 1 . . 350 . . 22 VAL CB . 25372 2
169 . 1 1 22 22 VAL CG1 C 13 22.496 0.002 . 1 . . 448 . . 22 VAL CG1 . 25372 2
170 . 1 1 22 22 VAL CG2 C 13 22.654 . . 1 . . 897 . . 22 VAL CG2 . 25372 2
171 . 1 1 23 23 LEU HA H 1 3.764 0.02 . 1 . . 624 . . 23 LEU HA . 25372 2
172 . 1 1 23 23 LEU HB2 H 1 1.840 0.011 . 2 . . 625 . . 23 LEU HB2 . 25372 2
173 . 1 1 23 23 LEU HB3 H 1 1.479 0.001 . 2 . . 729 . . 23 LEU HB3 . 25372 2
174 . 1 1 23 23 LEU HG H 1 1.683 0.018 . 1 . . 898 . . 23 LEU HG . 25372 2
175 . 1 1 23 23 LEU HD11 H 1 0.702 0.0 . 1 . . 925 . . 23 LEU HD11 . 25372 2
176 . 1 1 23 23 LEU HD12 H 1 0.702 0.0 . 1 . . 925 . . 23 LEU HD12 . 25372 2
177 . 1 1 23 23 LEU HD13 H 1 0.702 0.0 . 1 . . 925 . . 23 LEU HD13 . 25372 2
178 . 1 1 23 23 LEU HD21 H 1 0.685 0.0 . 1 . . 626 . . 23 LEU HD21 . 25372 2
179 . 1 1 23 23 LEU HD22 H 1 0.685 0.0 . 1 . . 626 . . 23 LEU HD22 . 25372 2
180 . 1 1 23 23 LEU HD23 H 1 0.685 0.0 . 1 . . 626 . . 23 LEU HD23 . 25372 2
181 . 1 1 23 23 LEU CA C 13 58.064 . . 1 . . 207 . . 23 LEU CA . 25372 2
182 . 1 1 23 23 LEU CB C 13 41.458 0.008 . 1 . . 205 . . 23 LEU CB . 25372 2
183 . 1 1 23 23 LEU CD1 C 13 26.414 . . 1 . . 926 . . 23 LEU CD1 . 25372 2
184 . 1 1 23 23 LEU CD2 C 13 22.772 . . 1 . . 927 . . 23 LEU CD2 . 25372 2
185 . 1 1 24 24 MET HB2 H 1 1.894 0.002 . 2 . . 730 . . 24 MET HB2 . 25372 2
186 . 1 1 24 24 MET HB3 H 1 2.129 0.001 . 2 . . 731 . . 24 MET HB3 . 25372 2
187 . 1 1 24 24 MET HG2 H 1 2.615 0.001 . 2 . . 682 . . 24 MET HG2 . 25372 2
188 . 1 1 24 24 MET HG3 H 1 2.446 0.002 . 2 . . 683 . . 24 MET HG3 . 25372 2
189 . 1 1 24 24 MET CB C 13 31.471 . . 1 . . 208 . . 24 MET CB . 25372 2
190 . 1 1 25 25 ASP HA H 1 4.356 0.001 . 1 . . 627 . . 25 ASP HA . 25372 2
191 . 1 1 25 25 ASP HB2 H 1 2.823 0.001 . 2 . . 628 . . 25 ASP HB2 . 25372 2
192 . 1 1 25 25 ASP HB3 H 1 2.438 0.0 . 2 . . 629 . . 25 ASP HB3 . 25372 2
193 . 1 1 25 25 ASP CA C 13 57.360 0.0 . 1 . . 311 . . 25 ASP CA . 25372 2
194 . 1 1 25 25 ASP CB C 13 41.147 0.0 . 1 . . 310 . . 25 ASP CB . 25372 2
195 . 1 1 26 26 ILE HA H 1 3.409 0.003 . 1 . . 501 . . 26 ILE HA . 25372 2
196 . 1 1 26 26 ILE HB H 1 1.796 0.002 . 1 . . 733 . . 26 ILE HB . 25372 2
197 . 1 1 26 26 ILE HG12 H 1 1.647 0.001 . 2 . . 734 . . 26 ILE HG12 . 25372 2
198 . 1 1 26 26 ILE HG13 H 1 1.648 . . 2 . . 953 . . 26 ILE HG13 . 25372 2
199 . 1 1 26 26 ILE HG21 H 1 0.702 . . 1 . . 502 . . 26 ILE HG21 . 25372 2
200 . 1 1 26 26 ILE HG22 H 1 0.702 . . 1 . . 502 . . 26 ILE HG22 . 25372 2
201 . 1 1 26 26 ILE HG23 H 1 0.702 . . 1 . . 502 . . 26 ILE HG23 . 25372 2
202 . 1 1 26 26 ILE HD11 H 1 0.722 0.005 . 1 . . 917 . . 26 ILE HD11 . 25372 2
203 . 1 1 26 26 ILE HD12 H 1 0.722 0.005 . 1 . . 917 . . 26 ILE HD12 . 25372 2
204 . 1 1 26 26 ILE HD13 H 1 0.722 0.005 . 1 . . 917 . . 26 ILE HD13 . 25372 2
205 . 1 1 26 26 ILE CA C 13 65.563 . . 1 . . 211 . . 26 ILE CA . 25372 2
206 . 1 1 26 26 ILE CG2 C 13 17.421 . . 1 . . 735 . . 26 ILE CG2 . 25372 2
207 . 1 1 26 26 ILE CD1 C 13 13.976 0.006 . 1 . . 446 . . 26 ILE CD1 . 25372 2
208 . 1 1 29 29 ILE HA H 1 3.669 0.0 . 1 . . 514 . . 29 ILE HA . 25372 2
209 . 1 1 29 29 ILE HB H 1 1.729 0.002 . 1 . . 515 . . 29 ILE HB . 25372 2
210 . 1 1 29 29 ILE HG12 H 1 1.524 0.0 . 2 . . 736 . . 29 ILE HG12 . 25372 2
211 . 1 1 29 29 ILE HG13 H 1 0.953 0.002 . 2 . . 737 . . 29 ILE HG13 . 25372 2
212 . 1 1 29 29 ILE HG21 H 1 0.703 . . 1 . . 517 . . 29 ILE HG21 . 25372 2
213 . 1 1 29 29 ILE HG22 H 1 0.703 . . 1 . . 517 . . 29 ILE HG22 . 25372 2
214 . 1 1 29 29 ILE HG23 H 1 0.703 . . 1 . . 517 . . 29 ILE HG23 . 25372 2
215 . 1 1 29 29 ILE HD11 H 1 0.638 0.001 . 1 . . 516 . . 29 ILE HD11 . 25372 2
216 . 1 1 29 29 ILE HD12 H 1 0.638 0.001 . 1 . . 516 . . 29 ILE HD12 . 25372 2
217 . 1 1 29 29 ILE HD13 H 1 0.638 0.001 . 1 . . 516 . . 29 ILE HD13 . 25372 2
218 . 1 1 29 29 ILE CA C 13 63.773 . . 1 . . 942 . . 29 ILE CA . 25372 2
219 . 1 1 29 29 ILE CG2 C 13 17.524 . . 1 . . 434 . . 29 ILE CG2 . 25372 2
220 . 1 1 29 29 ILE CD1 C 13 14.582 . . 1 . . 433 . . 29 ILE CD1 . 25372 2
221 . 1 1 33 33 ASP HA H 1 4.595 0.0 . 1 . . 670 . . 33 ASP HA . 25372 2
222 . 1 1 33 33 ASP HB2 H 1 2.837 . . 2 . . 671 . . 33 ASP HB2 . 25372 2
223 . 1 1 33 33 ASP HB3 H 1 2.646 . . 2 . . 672 . . 33 ASP HB3 . 25372 2
224 . 1 1 33 33 ASP CA C 13 53.203 0.001 . 1 . . 401 . . 33 ASP CA . 25372 2
225 . 1 1 34 34 SER HA H 1 4.118 0.002 . 1 . . 577 . . 34 SER HA . 25372 2
226 . 1 1 34 34 SER HB2 H 1 3.829 0.001 . 2 . . 578 . . 34 SER HB2 . 25372 2
227 . 1 1 34 34 SER HB3 H 1 3.772 0.001 . 2 . . 579 . . 34 SER HB3 . 25372 2
228 . 1 1 34 34 SER CA C 13 60.723 . . 1 . . 400 . . 34 SER CA . 25372 2
229 . 1 1 34 34 SER CB C 13 62.909 . . 1 . . 193 . . 34 SER CB . 25372 2
230 . 1 1 35 35 THR HA H 1 4.056 0.0 . 1 . . 608 . . 35 THR HA . 25372 2
231 . 1 1 35 35 THR HB H 1 4.122 0.0 . 1 . . 738 . . 35 THR HB . 25372 2
232 . 1 1 35 35 THR HG21 H 1 1.078 . . 1 . . 609 . . 35 THR HG21 . 25372 2
233 . 1 1 35 35 THR HG22 H 1 1.078 . . 1 . . 609 . . 35 THR HG22 . 25372 2
234 . 1 1 35 35 THR HG23 H 1 1.078 . . 1 . . 609 . . 35 THR HG23 . 25372 2
235 . 1 1 35 35 THR CA C 13 64.892 . . 1 . . 303 . . 35 THR CA . 25372 2
236 . 1 1 35 35 THR CB C 13 68.902 . . 1 . . 384 . . 35 THR CB . 25372 2
237 . 1 1 36 36 THR HA H 1 3.954 0.0 . 1 . . 630 . . 36 THR HA . 25372 2
238 . 1 1 36 36 THR HB H 1 4.206 . . 1 . . 739 . . 36 THR HB . 25372 2
239 . 1 1 36 36 THR HG21 H 1 1.098 . . 1 . . 631 . . 36 THR HG21 . 25372 2
240 . 1 1 36 36 THR HG22 H 1 1.098 . . 1 . . 631 . . 36 THR HG22 . 25372 2
241 . 1 1 36 36 THR HG23 H 1 1.098 . . 1 . . 631 . . 36 THR HG23 . 25372 2
242 . 1 1 36 36 THR CA C 13 64.536 . . 1 . . 305 . . 36 THR CA . 25372 2
243 . 1 1 37 37 ALA HA H 1 3.815 0.001 . 1 . . 549 . . 37 ALA HA . 25372 2
244 . 1 1 37 37 ALA HB1 H 1 1.335 0.001 . 1 . . 550 . . 37 ALA HB1 . 25372 2
245 . 1 1 37 37 ALA HB2 H 1 1.335 0.001 . 1 . . 550 . . 37 ALA HB2 . 25372 2
246 . 1 1 37 37 ALA HB3 H 1 1.335 0.001 . 1 . . 550 . . 37 ALA HB3 . 25372 2
247 . 1 1 37 37 ALA CA C 13 55.742 . . 1 . . 364 . . 37 ALA CA . 25372 2
248 . 1 1 37 37 ALA CB C 13 18.309 . . 1 . . 391 . . 37 ALA CB . 25372 2
249 . 1 1 38 38 GLU HA H 1 3.839 0.001 . 1 . . 566 . . 38 GLU HA . 25372 2
250 . 1 1 38 38 GLU HB2 H 1 1.977 0.001 . 2 . . 568 . . 38 GLU HB2 . 25372 2
251 . 1 1 38 38 GLU HB3 H 1 1.920 0.001 . 2 . . 742 . . 38 GLU HB3 . 25372 2
252 . 1 1 38 38 GLU HG2 H 1 2.203 0.001 . 2 . . 567 . . 38 GLU HG2 . 25372 2
253 . 1 1 38 38 GLU HG3 H 1 2.204 . . 2 . . 957 . . 38 GLU HG3 . 25372 2
254 . 1 1 38 38 GLU CA C 13 59.288 . . 1 . . 301 . . 38 GLU CA . 25372 2
255 . 1 1 39 39 LYS HA H 1 3.876 0.001 . 1 . . 853 . . 39 LYS HA . 25372 2
256 . 1 1 39 39 LYS HB2 H 1 1.816 0.002 . 2 . . 852 . . 39 LYS HB2 . 25372 2
257 . 1 1 39 39 LYS HB3 H 1 1.702 0.002 . 2 . . 854 . . 39 LYS HB3 . 25372 2
258 . 1 1 39 39 LYS HG2 H 1 1.423 0.001 . 2 . . 855 . . 39 LYS HG2 . 25372 2
259 . 1 1 39 39 LYS HG3 H 1 1.250 0.001 . 2 . . 912 . . 39 LYS HG3 . 25372 2
260 . 1 1 39 39 LYS CA C 13 59.150 . . 1 . . 167 . . 39 LYS CA . 25372 2
261 . 1 1 39 39 LYS CG C 13 25.559 . . 1 . . 911 . . 39 LYS CG . 25372 2
262 . 1 1 40 40 MET HA H 1 4.123 . . 1 . . 856 . . 40 MET HA . 25372 2
263 . 1 1 41 41 LYS HA H 1 3.752 0.001 . 1 . . 869 . . 41 LYS HA . 25372 2
264 . 1 1 41 41 LYS HB2 H 1 1.817 . . 2 . . 868 . . 41 LYS HB2 . 25372 2
265 . 1 1 41 41 LYS HB3 H 1 1.817 . . 2 . . 958 . . 41 LYS HB3 . 25372 2
266 . 1 1 41 41 LYS HG2 H 1 1.247 . . 2 . . 865 . . 41 LYS HG2 . 25372 2
267 . 1 1 41 41 LYS HG3 H 1 1.351 . . 2 . . 866 . . 41 LYS HG3 . 25372 2
268 . 1 1 41 41 LYS CA C 13 60.430 0.002 . 1 . . 409 . . 41 LYS CA . 25372 2
269 . 1 1 42 42 VAL HA H 1 3.486 0.001 . 1 . . 863 . . 42 VAL HA . 25372 2
270 . 1 1 42 42 VAL HB H 1 1.991 . . 1 . . 864 . . 42 VAL HB . 25372 2
271 . 1 1 42 42 VAL HG11 H 1 0.798 0.002 . 1 . . 784 . . 42 VAL HG11 . 25372 2
272 . 1 1 42 42 VAL HG12 H 1 0.798 0.002 . 1 . . 784 . . 42 VAL HG12 . 25372 2
273 . 1 1 42 42 VAL HG13 H 1 0.798 0.002 . 1 . . 784 . . 42 VAL HG13 . 25372 2
274 . 1 1 42 42 VAL HG21 H 1 0.932 0.002 . 1 . . 785 . . 42 VAL HG21 . 25372 2
275 . 1 1 42 42 VAL HG22 H 1 0.932 0.002 . 1 . . 785 . . 42 VAL HG22 . 25372 2
276 . 1 1 42 42 VAL HG23 H 1 0.932 0.002 . 1 . . 785 . . 42 VAL HG23 . 25372 2
277 . 1 1 42 42 VAL CA C 13 66.305 0.024 . 1 . . 408 . . 42 VAL CA . 25372 2
278 . 1 1 43 43 HIS HA H 1 4.267 0.002 . 1 . . 507 . . 43 HIS HA . 25372 2
279 . 1 1 43 43 HIS HB2 H 1 3.062 0.0 . 2 . . 508 . . 43 HIS HB2 . 25372 2
280 . 1 1 43 43 HIS HB3 H 1 3.062 . . 2 . . 960 . . 43 HIS HB3 . 25372 2
281 . 1 1 43 43 HIS HD1 H 1 6.622 0.001 . 1 . . 888 . . 43 HIS HD1 . 25372 2
282 . 1 1 43 43 HIS CA C 13 59.090 . . 1 . . 415 . . 43 HIS CA . 25372 2
283 . 1 1 43 43 HIS CB C 13 30.099 . . 1 . . 323 . . 43 HIS CB . 25372 2
284 . 1 1 44 44 ALA HA H 1 3.757 0.002 . 1 . . 635 . . 44 ALA HA . 25372 2
285 . 1 1 44 44 ALA HB1 H 1 1.348 0.001 . 1 . . 636 . . 44 ALA HB1 . 25372 2
286 . 1 1 44 44 ALA HB2 H 1 1.348 0.001 . 1 . . 636 . . 44 ALA HB2 . 25372 2
287 . 1 1 44 44 ALA HB3 H 1 1.348 0.001 . 1 . . 636 . . 44 ALA HB3 . 25372 2
288 . 1 1 44 44 ALA CA C 13 55.638 0.05 . 1 . . 326 . . 44 ALA CA . 25372 2
289 . 1 1 44 44 ALA CB C 13 18.786 . . 1 . . 325 . . 44 ALA CB . 25372 2
290 . 1 1 45 45 LYS HA H 1 3.897 . . 1 . . 478 . . 45 LYS HA . 25372 2
291 . 1 1 45 45 LYS HB2 H 1 1.787 . . 2 . . 480 . . 45 LYS HB2 . 25372 2
292 . 1 1 45 45 LYS HB3 H 1 1.787 . . 2 . . 961 . . 45 LYS HB3 . 25372 2
293 . 1 1 45 45 LYS HD2 H 1 1.526 . . 2 . . 481 . . 45 LYS HD2 . 25372 2
294 . 1 1 45 45 LYS HD3 H 1 1.526 . . 2 . . 962 . . 45 LYS HD3 . 25372 2
295 . 1 1 45 45 LYS CA C 13 59.598 . . 1 . . 291 . . 45 LYS CA . 25372 2
296 . 1 1 46 46 SER HA H 1 4.120 0.005 . 1 . . 637 . . 46 SER HA . 25372 2
297 . 1 1 46 46 SER HB2 H 1 3.886 . . 1 . . 638 . . 46 SER HB2 . 25372 2
298 . 1 1 46 46 SER CA C 13 61.734 . . 1 . . 353 . . 46 SER CA . 25372 2
299 . 1 1 47 47 PHE HA H 1 3.997 0.001 . 1 . . 789 . . 47 PHE HA . 25372 2
300 . 1 1 47 47 PHE HB2 H 1 2.900 0.001 . 2 . . 787 . . 47 PHE HB2 . 25372 2
301 . 1 1 47 47 PHE HB3 H 1 2.835 0.002 . 2 . . 788 . . 47 PHE HB3 . 25372 2
302 . 1 1 47 47 PHE HD1 H 1 6.925 0.0 . 1 . . 882 . . 47 PHE HD1 . 25372 2
303 . 1 1 47 47 PHE HD2 H 1 6.925 0.0 . 1 . . 882 . . 47 PHE HD2 . 25372 2
304 . 1 1 47 47 PHE HE1 H 1 7.169 0.003 . 1 . . 883 . . 47 PHE HE1 . 25372 2
305 . 1 1 47 47 PHE HE2 H 1 7.169 0.003 . 1 . . 883 . . 47 PHE HE2 . 25372 2
306 . 1 1 47 47 PHE CA C 13 61.118 0.007 . 1 . . 786 . . 47 PHE CA . 25372 2
307 . 1 1 48 48 GLU HA H 1 3.604 0.088 . 1 . . 539 . . 48 GLU HA . 25372 2
308 . 1 1 48 48 GLU HB2 H 1 1.579 . . 2 . . 538 . . 48 GLU HB2 . 25372 2
309 . 1 1 48 48 GLU HB3 H 1 1.579 . . 2 . . 873 . . 48 GLU HB3 . 25372 2
310 . 1 1 48 48 GLU HG2 H 1 2.278 0.027 . 2 . . 537 . . 48 GLU HG2 . 25372 2
311 . 1 1 48 48 GLU HG3 H 1 2.531 . . 2 . . 872 . . 48 GLU HG3 . 25372 2
312 . 1 1 48 48 GLU CA C 13 61.233 0.011 . 1 . . 404 . . 48 GLU CA . 25372 2
313 . 1 1 48 48 GLU CG C 13 36.602 0.035 . 1 . . 339 . . 48 GLU CG . 25372 2
314 . 1 1 49 49 ALA HA H 1 3.678 0.001 . 1 . . 526 . . 49 ALA HA . 25372 2
315 . 1 1 49 49 ALA HB1 H 1 1.359 0.001 . 1 . . 527 . . 49 ALA HB1 . 25372 2
316 . 1 1 49 49 ALA HB2 H 1 1.359 0.001 . 1 . . 527 . . 49 ALA HB2 . 25372 2
317 . 1 1 49 49 ALA HB3 H 1 1.359 0.001 . 1 . . 527 . . 49 ALA HB3 . 25372 2
318 . 1 1 49 49 ALA CA C 13 55.301 . . 1 . . 379 . . 49 ALA CA . 25372 2
319 . 1 1 49 49 ALA CB C 13 17.870 . . 1 . . 340 . . 49 ALA CB . 25372 2
320 . 1 1 50 50 ALA HA H 1 4.007 . . 1 . . 476 . . 50 ALA HA . 25372 2
321 . 1 1 50 50 ALA HB1 H 1 1.241 0.001 . 1 . . 477 . . 50 ALA HB1 . 25372 2
322 . 1 1 50 50 ALA HB2 H 1 1.241 0.001 . 1 . . 477 . . 50 ALA HB2 . 25372 2
323 . 1 1 50 50 ALA HB3 H 1 1.241 0.001 . 1 . . 477 . . 50 ALA HB3 . 25372 2
324 . 1 1 50 50 ALA CB C 13 17.870 . . 1 . . 280 . . 50 ALA CB . 25372 2
325 . 1 1 51 51 LEU HA H 1 3.858 0.001 . 1 . . 569 . . 51 LEU HA . 25372 2
326 . 1 1 51 51 LEU HB2 H 1 1.518 0.0 . 2 . . 570 . . 51 LEU HB2 . 25372 2
327 . 1 1 51 51 LEU HB3 H 1 1.222 0.002 . 2 . . 572 . . 51 LEU HB3 . 25372 2
328 . 1 1 51 51 LEU HG H 1 1.446 0.002 . 1 . . 571 . . 51 LEU HG . 25372 2
329 . 1 1 51 51 LEU HD11 H 1 0.650 0.001 . 1 . . 573 . . 51 LEU HD11 . 25372 2
330 . 1 1 51 51 LEU HD12 H 1 0.650 0.001 . 1 . . 573 . . 51 LEU HD12 . 25372 2
331 . 1 1 51 51 LEU HD13 H 1 0.650 0.001 . 1 . . 573 . . 51 LEU HD13 . 25372 2
332 . 1 1 51 51 LEU HD21 H 1 0.603 0.001 . 1 . . 574 . . 51 LEU HD21 . 25372 2
333 . 1 1 51 51 LEU HD22 H 1 0.603 0.001 . 1 . . 574 . . 51 LEU HD22 . 25372 2
334 . 1 1 51 51 LEU HD23 H 1 0.603 0.001 . 1 . . 574 . . 51 LEU HD23 . 25372 2
335 . 1 1 51 51 LEU CB C 13 41.514 0.0 . 1 . . 195 . . 51 LEU CB . 25372 2
336 . 1 1 51 51 LEU CG C 13 27.203 0.0 . 1 . . 198 . . 51 LEU CG . 25372 2
337 . 1 1 51 51 LEU CD1 C 13 24.301 . . 1 . . 197 . . 51 LEU CD1 . 25372 2
338 . 1 1 51 51 LEU CD2 C 13 25.449 0.003 . 1 . . 199 . . 51 LEU CD2 . 25372 2
339 . 1 1 52 52 PHE HA H 1 3.761 0.001 . 1 . . 645 . . 52 PHE HA . 25372 2
340 . 1 1 52 52 PHE HB2 H 1 3.104 0.002 . 2 . . 646 . . 52 PHE HB2 . 25372 2
341 . 1 1 52 52 PHE HB3 H 1 2.967 0.002 . 2 . . 647 . . 52 PHE HB3 . 25372 2
342 . 1 1 52 52 PHE HD1 H 1 6.449 0.002 . 1 . . 886 . . 52 PHE HD1 . 25372 2
343 . 1 1 52 52 PHE HD2 H 1 6.449 0.002 . 1 . . 886 . . 52 PHE HD2 . 25372 2
344 . 1 1 52 52 PHE HE1 H 1 6.939 . . 1 . . 885 . . 52 PHE HE1 . 25372 2
345 . 1 1 52 52 PHE HE2 H 1 6.939 . . 1 . . 885 . . 52 PHE HE2 . 25372 2
346 . 1 1 52 52 PHE CA C 13 62.971 0.0 . 1 . . 201 . . 52 PHE CA . 25372 2
347 . 1 1 52 52 PHE CB C 13 39.315 0.0 . 1 . . 215 . . 52 PHE CB . 25372 2
348 . 1 1 54 54 LYS HE2 H 1 2.753 . . 2 . . 581 . . 54 LYS HE2 . 25372 2
349 . 1 1 54 54 LYS HE3 H 1 2.753 . . 2 . . 964 . . 54 LYS HE3 . 25372 2
350 . 1 1 58 58 LYS HA H 1 3.802 0.0 . 1 . . 604 . . 58 LYS HA . 25372 2
351 . 1 1 58 58 LYS HB2 H 1 1.530 0.009 . 1 . . 606 . . 58 LYS HB2 . 25372 2
352 . 1 1 58 58 LYS HG2 H 1 1.193 . . 2 . . 607 . . 58 LYS HG2 . 25372 2
353 . 1 1 58 58 LYS HG3 H 1 1.187 0.001 . 2 . . 924 . . 58 LYS HG3 . 25372 2
354 . 1 1 58 58 LYS HE2 H 1 2.786 0.001 . 2 . . 605 . . 58 LYS HE2 . 25372 2
355 . 1 1 58 58 LYS HE3 H 1 2.786 . . 2 . . 967 . . 58 LYS HE3 . 25372 2
356 . 1 1 58 58 LYS CA C 13 59.632 0.0 . 1 . . 159 . . 58 LYS CA . 25372 2
357 . 1 1 58 58 LYS CB C 13 32.351 0.011 . 1 . . 382 . . 58 LYS CB . 25372 2
358 . 1 1 58 58 LYS CG C 13 24.385 0.0 . 1 . . 438 . . 58 LYS CG . 25372 2
359 . 1 1 61 61 TYR HA H 1 3.939 0.001 . 1 . . 528 . . 61 TYR HA . 25372 2
360 . 1 1 61 61 TYR HB2 H 1 3.029 0.0 . 2 . . 529 . . 61 TYR HB2 . 25372 2
361 . 1 1 61 61 TYR HB3 H 1 2.957 . . 2 . . 530 . . 61 TYR HB3 . 25372 2
362 . 1 1 61 61 TYR HD1 H 1 6.770 0.001 . 1 . . 887 . . 61 TYR HD1 . 25372 2
363 . 1 1 61 61 TYR HD2 H 1 6.770 0.001 . 1 . . 887 . . 61 TYR HD2 . 25372 2
364 . 1 1 61 61 TYR HE1 H 1 6.656 0.002 . 1 . . 940 . . 61 TYR HE1 . 25372 2
365 . 1 1 61 61 TYR HE2 H 1 6.656 0.002 . 1 . . 940 . . 61 TYR HE2 . 25372 2
366 . 1 1 61 61 TYR CA C 13 61.532 0.0 . 1 . . 424 . . 61 TYR CA . 25372 2
367 . 1 1 62 62 GLN HA H 1 3.498 0.001 . 1 . . 640 . . 62 GLN HA . 25372 2
368 . 1 1 62 62 GLN HB2 H 1 2.104 0.0 . 2 . . 643 . . 62 GLN HB2 . 25372 2
369 . 1 1 62 62 GLN HB3 H 1 1.895 0.0 . 2 . . 644 . . 62 GLN HB3 . 25372 2
370 . 1 1 62 62 GLN HG2 H 1 2.528 0.001 . 2 . . 641 . . 62 GLN HG2 . 25372 2
371 . 1 1 62 62 GLN HG3 H 1 2.360 0.001 . 2 . . 642 . . 62 GLN HG3 . 25372 2
372 . 1 1 62 62 GLN CA C 13 58.939 0.002 . 1 . . 186 . . 62 GLN CA . 25372 2
373 . 1 1 62 62 GLN CB C 13 28.609 . . 1 . . 185 . . 62 GLN CB . 25372 2
374 . 1 1 64 64 THR HA H 1 3.832 . . 1 . . 461 . . 64 THR HA . 25372 2
375 . 1 1 64 64 THR HB H 1 4.015 . . 1 . . 745 . . 64 THR HB . 25372 2
376 . 1 1 64 64 THR HG21 H 1 1.144 . . 1 . . 462 . . 64 THR HG21 . 25372 2
377 . 1 1 64 64 THR HG22 H 1 1.144 . . 1 . . 462 . . 64 THR HG22 . 25372 2
378 . 1 1 64 64 THR HG23 H 1 1.144 . . 1 . . 462 . . 64 THR HG23 . 25372 2
379 . 1 1 64 64 THR CB C 13 68.135 . . 1 . . 270 . . 64 THR CB . 25372 2
380 . 1 1 64 64 THR CG2 C 13 22.780 . . 1 . . 429 . . 64 THR CG2 . 25372 2
381 . 1 1 65 65 MET HA H 1 4.098 0.002 . 1 . . 473 . . 65 MET HA . 25372 2
382 . 1 1 65 65 MET HB2 H 1 1.666 0.002 . 2 . . 475 . . 65 MET HB2 . 25372 2
383 . 1 1 65 65 MET HB3 H 1 1.365 0.001 . 2 . . 938 . . 65 MET HB3 . 25372 2
384 . 1 1 65 65 MET HG2 H 1 2.348 . . 2 . . 474 . . 65 MET HG2 . 25372 2
385 . 1 1 65 65 MET HG3 H 1 2.006 . . 2 . . 908 . . 65 MET HG3 . 25372 2
386 . 1 1 65 65 MET CB C 13 30.938 0.0 . 1 . . 389 . . 65 MET CB . 25372 2
387 . 1 1 66 66 LYS HA H 1 3.769 0.001 . 1 . . 551 . . 66 LYS HA . 25372 2
388 . 1 1 66 66 LYS HB2 H 1 1.725 . . 1 . . 553 . . 66 LYS HB2 . 25372 2
389 . 1 1 66 66 LYS HG2 H 1 1.294 . . 1 . . 555 . . 66 LYS HG2 . 25372 2
390 . 1 1 66 66 LYS HD2 H 1 1.461 . . 2 . . 554 . . 66 LYS HD2 . 25372 2
391 . 1 1 66 66 LYS HD3 H 1 1.551 . . 2 . . 899 . . 66 LYS HD3 . 25372 2
392 . 1 1 66 66 LYS CA C 13 59.404 . . 1 . . 347 . . 66 LYS CA . 25372 2
393 . 1 1 69 69 ILE HA H 1 3.286 0.001 . 1 . . 632 . . 69 ILE HA . 25372 2
394 . 1 1 69 69 ILE HB H 1 1.710 0.001 . 1 . . 633 . . 69 ILE HB . 25372 2
395 . 1 1 69 69 ILE HG13 H 1 1.664 . . 1 . . 797 . . 69 ILE HG13 . 25372 2
396 . 1 1 69 69 ILE HG21 H 1 0.735 0.002 . 1 . . 634 . . 69 ILE HG21 . 25372 2
397 . 1 1 69 69 ILE HG22 H 1 0.735 0.002 . 1 . . 634 . . 69 ILE HG22 . 25372 2
398 . 1 1 69 69 ILE HG23 H 1 0.735 0.002 . 1 . . 634 . . 69 ILE HG23 . 25372 2
399 . 1 1 69 69 ILE HD11 H 1 0.551 . . 1 . . 921 . . 69 ILE HD11 . 25372 2
400 . 1 1 69 69 ILE HD12 H 1 0.551 . . 1 . . 921 . . 69 ILE HD12 . 25372 2
401 . 1 1 69 69 ILE HD13 H 1 0.551 . . 1 . . 921 . . 69 ILE HD13 . 25372 2
402 . 1 1 69 69 ILE CA C 13 66.439 . . 1 . . 266 . . 69 ILE CA . 25372 2
403 . 1 1 69 69 ILE CB C 13 37.834 . . 1 . . 265 . . 69 ILE CB . 25372 2
404 . 1 1 69 69 ILE CG2 C 13 17.878 . . 1 . . 224 . . 69 ILE CG2 . 25372 2
405 . 1 1 72 72 MET HA H 1 4.139 0.0 . 1 . . 673 . . 72 MET HA . 25372 2
406 . 1 1 72 72 MET HB2 H 1 2.052 . . 1 . . 798 . . 72 MET HB2 . 25372 2
407 . 1 1 72 72 MET HG2 H 1 2.485 . . 2 . . 674 . . 72 MET HG2 . 25372 2
408 . 1 1 72 72 MET HG3 H 1 2.353 . . 2 . . 675 . . 72 MET HG3 . 25372 2
409 . 1 1 72 72 MET CA C 13 57.313 . . 1 . . 257 . . 72 MET CA . 25372 2
410 . 1 1 72 72 MET CB C 13 31.937 . . 1 . . 171 . . 72 MET CB . 25372 2
411 . 1 1 73 73 ARG HA H 1 3.620 0.0 . 1 . . 684 . . 73 ARG HA . 25372 2
412 . 1 1 73 73 ARG HD2 H 1 3.073 . . 2 . . 685 . . 73 ARG HD2 . 25372 2
413 . 1 1 73 73 ARG HD3 H 1 3.073 . . 2 . . 972 . . 73 ARG HD3 . 25372 2
414 . 1 1 73 73 ARG CA C 13 60.497 0.001 . 1 . . 946 . . 73 ARG CA . 25372 2
415 . 1 1 75 75 THR HA H 1 3.813 . . 1 . . 668 . . 75 THR HA . 25372 2
416 . 1 1 75 75 THR HB H 1 4.166 0.001 . 1 . . 750 . . 75 THR HB . 25372 2
417 . 1 1 75 75 THR HG21 H 1 1.052 0.001 . 1 . . 669 . . 75 THR HG21 . 25372 2
418 . 1 1 75 75 THR HG22 H 1 1.052 0.001 . 1 . . 669 . . 75 THR HG22 . 25372 2
419 . 1 1 75 75 THR HG23 H 1 1.052 0.001 . 1 . . 669 . . 75 THR HG23 . 25372 2
420 . 1 1 75 75 THR CA C 13 66.236 . . 1 . . 360 . . 75 THR CA . 25372 2
421 . 1 1 76 76 ARG HA H 1 3.596 0.003 . 1 . . 617 . . 76 ARG HA . 25372 2
422 . 1 1 76 76 ARG HB2 H 1 2.108 0.002 . 2 . . 619 . . 76 ARG HB2 . 25372 2
423 . 1 1 76 76 ARG HB3 H 1 2.107 . . 2 . . 751 . . 76 ARG HB3 . 25372 2
424 . 1 1 76 76 ARG HG2 H 1 1.550 . . 2 . . 620 . . 76 ARG HG2 . 25372 2
425 . 1 1 76 76 ARG HG3 H 1 1.270 . . 2 . . 621 . . 76 ARG HG3 . 25372 2
426 . 1 1 76 76 ARG HD2 H 1 3.096 0.001 . 2 . . 618 . . 76 ARG HD2 . 25372 2
427 . 1 1 76 76 ARG HD3 H 1 3.096 . . 2 . . 954 . . 76 ARG HD3 . 25372 2
428 . 1 1 76 76 ARG CA C 13 59.434 0.007 . 1 . . 318 . . 76 ARG CA . 25372 2
429 . 1 1 76 76 ARG CB C 13 29.026 . . 1 . . 328 . . 76 ARG CB . 25372 2
430 . 1 1 79 79 ARG HA H 1 4.012 . . 1 . . 692 . . 79 ARG HA . 25372 2
431 . 1 1 79 79 ARG HB2 H 1 1.743 0.0 . 1 . . 695 . . 79 ARG HB2 . 25372 2
432 . 1 1 79 79 ARG HG2 H 1 1.587 . . 2 . . 696 . . 79 ARG HG2 . 25372 2
433 . 1 1 79 79 ARG HG3 H 1 1.529 . . 2 . . 697 . . 79 ARG HG3 . 25372 2
434 . 1 1 79 79 ARG HD2 H 1 3.084 . . 2 . . 693 . . 79 ARG HD2 . 25372 2
435 . 1 1 79 79 ARG HD3 H 1 3.012 . . 2 . . 694 . . 79 ARG HD3 . 25372 2
436 . 1 1 79 79 ARG CA C 13 56.977 . . 1 . . 180 . . 79 ARG CA . 25372 2
437 . 1 1 79 79 ARG CB C 13 29.317 . . 1 . . 178 . . 79 ARG CB . 25372 2
438 . 1 1 80 80 LYS HA H 1 3.908 . . 1 . . 487 . . 80 LYS HA . 25372 2
439 . 1 1 84 84 VAL HA H 1 4.012 0.001 . 1 . . 534 . . 84 VAL HA . 25372 2
440 . 1 1 84 84 VAL HB H 1 1.997 0.001 . 1 . . 535 . . 84 VAL HB . 25372 2
441 . 1 1 84 84 VAL HG11 H 1 0.792 0.003 . 1 . . 536 . . 84 VAL HG11 . 25372 2
442 . 1 1 84 84 VAL HG12 H 1 0.792 0.003 . 1 . . 536 . . 84 VAL HG12 . 25372 2
443 . 1 1 84 84 VAL HG13 H 1 0.792 0.003 . 1 . . 536 . . 84 VAL HG13 . 25372 2
444 . 1 1 84 84 VAL CA C 13 62.602 . . 1 . . 284 . . 84 VAL CA . 25372 2
445 . 1 1 84 84 VAL CB C 13 32.611 . . 1 . . 282 . . 84 VAL CB . 25372 2
446 . 1 1 84 84 VAL CG1 C 13 21.087 . . 1 . . 285 . . 84 VAL CG1 . 25372 2
447 . 1 1 84 84 VAL CG2 C 13 21.087 . . 1 . . 286 . . 84 VAL CG2 . 25372 2
stop_
save_