Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 27532
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CondSet1
_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
1 '2D 1H-15N HSQC/HMQC' . . . 27532 1
2 '2D 1H-13C HSQC/HMQC' . . . 27532 1
4 '3D HNCA' . . . 27532 1
5 '3D HNCACB' . . . 27532 1
6 '3D CBCA(CO)NH' . . . 27532 1
7 '3D HNCO' . . . 27532 1
8 'HN(CA)CO (H[N[ca[CO]]])' . . . 27532 1
9 'CC(CO)NH (HNco_C.relayed)' . . . 27532 1
10 '3D H(CCO)NH' . . . 27532 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CcpNmr_Analysis . . 27532 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 SER C C 13 173.705 . . 1 . . 818 . . 2 SER C . 27532 1
2 . 1 1 2 2 SER CA C 13 58.092 . . 1 . . 817 . . 2 SER CA . 27532 1
3 . 1 1 2 2 SER CB C 13 64.060 . . 1 . . 816 . . 2 SER CB . 27532 1
4 . 1 1 3 3 SER H H 1 7.929 0.004 . 1 . . 147 . . 3 SER H . 27532 1
5 . 1 1 3 3 SER HA H 1 4.150 0.005 . 1 . . 1084 . . 3 SER HA . 27532 1
6 . 1 1 3 3 SER HB2 H 1 3.720 0.006 . 1 . . 1085 . . 3 SER HB2 . 27532 1
7 . 1 1 3 3 SER C C 13 175.874 . . 1 . . 551 . . 3 SER C . 27532 1
8 . 1 1 3 3 SER CA C 13 60.005 0.005 . 1 . . 317 . . 3 SER CA . 27532 1
9 . 1 1 3 3 SER CB C 13 64.671 0.008 . 1 . . 318 . . 3 SER CB . 27532 1
10 . 1 1 3 3 SER N N 15 122.921 0.025 . 1 . . 148 . . 3 SER N . 27532 1
11 . 1 1 4 4 MET HA H 1 4.453 0.001 . 1 . . 1068 . . 4 MET HA . 27532 1
12 . 1 1 4 4 MET CA C 13 54.380 0.033 . 1 . . 1069 . . 4 MET CA . 27532 1
13 . 1 1 5 5 ARG H H 1 8.065 0.004 . 1 . . 543 . . 5 ARG H . 27532 1
14 . 1 1 5 5 ARG HA H 1 4.249 0.003 . 1 . . 1064 . . 5 ARG HA . 27532 1
15 . 1 1 5 5 ARG HB2 H 1 1.669 0.007 . 2 . . 826 . . 5 ARG HB2 . 27532 1
16 . 1 1 5 5 ARG HB3 H 1 1.480 0.001 . 2 . . 1065 . . 5 ARG HB3 . 27532 1
17 . 1 1 5 5 ARG HD2 H 1 3.067 0.002 . 1 . . 1066 . . 5 ARG HD2 . 27532 1
18 . 1 1 5 5 ARG C C 13 173.897 0.028 . 1 . . 823 . . 5 ARG C . 27532 1
19 . 1 1 5 5 ARG CA C 13 55.857 0.013 . 1 . . 546 . . 5 ARG CA . 27532 1
20 . 1 1 5 5 ARG CB C 13 30.886 0.048 . 1 . . 545 . . 5 ARG CB . 27532 1
21 . 1 1 5 5 ARG CD C 13 43.286 0.0 . 1 . . 1067 . . 5 ARG CD . 27532 1
22 . 1 1 5 5 ARG N N 15 120.983 0.11 . 1 . . 544 . . 5 ARG N . 27532 1
23 . 1 1 6 6 ALA H H 1 7.813 0.004 . 1 . . 517 . . 6 ALA H . 27532 1
24 . 1 1 6 6 ALA HB1 H 1 1.213 0.009 . 1 . . 1071 . . 6 ALA HB1 . 27532 1
25 . 1 1 6 6 ALA HB2 H 1 1.213 0.009 . 1 . . 1071 . . 6 ALA HB2 . 27532 1
26 . 1 1 6 6 ALA HB3 H 1 1.213 0.009 . 1 . . 1071 . . 6 ALA HB3 . 27532 1
27 . 1 1 6 6 ALA C C 13 182.405 . . 1 . . 521 . . 6 ALA C . 27532 1
28 . 1 1 6 6 ALA CA C 13 53.792 0.056 . 1 . . 519 . . 6 ALA CA . 27532 1
29 . 1 1 6 6 ALA CB C 13 19.911 0.004 . 1 . . 520 . . 6 ALA CB . 27532 1
30 . 1 1 6 6 ALA N N 15 130.787 0.025 . 1 . . 518 . . 6 ALA N . 27532 1
31 . 1 1 8 8 ARG H H 1 7.664 . . 1 . . 1101 . . 8 ARG H . 27532 1
32 . 1 1 8 8 ARG C C 13 179.380 . . 1 . . 1099 . . 8 ARG C . 27532 1
33 . 1 1 8 8 ARG CA C 13 58.870 0.006 . 1 . . 1100 . . 8 ARG CA . 27532 1
34 . 1 1 8 8 ARG N N 15 119.200 . . 1 . . 1102 . . 8 ARG N . 27532 1
35 . 1 1 9 9 VAL H H 1 8.350 0.011 . 1 . . 25 . . 9 VAL H . 27532 1
36 . 1 1 9 9 VAL HA H 1 3.656 0.013 . 1 . . 822 . . 9 VAL HA . 27532 1
37 . 1 1 9 9 VAL HB H 1 1.839 0.009 . 1 . . 1072 . . 9 VAL HB . 27532 1
38 . 1 1 9 9 VAL C C 13 178.448 0.019 . 1 . . 819 . . 9 VAL C . 27532 1
39 . 1 1 9 9 VAL CA C 13 66.413 0.07 . 1 . . 820 . . 9 VAL CA . 27532 1
40 . 1 1 9 9 VAL CB C 13 31.153 0.004 . 1 . . 821 . . 9 VAL CB . 27532 1
41 . 1 1 9 9 VAL N N 15 121.119 0.052 . 1 . . 26 . . 9 VAL N . 27532 1
42 . 1 1 10 10 GLY H H 1 8.377 0.016 . 1 . . 103 . . 10 GLY H . 27532 1
43 . 1 1 10 10 GLY HA2 H 1 3.887 0.009 . 2 . . 762 . . 10 GLY HA2 . 27532 1
44 . 1 1 10 10 GLY HA3 H 1 3.429 0.008 . 2 . . 763 . . 10 GLY HA3 . 27532 1
45 . 1 1 10 10 GLY C C 13 175.396 . . 1 . . 468 . . 10 GLY C . 27532 1
46 . 1 1 10 10 GLY CA C 13 47.930 0.025 . 1 . . 297 . . 10 GLY CA . 27532 1
47 . 1 1 10 10 GLY N N 15 108.338 0.111 . 1 . . 104 . . 10 GLY N . 27532 1
48 . 1 1 11 11 GLU H H 1 7.765 0.014 . 1 . . 3 . . 11 GLU H . 27532 1
49 . 1 1 11 11 GLU HA H 1 4.002 0.012 . 1 . . 760 . . 11 GLU HA . 27532 1
50 . 1 1 11 11 GLU HB2 H 1 2.064 0.031 . 2 . . 761 . . 11 GLU HB2 . 27532 1
51 . 1 1 11 11 GLU HB3 H 1 2.326 0.04 . 2 . . 838 . . 11 GLU HB3 . 27532 1
52 . 1 1 11 11 GLU C C 13 179.271 0.016 . 1 . . 374 . . 11 GLU C . 27532 1
53 . 1 1 11 11 GLU CA C 13 59.352 0.012 . 1 . . 255 . . 11 GLU CA . 27532 1
54 . 1 1 11 11 GLU CB C 13 29.400 0.012 . 1 . . 464 . . 11 GLU CB . 27532 1
55 . 1 1 11 11 GLU N N 15 121.337 0.058 . 1 . . 4 . . 11 GLU N . 27532 1
56 . 1 1 12 12 GLN H H 1 7.670 0.006 . 1 . . 185 . . 12 GLN H . 27532 1
57 . 1 1 12 12 GLN HA H 1 4.034 0.017 . 1 . . 758 . . 12 GLN HA . 27532 1
58 . 1 1 12 12 GLN HB2 H 1 2.038 0.027 . 1 . . 759 . . 12 GLN HB2 . 27532 1
59 . 1 1 12 12 GLN HE21 H 1 7.704 0.006 . 1 . . 107 . . 12 GLN HE21 . 27532 1
60 . 1 1 12 12 GLN HE22 H 1 6.728 0.003 . 1 . . 143 . . 12 GLN HE22 . 27532 1
61 . 1 1 12 12 GLN C C 13 178.439 0.001 . 1 . . 467 . . 12 GLN C . 27532 1
62 . 1 1 12 12 GLN CA C 13 58.796 0.015 . 1 . . 342 . . 12 GLN CA . 27532 1
63 . 1 1 12 12 GLN CB C 13 28.061 0.032 . 1 . . 341 . . 12 GLN CB . 27532 1
64 . 1 1 12 12 GLN CG C 13 33.390 0.037 . 1 . . 589 . . 12 GLN CG . 27532 1
65 . 1 1 12 12 GLN CD C 13 179.344 0.007 . 1 . . 590 . . 12 GLN CD . 27532 1
66 . 1 1 12 12 GLN N N 15 119.752 0.053 . 1 . . 186 . . 12 GLN N . 27532 1
67 . 1 1 12 12 GLN NE2 N 15 110.766 0.053 . 1 . . 108 . . 12 GLN NE2 . 27532 1
68 . 1 1 13 13 MET H H 1 8.863 0.007 . 1 . . 11 . . 13 MET H . 27532 1
69 . 1 1 13 13 MET HA H 1 3.773 0.01 . 1 . . 756 . . 13 MET HA . 27532 1
70 . 1 1 13 13 MET HB2 H 1 1.793 0.01 . 1 . . 757 . . 13 MET HB2 . 27532 1
71 . 1 1 13 13 MET C C 13 177.286 0.01 . 1 . . 376 . . 13 MET C . 27532 1
72 . 1 1 13 13 MET CA C 13 60.360 0.016 . 1 . . 258 . . 13 MET CA . 27532 1
73 . 1 1 13 13 MET CB C 13 33.350 0.002 . 1 . . 257 . . 13 MET CB . 27532 1
74 . 1 1 13 13 MET N N 15 118.480 0.07 . 1 . . 12 . . 13 MET N . 27532 1
75 . 1 1 14 14 LYS H H 1 8.235 0.008 . 1 . . 213 . . 14 LYS H . 27532 1
76 . 1 1 14 14 LYS HA H 1 3.529 0.008 . 1 . . 755 . . 14 LYS HA . 27532 1
77 . 1 1 14 14 LYS C C 13 176.585 0.008 . 1 . . 433 . . 14 LYS C . 27532 1
78 . 1 1 14 14 LYS CA C 13 60.714 0.007 . 1 . . 462 . . 14 LYS CA . 27532 1
79 . 1 1 14 14 LYS CB C 13 32.532 . . 1 . . 463 . . 14 LYS CB . 27532 1
80 . 1 1 14 14 LYS N N 15 119.456 0.059 . 1 . . 214 . . 14 LYS N . 27532 1
81 . 1 1 15 15 LYS H H 1 7.051 0.007 . 1 . . 119 . . 15 LYS H . 27532 1
82 . 1 1 15 15 LYS HA H 1 3.926 0.013 . 1 . . 753 . . 15 LYS HA . 27532 1
83 . 1 1 15 15 LYS HB2 H 1 1.903 0.027 . 1 . . 754 . . 15 LYS HB2 . 27532 1
84 . 1 1 15 15 LYS C C 13 180.136 0.0 . 1 . . 402 . . 15 LYS C . 27532 1
85 . 1 1 15 15 LYS CA C 13 59.510 0.011 . 1 . . 301 . . 15 LYS CA . 27532 1
86 . 1 1 15 15 LYS CB C 13 32.508 0.107 . 1 . . 461 . . 15 LYS CB . 27532 1
87 . 1 1 15 15 LYS N N 15 116.901 0.036 . 1 . . 120 . . 15 LYS N . 27532 1
88 . 1 1 16 16 GLU H H 1 8.249 0.013 . 1 . . 109 . . 16 GLU H . 27532 1
89 . 1 1 16 16 GLU HA H 1 4.427 0.011 . 1 . . 751 . . 16 GLU HA . 27532 1
90 . 1 1 16 16 GLU HB2 H 1 1.658 0.032 . 1 . . 752 . . 16 GLU HB2 . 27532 1
91 . 1 1 16 16 GLU C C 13 179.540 0.015 . 1 . . 399 . . 16 GLU C . 27532 1
92 . 1 1 16 16 GLU CA C 13 57.934 0.079 . 1 . . 298 . . 16 GLU CA . 27532 1
93 . 1 1 16 16 GLU CB C 13 29.645 0.003 . 1 . . 299 . . 16 GLU CB . 27532 1
94 . 1 1 16 16 GLU N N 15 117.125 0.07 . 1 . . 110 . . 16 GLU N . 27532 1
95 . 1 1 17 17 LEU H H 1 9.052 0.006 . 1 . . 31 . . 17 LEU H . 27532 1
96 . 1 1 17 17 LEU HA H 1 3.829 0.009 . 1 . . 839 . . 17 LEU HA . 27532 1
97 . 1 1 17 17 LEU HB2 H 1 1.065 0.016 . 1 . . 750 . . 17 LEU HB2 . 27532 1
98 . 1 1 17 17 LEU HD11 H 1 0.691 0.014 . 1 . . 1074 . . 17 LEU HD11 . 27532 1
99 . 1 1 17 17 LEU HD12 H 1 0.691 0.014 . 1 . . 1074 . . 17 LEU HD12 . 27532 1
100 . 1 1 17 17 LEU HD13 H 1 0.691 0.014 . 1 . . 1074 . . 17 LEU HD13 . 27532 1
101 . 1 1 17 17 LEU C C 13 178.742 0.001 . 1 . . 381 . . 17 LEU C . 27532 1
102 . 1 1 17 17 LEU CA C 13 58.088 0.041 . 1 . . 465 . . 17 LEU CA . 27532 1
103 . 1 1 17 17 LEU CB C 13 42.681 0.032 . 1 . . 460 . . 17 LEU CB . 27532 1
104 . 1 1 17 17 LEU N N 15 117.794 0.049 . 1 . . 32 . . 17 LEU N . 27532 1
105 . 1 1 18 18 MET H H 1 7.671 0.006 . 1 . . 99 . . 18 MET H . 27532 1
106 . 1 1 18 18 MET HA H 1 3.905 0.006 . 1 . . 748 . . 18 MET HA . 27532 1
107 . 1 1 18 18 MET HB2 H 1 2.072 0.022 . 1 . . 749 . . 18 MET HB2 . 27532 1
108 . 1 1 18 18 MET C C 13 177.611 0.006 . 1 . . 397 . . 18 MET C . 27532 1
109 . 1 1 18 18 MET CA C 13 59.044 0.011 . 1 . . 295 . . 18 MET CA . 27532 1
110 . 1 1 18 18 MET CB C 13 32.066 0.06 . 1 . . 296 . . 18 MET CB . 27532 1
111 . 1 1 18 18 MET N N 15 117.205 0.051 . 1 . . 100 . . 18 MET N . 27532 1
112 . 1 1 19 19 ASP H H 1 7.093 0.009 . 1 . . 21 . . 19 ASP H . 27532 1
113 . 1 1 19 19 ASP HA H 1 4.399 0.011 . 1 . . 747 . . 19 ASP HA . 27532 1
114 . 1 1 19 19 ASP HB2 H 1 2.783 0.022 . 1 . . 840 . . 19 ASP HB2 . 27532 1
115 . 1 1 19 19 ASP C C 13 178.085 0.014 . 1 . . 378 . . 19 ASP C . 27532 1
116 . 1 1 19 19 ASP CA C 13 57.350 0.056 . 1 . . 264 . . 19 ASP CA . 27532 1
117 . 1 1 19 19 ASP CB C 13 42.587 0.043 . 1 . . 263 . . 19 ASP CB . 27532 1
118 . 1 1 19 19 ASP N N 15 117.951 0.077 . 1 . . 22 . . 19 ASP N . 27532 1
119 . 1 1 20 20 ILE H H 1 8.740 0.009 . 1 . . 15 . . 20 ILE H . 27532 1
120 . 1 1 20 20 ILE HA H 1 3.329 0.006 . 1 . . 949 . . 20 ILE HA . 27532 1
121 . 1 1 20 20 ILE C C 13 178.459 0.021 . 1 . . 377 . . 20 ILE C . 27532 1
122 . 1 1 20 20 ILE CA C 13 65.593 0.069 . 1 . . 261 . . 20 ILE CA . 27532 1
123 . 1 1 20 20 ILE CB C 13 39.255 0.026 . 1 . . 262 . . 20 ILE CB . 27532 1
124 . 1 1 20 20 ILE N N 15 118.521 0.074 . 1 . . 16 . . 20 ILE N . 27532 1
125 . 1 1 21 21 ILE H H 1 8.797 0.01 . 1 . . 49 . . 21 ILE H . 27532 1
126 . 1 1 21 21 ILE C C 13 176.400 0.033 . 1 . . 385 . . 21 ILE C . 27532 1
127 . 1 1 21 21 ILE CA C 13 66.108 0.052 . 1 . . 276 . . 21 ILE CA . 27532 1
128 . 1 1 21 21 ILE CB C 13 37.728 . . 1 . . 277 . . 21 ILE CB . 27532 1
129 . 1 1 21 21 ILE N N 15 117.602 0.072 . 1 . . 50 . . 21 ILE N . 27532 1
130 . 1 1 22 22 ASN H H 1 7.519 0.014 . 1 . . 139 . . 22 ASN H . 27532 1
131 . 1 1 22 22 ASN HA H 1 4.430 0.012 . 1 . . 745 . . 22 ASN HA . 27532 1
132 . 1 1 22 22 ASN HB2 H 1 2.493 0.018 . 1 . . 746 . . 22 ASN HB2 . 27532 1
133 . 1 1 22 22 ASN HD21 H 1 8.142 0.014 . 1 . . 33 . . 22 ASN HD21 . 27532 1
134 . 1 1 22 22 ASN HD22 H 1 6.922 0.009 . 1 . . 79 . . 22 ASN HD22 . 27532 1
135 . 1 1 22 22 ASN C C 13 176.589 0.024 . 1 . . 459 . . 22 ASN C . 27532 1
136 . 1 1 22 22 ASN CA C 13 56.001 0.012 . 1 . . 458 . . 22 ASN CA . 27532 1
137 . 1 1 22 22 ASN CB C 13 38.865 0.052 . 1 . . 457 . . 22 ASN CB . 27532 1
138 . 1 1 22 22 ASN CG C 13 176.915 . . 1 . . 942 . . 22 ASN CG . 27532 1
139 . 1 1 22 22 ASN N N 15 112.347 0.071 . 1 . . 140 . . 22 ASN N . 27532 1
140 . 1 1 22 22 ASN ND2 N 15 116.164 0.125 . 1 . . 80 . . 22 ASN ND2 . 27532 1
141 . 1 1 23 23 ASN H H 1 8.005 0.011 . 1 . . 235 . . 23 ASN H . 27532 1
142 . 1 1 23 23 ASN HA H 1 4.979 0.009 . 1 . . 743 . . 23 ASN HA . 27532 1
143 . 1 1 23 23 ASN HB2 H 1 2.615 0.02 . 2 . . 744 . . 23 ASN HB2 . 27532 1
144 . 1 1 23 23 ASN HB3 H 1 2.925 0.016 . 2 . . 841 . . 23 ASN HB3 . 27532 1
145 . 1 1 23 23 ASN HD21 H 1 6.928 0.013 . 1 . . 47 . . 23 ASN HD21 . 27532 1
146 . 1 1 23 23 ASN HD22 H 1 8.141 0.013 . 1 . . 153 . . 23 ASN HD22 . 27532 1
147 . 1 1 23 23 ASN C C 13 175.994 0.006 . 1 . . 436 . . 23 ASN C . 27532 1
148 . 1 1 23 23 ASN CA C 13 54.338 0.027 . 1 . . 361 . . 23 ASN CA . 27532 1
149 . 1 1 23 23 ASN CB C 13 40.301 0.015 . 1 . . 362 . . 23 ASN CB . 27532 1
150 . 1 1 23 23 ASN CG C 13 176.856 0.014 . 1 . . 941 . . 23 ASN CG . 27532 1
151 . 1 1 23 23 ASN N N 15 112.409 0.042 . 1 . . 236 . . 23 ASN N . 27532 1
152 . 1 1 23 23 ASN ND2 N 15 115.815 0.144 . 1 . . 154 . . 23 ASN ND2 . 27532 1
153 . 1 1 24 24 LYS H H 1 7.855 0.009 . 1 . . 141 . . 24 LYS H . 27532 1
154 . 1 1 24 24 LYS HA H 1 4.565 0.007 . 1 . . 741 . . 24 LYS HA . 27532 1
155 . 1 1 24 24 LYS HB2 H 1 1.962 0.016 . 2 . . 742 . . 24 LYS HB2 . 27532 1
156 . 1 1 24 24 LYS HB3 H 1 2.235 0.0 . 2 . . 842 . . 24 LYS HB3 . 27532 1
157 . 1 1 24 24 LYS C C 13 176.430 0.024 . 1 . . 406 . . 24 LYS C . 27532 1
158 . 1 1 24 24 LYS CA C 13 55.985 0.029 . 1 . . 313 . . 24 LYS CA . 27532 1
159 . 1 1 24 24 LYS CB C 13 33.304 0.041 . 1 . . 314 . . 24 LYS CB . 27532 1
160 . 1 1 24 24 LYS CG C 13 24.729 . . 1 . . 739 . . 24 LYS CG . 27532 1
161 . 1 1 24 24 LYS N N 15 116.396 0.04 . 1 . . 142 . . 24 LYS N . 27532 1
162 . 1 1 25 25 VAL H H 1 7.390 0.007 . 1 . . 157 . . 25 VAL H . 27532 1
163 . 1 1 25 25 VAL HA H 1 3.664 0.012 . 1 . . 740 . . 25 VAL HA . 27532 1
164 . 1 1 25 25 VAL HB H 1 2.355 0.005 . 1 . . 843 . . 25 VAL HB . 27532 1
165 . 1 1 25 25 VAL HG11 H 1 0.737 0.008 . 2 . . 1075 . . 25 VAL HG11 . 27532 1
166 . 1 1 25 25 VAL HG12 H 1 0.737 0.008 . 2 . . 1075 . . 25 VAL HG12 . 27532 1
167 . 1 1 25 25 VAL HG13 H 1 0.737 0.008 . 2 . . 1075 . . 25 VAL HG13 . 27532 1
168 . 1 1 25 25 VAL HG21 H 1 0.888 0.005 . 2 . . 1076 . . 25 VAL HG21 . 27532 1
169 . 1 1 25 25 VAL HG22 H 1 0.888 0.005 . 2 . . 1076 . . 25 VAL HG22 . 27532 1
170 . 1 1 25 25 VAL HG23 H 1 0.888 0.005 . 2 . . 1076 . . 25 VAL HG23 . 27532 1
171 . 1 1 25 25 VAL C C 13 175.384 . . 1 . . 412 . . 25 VAL C . 27532 1
172 . 1 1 25 25 VAL CA C 13 63.662 0.005 . 1 . . 324 . . 25 VAL CA . 27532 1
173 . 1 1 25 25 VAL CB C 13 31.304 0.02 . 1 . . 325 . . 25 VAL CB . 27532 1
174 . 1 1 25 25 VAL N N 15 119.935 0.029 . 1 . . 158 . . 25 VAL N . 27532 1
175 . 1 1 28 28 PRO HA H 1 4.282 0.008 . 1 . . 737 . . 28 PRO HA . 27532 1
176 . 1 1 28 28 PRO HB2 H 1 2.260 0.005 . 1 . . 738 . . 28 PRO HB2 . 27532 1
177 . 1 1 28 28 PRO C C 13 177.332 . . 1 . . 491 . . 28 PRO C . 27532 1
178 . 1 1 28 28 PRO CA C 13 64.110 0.044 . 1 . . 489 . . 28 PRO CA . 27532 1
179 . 1 1 28 28 PRO CB C 13 32.013 0.0 . 1 . . 490 . . 28 PRO CB . 27532 1
180 . 1 1 28 28 PRO CG C 13 27.054 . . 1 . . 736 . . 28 PRO CG . 27532 1
181 . 1 1 29 29 ARG H H 1 8.535 0.004 . 1 . . 127 . . 29 ARG H . 27532 1
182 . 1 1 29 29 ARG HA H 1 3.993 0.005 . 1 . . 734 . . 29 ARG HA . 27532 1
183 . 1 1 29 29 ARG HB2 H 1 1.613 0.009 . 2 . . 735 . . 29 ARG HB2 . 27532 1
184 . 1 1 29 29 ARG HB3 H 1 1.914 0.0 . 2 . . 844 . . 29 ARG HB3 . 27532 1
185 . 1 1 29 29 ARG HD2 H 1 2.931 0.002 . 1 . . 947 . . 29 ARG HD2 . 27532 1
186 . 1 1 29 29 ARG HE H 1 7.699 0.007 . 1 . . 23 . . 29 ARG HE . 27532 1
187 . 1 1 29 29 ARG HH11 H 1 6.725 0.004 . 1 . . 948 . . 29 ARG HH11 . 27532 1
188 . 1 1 29 29 ARG C C 13 176.633 0.013 . 1 . . 404 . . 29 ARG C . 27532 1
189 . 1 1 29 29 ARG CA C 13 56.816 0.043 . 1 . . 305 . . 29 ARG CA . 27532 1
190 . 1 1 29 29 ARG CB C 13 30.585 0.03 . 1 . . 304 . . 29 ARG CB . 27532 1
191 . 1 1 29 29 ARG N N 15 116.821 0.04 . 1 . . 128 . . 29 ARG N . 27532 1
192 . 1 1 29 29 ARG NE N 15 111.602 0.195 . 1 . . 24 . . 29 ARG NE . 27532 1
193 . 1 1 30 30 VAL H H 1 7.443 0.007 . 1 . . 73 . . 30 VAL H . 27532 1
194 . 1 1 30 30 VAL HA H 1 3.718 0.01 . 1 . . 732 . . 30 VAL HA . 27532 1
195 . 1 1 30 30 VAL HB H 1 2.001 0.027 . 1 . . 733 . . 30 VAL HB . 27532 1
196 . 1 1 30 30 VAL HG11 H 1 0.770 0.007 . 1 . . 845 . . 30 VAL HG11 . 27532 1
197 . 1 1 30 30 VAL HG12 H 1 0.770 0.007 . 1 . . 845 . . 30 VAL HG12 . 27532 1
198 . 1 1 30 30 VAL HG13 H 1 0.770 0.007 . 1 . . 845 . . 30 VAL HG13 . 27532 1
199 . 1 1 30 30 VAL C C 13 175.658 0.008 . 1 . . 393 . . 30 VAL C . 27532 1
200 . 1 1 30 30 VAL CA C 13 63.322 0.056 . 1 . . 284 . . 30 VAL CA . 27532 1
201 . 1 1 30 30 VAL CB C 13 31.917 0.047 . 1 . . 285 . . 30 VAL CB . 27532 1
202 . 1 1 30 30 VAL CG1 C 13 21.806 . . 1 . . 731 . . 30 VAL CG1 . 27532 1
203 . 1 1 30 30 VAL N N 15 117.585 0.03 . 1 . . 74 . . 30 VAL N . 27532 1
204 . 1 1 31 31 GLY H H 1 7.878 0.004 . 1 . . 29 . . 31 GLY H . 27532 1
205 . 1 1 31 31 GLY HA2 H 1 3.523 0.005 . 2 . . 729 . . 31 GLY HA2 . 27532 1
206 . 1 1 31 31 GLY HA3 H 1 3.921 0.013 . 2 . . 730 . . 31 GLY HA3 . 27532 1
207 . 1 1 31 31 GLY C C 13 172.363 0.014 . 1 . . 380 . . 31 GLY C . 27532 1
208 . 1 1 31 31 GLY CA C 13 44.555 0.029 . 1 . . 266 . . 31 GLY CA . 27532 1
209 . 1 1 31 31 GLY N N 15 111.589 0.03 . 1 . . 30 . . 31 GLY N . 27532 1
210 . 1 1 32 32 PHE H H 1 8.104 0.004 . 1 . . 129 . . 32 PHE H . 27532 1
211 . 1 1 32 32 PHE HA H 1 4.317 0.006 . 1 . . 727 . . 32 PHE HA . 27532 1
212 . 1 1 32 32 PHE HB2 H 1 2.888 0.01 . 2 . . 728 . . 32 PHE HB2 . 27532 1
213 . 1 1 32 32 PHE HB3 H 1 2.980 0.0 . 2 . . 846 . . 32 PHE HB3 . 27532 1
214 . 1 1 32 32 PHE C C 13 175.690 0.011 . 1 . . 486 . . 32 PHE C . 27532 1
215 . 1 1 32 32 PHE CA C 13 58.672 0.028 . 1 . . 307 . . 32 PHE CA . 27532 1
216 . 1 1 32 32 PHE CB C 13 39.305 0.019 . 1 . . 306 . . 32 PHE CB . 27532 1
217 . 1 1 32 32 PHE N N 15 120.030 0.059 . 1 . . 130 . . 32 PHE N . 27532 1
218 . 1 1 33 33 ILE H H 1 8.354 0.01 . 1 . . 41 . . 33 ILE H . 27532 1
219 . 1 1 33 33 ILE HA H 1 4.491 0.01 . 1 . . 725 . . 33 ILE HA . 27532 1
220 . 1 1 33 33 ILE HB H 1 1.546 0.02 . 1 . . 726 . . 33 ILE HB . 27532 1
221 . 1 1 33 33 ILE C C 13 174.824 0.013 . 1 . . 383 . . 33 ILE C . 27532 1
222 . 1 1 33 33 ILE CA C 13 60.006 0.04 . 1 . . 269 . . 33 ILE CA . 27532 1
223 . 1 1 33 33 ILE CB C 13 40.417 0.005 . 1 . . 268 . . 33 ILE CB . 27532 1
224 . 1 1 33 33 ILE CG2 C 13 18.912 . . 1 . . 724 . . 33 ILE CG2 . 27532 1
225 . 1 1 33 33 ILE N N 15 127.358 0.168 . 1 . . 42 . . 33 ILE N . 27532 1
226 . 1 1 34 34 THR H H 1 8.170 0.01 . 1 . . 111 . . 34 THR H . 27532 1
227 . 1 1 34 34 THR HA H 1 4.210 0.015 . 1 . . 722 . . 34 THR HA . 27532 1
228 . 1 1 34 34 THR HB H 1 3.893 0.01 . 1 . . 723 . . 34 THR HB . 27532 1
229 . 1 1 34 34 THR HG21 H 1 0.940 0.016 . 1 . . 1077 . . 34 THR HG1 . 27532 1
230 . 1 1 34 34 THR HG22 H 1 0.940 0.016 . 1 . . 1077 . . 34 THR HG1 . 27532 1
231 . 1 1 34 34 THR HG23 H 1 0.940 0.016 . 1 . . 1077 . . 34 THR HG1 . 27532 1
232 . 1 1 34 34 THR C C 13 173.294 0.012 . 1 . . 400 . . 34 THR C . 27532 1
233 . 1 1 34 34 THR CA C 13 62.157 0.072 . 1 . . 300 . . 34 THR CA . 27532 1
234 . 1 1 34 34 THR CB C 13 70.245 0.041 . 1 . . 487 . . 34 THR CB . 27532 1
235 . 1 1 34 34 THR N N 15 120.299 0.087 . 1 . . 112 . . 34 THR N . 27532 1
236 . 1 1 35 35 ILE H H 1 7.907 0.007 . 1 . . 117 . . 35 ILE H . 27532 1
237 . 1 1 35 35 ILE HA H 1 4.528 0.018 . 1 . . 720 . . 35 ILE HA . 27532 1
238 . 1 1 35 35 ILE HB H 1 1.679 0.022 . 1 . . 721 . . 35 ILE HB . 27532 1
239 . 1 1 35 35 ILE C C 13 175.638 0.002 . 1 . . 492 . . 35 ILE C . 27532 1
240 . 1 1 35 35 ILE CA C 13 59.846 0.054 . 1 . . 328 . . 35 ILE CA . 27532 1
241 . 1 1 35 35 ILE CB C 13 37.227 0.075 . 1 . . 493 . . 35 ILE CB . 27532 1
242 . 1 1 35 35 ILE CG2 C 13 18.542 . . 1 . . 719 . . 35 ILE CG2 . 27532 1
243 . 1 1 35 35 ILE N N 15 127.432 0.124 . 1 . . 118 . . 35 ILE N . 27532 1
244 . 1 1 36 36 THR H H 1 8.948 0.01 . 1 . . 63 . . 36 THR H . 27532 1
245 . 1 1 36 36 THR HA H 1 4.079 0.01 . 1 . . 716 . . 36 THR HA . 27532 1
246 . 1 1 36 36 THR HB H 1 3.980 0.018 . 1 . . 717 . . 36 THR HB . 27532 1
247 . 1 1 36 36 THR HG21 H 1 0.956 0.009 . 1 . . 849 . . 36 THR HG21 . 27532 1
248 . 1 1 36 36 THR HG22 H 1 0.956 0.009 . 1 . . 849 . . 36 THR HG22 . 27532 1
249 . 1 1 36 36 THR HG23 H 1 0.956 0.009 . 1 . . 849 . . 36 THR HG23 . 27532 1
250 . 1 1 36 36 THR C C 13 176.005 0.009 . 1 . . 391 . . 36 THR C . 27532 1
251 . 1 1 36 36 THR CA C 13 62.663 0.012 . 1 . . 280 . . 36 THR CA . 27532 1
252 . 1 1 36 36 THR CB C 13 68.012 0.062 . 1 . . 279 . . 36 THR CB . 27532 1
253 . 1 1 36 36 THR CG2 C 13 23.027 0.015 . 1 . . 718 . . 36 THR CG2 . 27532 1
254 . 1 1 36 36 THR N N 15 120.800 0.047 . 1 . . 64 . . 36 THR N . 27532 1
255 . 1 1 37 37 ASP H H 1 7.567 0.005 . 1 . . 179 . . 37 ASP H . 27532 1
256 . 1 1 37 37 ASP HA H 1 4.683 0.008 . 1 . . 715 . . 37 ASP HA . 27532 1
257 . 1 1 37 37 ASP HB2 H 1 2.454 0.021 . 2 . . 713 . . 37 ASP HB2 . 27532 1
258 . 1 1 37 37 ASP HB3 H 1 2.231 0.014 . 2 . . 714 . . 37 ASP HB3 . 27532 1
259 . 1 1 37 37 ASP C C 13 173.814 0.003 . 1 . . 419 . . 37 ASP C . 27532 1
260 . 1 1 37 37 ASP CA C 13 54.298 0.025 . 1 . . 340 . . 37 ASP CA . 27532 1
261 . 1 1 37 37 ASP CB C 13 44.497 0.029 . 1 . . 339 . . 37 ASP CB . 27532 1
262 . 1 1 37 37 ASP N N 15 119.790 0.025 . 1 . . 180 . . 37 ASP N . 27532 1
263 . 1 1 38 38 VAL H H 1 8.365 0.01 . 1 . . 245 . . 38 VAL H . 27532 1
264 . 1 1 38 38 VAL HA H 1 4.812 0.009 . 1 . . 712 . . 38 VAL HA . 27532 1
265 . 1 1 38 38 VAL HB H 1 2.035 0.003 . 1 . . 851 . . 38 VAL HB . 27532 1
266 . 1 1 38 38 VAL HG11 H 1 0.728 0.007 . 1 . . 1073 . . 38 VAL HG11 . 27532 1
267 . 1 1 38 38 VAL HG12 H 1 0.728 0.007 . 1 . . 1073 . . 38 VAL HG12 . 27532 1
268 . 1 1 38 38 VAL HG13 H 1 0.728 0.007 . 1 . . 1073 . . 38 VAL HG13 . 27532 1
269 . 1 1 38 38 VAL C C 13 174.233 0.022 . 1 . . 439 . . 38 VAL C . 27532 1
270 . 1 1 38 38 VAL CA C 13 61.799 0.027 . 1 . . 371 . . 38 VAL CA . 27532 1
271 . 1 1 38 38 VAL CB C 13 33.895 0.036 . 1 . . 372 . . 38 VAL CB . 27532 1
272 . 1 1 38 38 VAL CG1 C 13 22.054 0.012 . 1 . . 710 . . 38 VAL CG1 . 27532 1
273 . 1 1 38 38 VAL N N 15 122.011 0.101 . 1 . . 246 . . 38 VAL N . 27532 1
274 . 1 1 39 39 VAL H H 1 9.092 0.005 . 1 . . 131 . . 39 VAL H . 27532 1
275 . 1 1 39 39 VAL HA H 1 4.215 0.01 . 1 . . 711 . . 39 VAL HA . 27532 1
276 . 1 1 39 39 VAL HB H 1 1.957 0.01 . 1 . . 852 . . 39 VAL HB . 27532 1
277 . 1 1 39 39 VAL HG11 H 1 0.804 0.007 . 1 . . 853 . . 39 VAL HG11 . 27532 1
278 . 1 1 39 39 VAL HG12 H 1 0.804 0.007 . 1 . . 853 . . 39 VAL HG12 . 27532 1
279 . 1 1 39 39 VAL HG13 H 1 0.804 0.007 . 1 . . 853 . . 39 VAL HG13 . 27532 1
280 . 1 1 39 39 VAL C C 13 175.682 0.006 . 1 . . 516 . . 39 VAL C . 27532 1
281 . 1 1 39 39 VAL CA C 13 61.384 0.02 . 1 . . 309 . . 39 VAL CA . 27532 1
282 . 1 1 39 39 VAL CB C 13 33.925 0.056 . 1 . . 308 . . 39 VAL CB . 27532 1
283 . 1 1 39 39 VAL CG1 C 13 21.086 0.011 . 1 . . 709 . . 39 VAL CG1 . 27532 1
284 . 1 1 39 39 VAL N N 15 127.054 0.045 . 1 . . 132 . . 39 VAL N . 27532 1
285 . 1 1 40 40 LEU H H 1 8.933 0.005 . 1 . . 201 . . 40 LEU H . 27532 1
286 . 1 1 40 40 LEU HA H 1 5.250 0.008 . 1 . . 708 . . 40 LEU HA . 27532 1
287 . 1 1 40 40 LEU HB2 H 1 1.520 0.014 . 1 . . 707 . . 40 LEU HB2 . 27532 1
288 . 1 1 40 40 LEU C C 13 177.655 0.014 . 1 . . 430 . . 40 LEU C . 27532 1
289 . 1 1 40 40 LEU CA C 13 54.050 0.046 . 1 . . 351 . . 40 LEU CA . 27532 1
290 . 1 1 40 40 LEU CB C 13 44.254 0.001 . 1 . . 352 . . 40 LEU CB . 27532 1
291 . 1 1 40 40 LEU N N 15 131.706 0.035 . 1 . . 202 . . 40 LEU N . 27532 1
292 . 1 1 41 41 THR H H 1 7.930 0.005 . 1 . . 173 . . 41 THR H . 27532 1
293 . 1 1 41 41 THR HA H 1 4.188 0.007 . 1 . . 855 . . 41 THR HA . 27532 1
294 . 1 1 41 41 THR HB H 1 4.475 0.015 . 1 . . 856 . . 41 THR HB . 27532 1
295 . 1 1 41 41 THR HG21 H 1 1.586 . . 1 . . 854 . . 41 THR HG1 . 27532 1
296 . 1 1 41 41 THR HG22 H 1 1.586 . . 1 . . 854 . . 41 THR HG1 . 27532 1
297 . 1 1 41 41 THR HG23 H 1 1.586 . . 1 . . 854 . . 41 THR HG1 . 27532 1
298 . 1 1 41 41 THR C C 13 176.118 . . 1 . . 936 . . 41 THR C . 27532 1
299 . 1 1 41 41 THR CA C 13 61.385 0.02 . 1 . . 335 . . 41 THR CA . 27532 1
300 . 1 1 41 41 THR CB C 13 70.261 0.012 . 1 . . 857 . . 41 THR CB . 27532 1
301 . 1 1 41 41 THR N N 15 110.390 0.017 . 1 . . 174 . . 41 THR N . 27532 1
302 . 1 1 42 42 ASN C C 13 176.262 . . 1 . . 940 . . 42 ASN C . 27532 1
303 . 1 1 42 42 ASN CA C 13 54.715 . . 1 . . 1112 . . 42 ASN CA . 27532 1
304 . 1 1 42 42 ASN CB C 13 40.736 . . 1 . . 939 . . 42 ASN CB . 27532 1
305 . 1 1 43 43 ASP H H 1 7.940 0.012 . 1 . . 83 . . 43 ASP H . 27532 1
306 . 1 1 43 43 ASP HA H 1 4.095 0.028 . 1 . . 933 . . 43 ASP HA . 27532 1
307 . 1 1 43 43 ASP C C 13 175.925 0.082 . 1 . . 932 . . 43 ASP C . 27532 1
308 . 1 1 43 43 ASP CA C 13 56.040 0.033 . 1 . . 931 . . 43 ASP CA . 27532 1
309 . 1 1 43 43 ASP CB C 13 42.011 . . 1 . . 289 . . 43 ASP CB . 27532 1
310 . 1 1 43 43 ASP N N 15 121.973 0.128 . 1 . . 84 . . 43 ASP N . 27532 1
311 . 1 1 44 44 LEU H H 1 8.181 0.009 . 1 . . 167 . . 44 LEU H . 27532 1
312 . 1 1 44 44 LEU HA H 1 3.586 0.014 . 1 . . 858 . . 44 LEU HA . 27532 1
313 . 1 1 44 44 LEU C C 13 175.156 0.014 . 1 . . 475 . . 44 LEU C . 27532 1
314 . 1 1 44 44 LEU CA C 13 56.395 0.061 . 1 . . 474 . . 44 LEU CA . 27532 1
315 . 1 1 44 44 LEU CB C 13 38.465 0.07 . 1 . . 473 . . 44 LEU CB . 27532 1
316 . 1 1 44 44 LEU N N 15 114.172 0.072 . 1 . . 168 . . 44 LEU N . 27532 1
317 . 1 1 45 45 SER H H 1 7.794 0.007 . 1 . . 125 . . 45 SER H . 27532 1
318 . 1 1 45 45 SER HA H 1 4.019 0.011 . 1 . . 705 . . 45 SER HA . 27532 1
319 . 1 1 45 45 SER HB2 H 1 3.752 0.002 . 1 . . 706 . . 45 SER HB2 . 27532 1
320 . 1 1 45 45 SER C C 13 175.572 . . 1 . . 1103 . . 45 SER C . 27532 1
321 . 1 1 45 45 SER CA C 13 60.406 0.099 . 1 . . 303 . . 45 SER CA . 27532 1
322 . 1 1 45 45 SER CB C 13 63.757 0.091 . 1 . . 302 . . 45 SER CB . 27532 1
323 . 1 1 45 45 SER N N 15 110.758 0.031 . 1 . . 126 . . 45 SER N . 27532 1
324 . 1 1 46 46 GLN H H 1 7.471 0.009 . 1 . . 13 . . 46 GLN H . 27532 1
325 . 1 1 46 46 GLN HA H 1 4.773 0.03 . 1 . . 703 . . 46 GLN HA . 27532 1
326 . 1 1 46 46 GLN HB2 H 1 1.823 0.015 . 1 . . 704 . . 46 GLN HB2 . 27532 1
327 . 1 1 46 46 GLN HG2 H 1 2.058 0.006 . 2 . . 863 . . 46 GLN HG2 . 27532 1
328 . 1 1 46 46 GLN HG3 H 1 2.162 0.007 . 2 . . 864 . . 46 GLN HG3 . 27532 1
329 . 1 1 46 46 GLN HE21 H 1 7.325 0.003 . 1 . . 97 . . 46 GLN HE21 . 27532 1
330 . 1 1 46 46 GLN HE22 H 1 6.588 0.004 . 1 . . 105 . . 46 GLN HE22 . 27532 1
331 . 1 1 46 46 GLN C C 13 172.730 0.009 . 1 . . 471 . . 46 GLN C . 27532 1
332 . 1 1 46 46 GLN CA C 13 55.012 0.039 . 1 . . 259 . . 46 GLN CA . 27532 1
333 . 1 1 46 46 GLN CB C 13 32.746 0.011 . 1 . . 260 . . 46 GLN CB . 27532 1
334 . 1 1 46 46 GLN CG C 13 34.028 0.009 . 1 . . 591 . . 46 GLN CG . 27532 1
335 . 1 1 46 46 GLN CD C 13 179.950 0.012 . 1 . . 592 . . 46 GLN CD . 27532 1
336 . 1 1 46 46 GLN N N 15 121.226 0.085 . 1 . . 14 . . 46 GLN N . 27532 1
337 . 1 1 46 46 GLN NE2 N 15 111.035 0.038 . 1 . . 98 . . 46 GLN NE2 . 27532 1
338 . 1 1 47 47 ALA H H 1 8.756 0.009 . 1 . . 149 . . 47 ALA H . 27532 1
339 . 1 1 47 47 ALA HA H 1 4.908 0.004 . 1 . . 701 . . 47 ALA HA . 27532 1
340 . 1 1 47 47 ALA HB1 H 1 0.780 0.019 . 1 . . 702 . . 47 ALA HB1 . 27532 1
341 . 1 1 47 47 ALA HB2 H 1 0.780 0.019 . 1 . . 702 . . 47 ALA HB2 . 27532 1
342 . 1 1 47 47 ALA HB3 H 1 0.780 0.019 . 1 . . 702 . . 47 ALA HB3 . 27532 1
343 . 1 1 47 47 ALA C C 13 174.345 0.003 . 1 . . 410 . . 47 ALA C . 27532 1
344 . 1 1 47 47 ALA CA C 13 50.121 0.026 . 1 . . 320 . . 47 ALA CA . 27532 1
345 . 1 1 47 47 ALA CB C 13 21.879 0.033 . 1 . . 319 . . 47 ALA CB . 27532 1
346 . 1 1 47 47 ALA N N 15 124.243 0.058 . 1 . . 150 . . 47 ALA N . 27532 1
347 . 1 1 48 48 LYS H H 1 8.675 0.003 . 1 . . 161 . . 48 LYS H . 27532 1
348 . 1 1 48 48 LYS HA H 1 4.430 0.011 . 1 . . 700 . . 48 LYS HA . 27532 1
349 . 1 1 48 48 LYS HB2 H 1 1.921 0.001 . 1 . . 860 . . 48 LYS HB2 . 27532 1
350 . 1 1 48 48 LYS HG2 H 1 1.296 0.011 . 1 . . 861 . . 48 LYS HG2 . 27532 1
351 . 1 1 48 48 LYS HD2 H 1 1.484 0.005 . 1 . . 862 . . 48 LYS HD2 . 27532 1
352 . 1 1 48 48 LYS C C 13 173.840 0.01 . 1 . . 414 . . 48 LYS C . 27532 1
353 . 1 1 48 48 LYS CA C 13 54.987 0.037 . 1 . . 327 . . 48 LYS CA . 27532 1
354 . 1 1 48 48 LYS CB C 13 33.151 0.008 . 1 . . 859 . . 48 LYS CB . 27532 1
355 . 1 1 48 48 LYS N N 15 123.957 0.039 . 1 . . 162 . . 48 LYS N . 27532 1
356 . 1 1 49 49 VAL H H 1 8.691 0.009 . 1 . . 39 . . 49 VAL H . 27532 1
357 . 1 1 49 49 VAL HA H 1 4.046 0.016 . 1 . . 699 . . 49 VAL HA . 27532 1
358 . 1 1 49 49 VAL HB H 1 1.830 0.001 . 1 . . 865 . . 49 VAL HB . 27532 1
359 . 1 1 49 49 VAL HG11 H 1 0.429 0.007 . 1 . . 866 . . 49 VAL HG11 . 27532 1
360 . 1 1 49 49 VAL HG12 H 1 0.429 0.007 . 1 . . 866 . . 49 VAL HG12 . 27532 1
361 . 1 1 49 49 VAL HG13 H 1 0.429 0.007 . 1 . . 866 . . 49 VAL HG13 . 27532 1
362 . 1 1 49 49 VAL C C 13 173.870 0.014 . 1 . . 438 . . 49 VAL C . 27532 1
363 . 1 1 49 49 VAL CA C 13 61.417 0.048 . 1 . . 477 . . 49 VAL CA . 27532 1
364 . 1 1 49 49 VAL CB C 13 32.242 0.0 . 1 . . 478 . . 49 VAL CB . 27532 1
365 . 1 1 49 49 VAL CG1 C 13 20.177 0.024 . 2 . . 696 . . 49 VAL CG1 . 27532 1
366 . 1 1 49 49 VAL CG2 C 13 22.179 . . 2 . . 695 . . 49 VAL CG2 . 27532 1
367 . 1 1 49 49 VAL N N 15 127.133 0.056 . 1 . . 40 . . 49 VAL N . 27532 1
368 . 1 1 50 50 PHE H H 1 8.730 0.009 . 1 . . 75 . . 50 PHE H . 27532 1
369 . 1 1 50 50 PHE HA H 1 5.092 0.01 . 1 . . 698 . . 50 PHE HA . 27532 1
370 . 1 1 50 50 PHE HB2 H 1 2.869 0.006 . 1 . . 850 . . 50 PHE HB2 . 27532 1
371 . 1 1 50 50 PHE HD1 H 1 6.889 0.004 . 1 . . 867 . . 50 PHE HD1 . 27532 1
372 . 1 1 50 50 PHE HD2 H 1 6.889 0.004 . 1 . . 867 . . 50 PHE HD2 . 27532 1
373 . 1 1 50 50 PHE C C 13 175.619 0.009 . 1 . . 394 . . 50 PHE C . 27532 1
374 . 1 1 50 50 PHE CA C 13 57.536 0.022 . 1 . . 286 . . 50 PHE CA . 27532 1
375 . 1 1 50 50 PHE CB C 13 40.362 0.005 . 1 . . 469 . . 50 PHE CB . 27532 1
376 . 1 1 50 50 PHE N N 15 126.501 0.049 . 1 . . 76 . . 50 PHE N . 27532 1
377 . 1 1 51 51 LEU H H 1 8.630 0.016 . 1 . . 217 . . 51 LEU H . 27532 1
378 . 1 1 51 51 LEU HA H 1 5.487 0.006 . 1 . . 848 . . 51 LEU HA . 27532 1
379 . 1 1 51 51 LEU HB2 H 1 1.537 0.002 . 2 . . 868 . . 51 LEU HB2 . 27532 1
380 . 1 1 51 51 LEU HB3 H 1 1.419 0.017 . 2 . . 869 . . 51 LEU HB3 . 27532 1
381 . 1 1 51 51 LEU C C 13 175.328 . . 1 . . 1104 . . 51 LEU C . 27532 1
382 . 1 1 51 51 LEU CA C 13 53.790 0.019 . 1 . . 452 . . 51 LEU CA . 27532 1
383 . 1 1 51 51 LEU CB C 13 46.124 0.022 . 1 . . 453 . . 51 LEU CB . 27532 1
384 . 1 1 51 51 LEU CG C 13 26.027 . . 1 . . 694 . . 51 LEU CG . 27532 1
385 . 1 1 51 51 LEU N N 15 119.587 0.032 . 1 . . 218 . . 51 LEU N . 27532 1
386 . 1 1 52 52 THR H H 1 8.860 0.005 . 1 . . 177 . . 52 THR H . 27532 1
387 . 1 1 52 52 THR HA H 1 4.487 0.02 . 1 . . 692 . . 52 THR HA . 27532 1
388 . 1 1 52 52 THR HB H 1 4.044 0.007 . 1 . . 693 . . 52 THR HB . 27532 1
389 . 1 1 52 52 THR HG21 H 1 1.026 0.009 . 1 . . 870 . . 52 THR HG21 . 27532 1
390 . 1 1 52 52 THR HG22 H 1 1.026 0.009 . 1 . . 870 . . 52 THR HG22 . 27532 1
391 . 1 1 52 52 THR HG23 H 1 1.026 0.009 . 1 . . 870 . . 52 THR HG23 . 27532 1
392 . 1 1 52 52 THR C C 13 172.564 0.005 . 1 . . 418 . . 52 THR C . 27532 1
393 . 1 1 52 52 THR CA C 13 60.696 0.012 . 1 . . 337 . . 52 THR CA . 27532 1
394 . 1 1 52 52 THR CB C 13 70.866 0.03 . 1 . . 338 . . 52 THR CB . 27532 1
395 . 1 1 52 52 THR CG2 C 13 21.617 0.004 . 1 . . 450 . . 52 THR CG2 . 27532 1
396 . 1 1 52 52 THR N N 15 113.345 0.021 . 1 . . 178 . . 52 THR N . 27532 1
397 . 1 1 53 53 VAL H H 1 7.865 0.006 . 1 . . 89 . . 53 VAL H . 27532 1
398 . 1 1 53 53 VAL HA H 1 4.457 0.024 . 1 . . 690 . . 53 VAL HA . 27532 1
399 . 1 1 53 53 VAL HB H 1 1.964 0.01 . 1 . . 691 . . 53 VAL HB . 27532 1
400 . 1 1 53 53 VAL C C 13 174.288 0.019 . 1 . . 395 . . 53 VAL C . 27532 1
401 . 1 1 53 53 VAL CA C 13 60.556 0.034 . 1 . . 449 . . 53 VAL CA . 27532 1
402 . 1 1 53 53 VAL CB C 13 34.932 0.036 . 1 . . 292 . . 53 VAL CB . 27532 1
403 . 1 1 53 53 VAL CG1 C 13 21.218 . . 1 . . 451 . . 53 VAL CG1 . 27532 1
404 . 1 1 53 53 VAL N N 15 120.642 0.041 . 1 . . 90 . . 53 VAL N . 27532 1
405 . 1 1 54 54 LEU H H 1 8.343 0.008 . 1 . . 55 . . 54 LEU H . 27532 1
406 . 1 1 54 54 LEU HA H 1 4.456 0.012 . 1 . . 688 . . 54 LEU HA . 27532 1
407 . 1 1 54 54 LEU HB2 H 1 1.555 0.018 . 1 . . 689 . . 54 LEU HB2 . 27532 1
408 . 1 1 54 54 LEU HD11 H 1 0.784 0.014 . 1 . . 847 . . 54 LEU HD11 . 27532 1
409 . 1 1 54 54 LEU HD12 H 1 0.784 0.014 . 1 . . 847 . . 54 LEU HD12 . 27532 1
410 . 1 1 54 54 LEU HD13 H 1 0.784 0.014 . 1 . . 847 . . 54 LEU HD13 . 27532 1
411 . 1 1 54 54 LEU C C 13 176.050 0.001 . 1 . . 388 . . 54 LEU C . 27532 1
412 . 1 1 54 54 LEU CA C 13 54.546 0.048 . 1 . . 270 . . 54 LEU CA . 27532 1
413 . 1 1 54 54 LEU CB C 13 42.342 0.061 . 1 . . 271 . . 54 LEU CB . 27532 1
414 . 1 1 54 54 LEU CG C 13 27.134 . . 1 . . 685 . . 54 LEU CG . 27532 1
415 . 1 1 54 54 LEU CD1 C 13 24.839 . . 2 . . 686 . . 54 LEU CD1 . 27532 1
416 . 1 1 54 54 LEU CD2 C 13 23.761 . . 2 . . 687 . . 54 LEU CD2 . 27532 1
417 . 1 1 54 54 LEU N N 15 127.552 0.048 . 1 . . 56 . . 54 LEU N . 27532 1
418 . 1 1 55 55 GLY H H 1 7.935 0.004 . 1 . . 27 . . 55 GLY H . 27532 1
419 . 1 1 55 55 GLY HA2 H 1 4.181 0.007 . 2 . . 683 . . 55 GLY HA2 . 27532 1
420 . 1 1 55 55 GLY HA3 H 1 3.799 0.008 . 2 . . 684 . . 55 GLY HA3 . 27532 1
421 . 1 1 55 55 GLY C C 13 173.095 0.003 . 1 . . 379 . . 55 GLY C . 27532 1
422 . 1 1 55 55 GLY CA C 13 44.440 0.027 . 1 . . 265 . . 55 GLY CA . 27532 1
423 . 1 1 55 55 GLY N N 15 109.815 0.037 . 1 . . 28 . . 55 GLY N . 27532 1
424 . 1 1 56 56 ASN H H 1 8.719 0.006 . 1 . . 481 . . 56 ASN H . 27532 1
425 . 1 1 56 56 ASN HA H 1 4.662 0.016 . 1 . . 772 . . 56 ASN HA . 27532 1
426 . 1 1 56 56 ASN HB2 H 1 3.156 0.008 . 2 . . 773 . . 56 ASN HB2 . 27532 1
427 . 1 1 56 56 ASN HB3 H 1 2.805 0.007 . 2 . . 873 . . 56 ASN HB3 . 27532 1
428 . 1 1 56 56 ASN HD21 H 1 7.426 0.003 . 1 . . 115 . . 56 ASN HD21 . 27532 1
429 . 1 1 56 56 ASN HD22 H 1 6.710 0.015 . 1 . . 401 . . 56 ASN HD22 . 27532 1
430 . 1 1 56 56 ASN C C 13 174.824 0.005 . 1 . . 485 . . 56 ASN C . 27532 1
431 . 1 1 56 56 ASN CA C 13 52.127 0.128 . 1 . . 483 . . 56 ASN CA . 27532 1
432 . 1 1 56 56 ASN CB C 13 38.233 0.036 . 1 . . 484 . . 56 ASN CB . 27532 1
433 . 1 1 56 56 ASN CG C 13 176.012 0.017 . 1 . . 874 . . 56 ASN CG . 27532 1
434 . 1 1 56 56 ASN N N 15 117.792 0.068 . 1 . . 482 . . 56 ASN N . 27532 1
435 . 1 1 56 56 ASN ND2 N 15 111.102 0.124 . 1 . . 116 . . 56 ASN ND2 . 27532 1
436 . 1 1 57 57 ASP H H 1 8.294 0.005 . 1 . . 133 . . 57 ASP H . 27532 1
437 . 1 1 57 57 ASP HA H 1 4.104 0.004 . 1 . . 770 . . 57 ASP HA . 27532 1
438 . 1 1 57 57 ASP HB2 H 1 2.539 0.01 . 1 . . 771 . . 57 ASP HB2 . 27532 1
439 . 1 1 57 57 ASP C C 13 178.404 0.02 . 1 . . 767 . . 57 ASP C . 27532 1
440 . 1 1 57 57 ASP CA C 13 57.986 0.03 . 1 . . 310 . . 57 ASP CA . 27532 1
441 . 1 1 57 57 ASP CB C 13 39.996 0.001 . 1 . . 766 . . 57 ASP CB . 27532 1
442 . 1 1 57 57 ASP N N 15 116.993 0.023 . 1 . . 134 . . 57 ASP N . 27532 1
443 . 1 1 58 58 LYS H H 1 7.955 0.004 . 1 . . 77 . . 58 LYS H . 27532 1
444 . 1 1 58 58 LYS HA H 1 3.996 0.006 . 1 . . 768 . . 58 LYS HA . 27532 1
445 . 1 1 58 58 LYS HB2 H 1 1.729 0.015 . 1 . . 769 . . 58 LYS HB2 . 27532 1
446 . 1 1 58 58 LYS C C 13 178.395 0.009 . 1 . . 765 . . 58 LYS C . 27532 1
447 . 1 1 58 58 LYS CA C 13 58.267 0.011 . 1 . . 287 . . 58 LYS CA . 27532 1
448 . 1 1 58 58 LYS CB C 13 31.427 0.028 . 1 . . 764 . . 58 LYS CB . 27532 1
449 . 1 1 58 58 LYS CG C 13 24.481 . . 1 . . 775 . . 58 LYS CG . 27532 1
450 . 1 1 58 58 LYS CD C 13 28.332 . . 1 . . 776 . . 58 LYS CD . 27532 1
451 . 1 1 58 58 LYS CE C 13 41.001 . . 1 . . 777 . . 58 LYS CE . 27532 1
452 . 1 1 58 58 LYS N N 15 120.801 0.031 . 1 . . 78 . . 58 LYS N . 27532 1
453 . 1 1 59 59 GLU H H 1 8.080 0.011 . 1 . . 101 . . 59 GLU H . 27532 1
454 . 1 1 59 59 GLU HA H 1 3.972 0.013 . 1 . . 681 . . 59 GLU HA . 27532 1
455 . 1 1 59 59 GLU HB2 H 1 1.875 0.01 . 1 . . 682 . . 59 GLU HB2 . 27532 1
456 . 1 1 59 59 GLU HG2 H 1 2.327 0.013 . 2 . . 875 . . 59 GLU HG2 . 27532 1
457 . 1 1 59 59 GLU HG3 H 1 2.125 0.002 . 2 . . 876 . . 59 GLU HG3 . 27532 1
458 . 1 1 59 59 GLU C C 13 180.398 0.003 . 1 . . 398 . . 59 GLU C . 27532 1
459 . 1 1 59 59 GLU CA C 13 58.964 0.045 . 1 . . 500 . . 59 GLU CA . 27532 1
460 . 1 1 59 59 GLU CB C 13 29.046 0.036 . 1 . . 506 . . 59 GLU CB . 27532 1
461 . 1 1 59 59 GLU CG C 13 36.740 0.066 . 1 . . 680 . . 59 GLU CG . 27532 1
462 . 1 1 59 59 GLU N N 15 120.511 0.072 . 1 . . 102 . . 59 GLU N . 27532 1
463 . 1 1 60 60 VAL H H 1 8.445 0.008 . 1 . . 215 . . 60 VAL H . 27532 1
464 . 1 1 60 60 VAL HA H 1 3.260 0.008 . 1 . . 679 . . 60 VAL HA . 27532 1
465 . 1 1 60 60 VAL HB H 1 1.981 0.004 . 1 . . 877 . . 60 VAL HB . 27532 1
466 . 1 1 60 60 VAL C C 13 177.485 0.012 . 1 . . 434 . . 60 VAL C . 27532 1
467 . 1 1 60 60 VAL CA C 13 67.365 0.039 . 1 . . 355 . . 60 VAL CA . 27532 1
468 . 1 1 60 60 VAL CB C 13 31.395 0.074 . 1 . . 356 . . 60 VAL CB . 27532 1
469 . 1 1 60 60 VAL N N 15 122.281 0.039 . 1 . . 216 . . 60 VAL N . 27532 1
470 . 1 1 61 61 GLU H H 1 7.936 0.006 . 1 . . 199 . . 61 GLU H . 27532 1
471 . 1 1 61 61 GLU HA H 1 3.963 0.002 . 1 . . 677 . . 61 GLU HA . 27532 1
472 . 1 1 61 61 GLU HB2 H 1 2.027 0.023 . 1 . . 678 . . 61 GLU HB2 . 27532 1
473 . 1 1 61 61 GLU C C 13 179.667 0.008 . 1 . . 426 . . 61 GLU C . 27532 1
474 . 1 1 61 61 GLU CA C 13 59.693 0.031 . 1 . . 505 . . 61 GLU CA . 27532 1
475 . 1 1 61 61 GLU CB C 13 29.459 0.015 . 1 . . 501 . . 61 GLU CB . 27532 1
476 . 1 1 61 61 GLU CG C 13 36.116 . . 1 . . 674 . . 61 GLU CG . 27532 1
477 . 1 1 61 61 GLU N N 15 120.013 0.046 . 1 . . 200 . . 61 GLU N . 27532 1
478 . 1 1 62 62 ASN H H 1 8.375 0.007 . 1 . . 87 . . 62 ASN H . 27532 1
479 . 1 1 62 62 ASN HA H 1 4.376 0.009 . 1 . . 675 . . 62 ASN HA . 27532 1
480 . 1 1 62 62 ASN HB2 H 1 2.547 0.013 . 1 . . 676 . . 62 ASN HB2 . 27532 1
481 . 1 1 62 62 ASN C C 13 177.841 0.005 . 1 . . 507 . . 62 ASN C . 27532 1
482 . 1 1 62 62 ASN CA C 13 55.584 0.013 . 1 . . 291 . . 62 ASN CA . 27532 1
483 . 1 1 62 62 ASN CB C 13 37.693 0.018 . 1 . . 290 . . 62 ASN CB . 27532 1
484 . 1 1 62 62 ASN N N 15 117.505 0.03 . 1 . . 88 . . 62 ASN N . 27532 1
485 . 1 1 63 63 THR H H 1 8.087 0.01 . 1 . . 502 . . 63 THR H . 27532 1
486 . 1 1 63 63 THR HA H 1 3.690 0.005 . 1 . . 878 . . 63 THR HA . 27532 1
487 . 1 1 63 63 THR C C 13 175.688 0.031 . 1 . . 504 . . 63 THR C . 27532 1
488 . 1 1 63 63 THR CA C 13 67.745 0.011 . 1 . . 512 . . 63 THR CA . 27532 1
489 . 1 1 63 63 THR CG2 C 13 21.416 . . 1 . . 673 . . 63 THR CG2 . 27532 1
490 . 1 1 63 63 THR N N 15 120.321 0.144 . 1 . . 503 . . 63 THR N . 27532 1
491 . 1 1 64 64 PHE H H 1 7.933 0.009 . 1 . . 427 . . 64 PHE H . 27532 1
492 . 1 1 64 64 PHE HA H 1 3.995 0.022 . 1 . . 671 . . 64 PHE HA . 27532 1
493 . 1 1 64 64 PHE HB2 H 1 2.958 0.008 . 1 . . 672 . . 64 PHE HB2 . 27532 1
494 . 1 1 64 64 PHE HD1 H 1 7.119 0.006 . 1 . . 879 . . 64 PHE HD1 . 27532 1
495 . 1 1 64 64 PHE HD2 H 1 7.119 0.006 . 1 . . 879 . . 64 PHE HD2 . 27532 1
496 . 1 1 64 64 PHE C C 13 178.763 0.02 . 1 . . 429 . . 64 PHE C . 27532 1
497 . 1 1 64 64 PHE CA C 13 62.421 0.044 . 1 . . 511 . . 64 PHE CA . 27532 1
498 . 1 1 64 64 PHE CB C 13 37.802 0.003 . 1 . . 513 . . 64 PHE CB . 27532 1
499 . 1 1 64 64 PHE N N 15 120.006 0.055 . 1 . . 428 . . 64 PHE N . 27532 1
500 . 1 1 65 65 LYS H H 1 7.986 0.007 . 1 . . 169 . . 65 LYS H . 27532 1
501 . 1 1 65 65 LYS HA H 1 4.083 0.009 . 1 . . 669 . . 65 LYS HA . 27532 1
502 . 1 1 65 65 LYS HB2 H 1 1.781 0.002 . 1 . . 670 . . 65 LYS HB2 . 27532 1
503 . 1 1 65 65 LYS HG2 H 1 1.370 0.006 . 1 . . 881 . . 65 LYS HG2 . 27532 1
504 . 1 1 65 65 LYS HD2 H 1 1.644 0.002 . 1 . . 880 . . 65 LYS HD2 . 27532 1
505 . 1 1 65 65 LYS C C 13 179.246 0.0 . 1 . . 416 . . 65 LYS C . 27532 1
506 . 1 1 65 65 LYS CA C 13 59.800 0.045 . 1 . . 332 . . 65 LYS CA . 27532 1
507 . 1 1 65 65 LYS CB C 13 32.509 0.1 . 1 . . 331 . . 65 LYS CB . 27532 1
508 . 1 1 65 65 LYS CG C 13 25.417 0.012 . 1 . . 668 . . 65 LYS CG . 27532 1
509 . 1 1 65 65 LYS CD C 13 29.371 0.003 . 1 . . 667 . . 65 LYS CD . 27532 1
510 . 1 1 65 65 LYS N N 15 119.897 0.048 . 1 . . 170 . . 65 LYS N . 27532 1
511 . 1 1 66 66 ALA H H 1 7.791 0.005 . 1 . . 197 . . 66 ALA H . 27532 1
512 . 1 1 66 66 ALA HA H 1 3.913 0.006 . 1 . . 665 . . 66 ALA HA . 27532 1
513 . 1 1 66 66 ALA HB1 H 1 1.209 0.008 . 1 . . 666 . . 66 ALA HB1 . 27532 1
514 . 1 1 66 66 ALA HB2 H 1 1.209 0.008 . 1 . . 666 . . 66 ALA HB2 . 27532 1
515 . 1 1 66 66 ALA HB3 H 1 1.209 0.008 . 1 . . 666 . . 66 ALA HB3 . 27532 1
516 . 1 1 66 66 ALA C C 13 180.750 0.014 . 1 . . 498 . . 66 ALA C . 27532 1
517 . 1 1 66 66 ALA CA C 13 54.942 0.064 . 1 . . 350 . . 66 ALA CA . 27532 1
518 . 1 1 66 66 ALA CB C 13 18.795 0.016 . 1 . . 349 . . 66 ALA CB . 27532 1
519 . 1 1 66 66 ALA N N 15 122.603 0.071 . 1 . . 198 . . 66 ALA N . 27532 1
520 . 1 1 67 67 LEU H H 1 8.173 0.009 . 1 . . 205 . . 67 LEU H . 27532 1
521 . 1 1 67 67 LEU HA H 1 3.654 0.009 . 1 . . 663 . . 67 LEU HA . 27532 1
522 . 1 1 67 67 LEU HB2 H 1 1.595 0.008 . 2 . . 882 . . 67 LEU HB2 . 27532 1
523 . 1 1 67 67 LEU HB3 H 1 1.373 0.009 . 2 . . 883 . . 67 LEU HB3 . 27532 1
524 . 1 1 67 67 LEU C C 13 178.840 0.017 . 1 . . 431 . . 67 LEU C . 27532 1
525 . 1 1 67 67 LEU CA C 13 57.842 0.027 . 1 . . 496 . . 67 LEU CA . 27532 1
526 . 1 1 67 67 LEU CB C 13 40.571 0.027 . 1 . . 497 . . 67 LEU CB . 27532 1
527 . 1 1 67 67 LEU N N 15 119.474 0.067 . 1 . . 206 . . 67 LEU N . 27532 1
528 . 1 1 68 68 ASP H H 1 7.796 0.003 . 1 . . 249 . . 68 ASP H . 27532 1
529 . 1 1 68 68 ASP HA H 1 4.378 0.008 . 1 . . 661 . . 68 ASP HA . 27532 1
530 . 1 1 68 68 ASP HB2 H 1 2.653 0.007 . 2 . . 662 . . 68 ASP HB2 . 27532 1
531 . 1 1 68 68 ASP HB3 H 1 2.776 0.008 . 2 . . 884 . . 68 ASP HB3 . 27532 1
532 . 1 1 68 68 ASP C C 13 179.327 0.008 . 1 . . 440 . . 68 ASP C . 27532 1
533 . 1 1 68 68 ASP CA C 13 57.709 0.002 . 1 . . 495 . . 68 ASP CA . 27532 1
534 . 1 1 68 68 ASP CB C 13 41.140 0.022 . 1 . . 494 . . 68 ASP CB . 27532 1
535 . 1 1 68 68 ASP N N 15 118.683 0.025 . 1 . . 250 . . 68 ASP N . 27532 1
536 . 1 1 69 69 LYS H H 1 7.600 0.006 . 1 . . 227 . . 69 LYS H . 27532 1
537 . 1 1 69 69 LYS HA H 1 4.052 0.023 . 1 . . 659 . . 69 LYS HA . 27532 1
538 . 1 1 69 69 LYS HB2 H 1 1.862 0.016 . 1 . . 660 . . 69 LYS HB2 . 27532 1
539 . 1 1 69 69 LYS HG2 H 1 1.466 0.014 . 1 . . 885 . . 69 LYS HG2 . 27532 1
540 . 1 1 69 69 LYS HD2 H 1 1.622 0.009 . 1 . . 886 . . 69 LYS HD2 . 27532 1
541 . 1 1 69 69 LYS C C 13 177.703 0.006 . 1 . . 435 . . 69 LYS C . 27532 1
542 . 1 1 69 69 LYS CA C 13 58.612 0.069 . 1 . . 358 . . 69 LYS CA . 27532 1
543 . 1 1 69 69 LYS CB C 13 32.062 0.029 . 1 . . 357 . . 69 LYS CB . 27532 1
544 . 1 1 69 69 LYS CG C 13 24.896 0.011 . 1 . . 658 . . 69 LYS CG . 27532 1
545 . 1 1 69 69 LYS CD C 13 29.002 0.006 . 1 . . 657 . . 69 LYS CD . 27532 1
546 . 1 1 69 69 LYS N N 15 118.906 0.049 . 1 . . 228 . . 69 LYS N . 27532 1
547 . 1 1 70 70 ALA H H 1 7.452 0.007 . 1 . . 237 . . 70 ALA H . 27532 1
548 . 1 1 70 70 ALA HA H 1 4.604 0.01 . 1 . . 655 . . 70 ALA HA . 27532 1
549 . 1 1 70 70 ALA HB1 H 1 1.380 0.025 . 1 . . 656 . . 70 ALA HB1 . 27532 1
550 . 1 1 70 70 ALA HB2 H 1 1.380 0.025 . 1 . . 656 . . 70 ALA HB2 . 27532 1
551 . 1 1 70 70 ALA HB3 H 1 1.380 0.025 . 1 . . 656 . . 70 ALA HB3 . 27532 1
552 . 1 1 70 70 ALA C C 13 177.328 0.004 . 1 . . 437 . . 70 ALA C . 27532 1
553 . 1 1 70 70 ALA CA C 13 51.658 0.014 . 1 . . 364 . . 70 ALA CA . 27532 1
554 . 1 1 70 70 ALA CB C 13 19.031 0.038 . 1 . . 363 . . 70 ALA CB . 27532 1
555 . 1 1 70 70 ALA N N 15 118.931 0.062 . 1 . . 238 . . 70 ALA N . 27532 1
556 . 1 1 71 71 LYS H H 1 7.313 0.006 . 1 . . 43 . . 71 LYS H . 27532 1
557 . 1 1 71 71 LYS HA H 1 3.911 0.01 . 1 . . 887 . . 71 LYS HA . 27532 1
558 . 1 1 71 71 LYS HB2 H 1 1.948 0.007 . 2 . . 654 . . 71 LYS HB2 . 27532 1
559 . 1 1 71 71 LYS HB3 H 1 2.045 0.0 . 2 . . 888 . . 71 LYS HB3 . 27532 1
560 . 1 1 71 71 LYS HG2 H 1 1.438 0.021 . 1 . . 889 . . 71 LYS HG2 . 27532 1
561 . 1 1 71 71 LYS HD2 H 1 1.615 . . 1 . . 890 . . 71 LYS HD2 . 27532 1
562 . 1 1 71 71 LYS C C 13 178.329 . . 1 . . 384 . . 71 LYS C . 27532 1
563 . 1 1 71 71 LYS CA C 13 61.190 0.001 . 1 . . 274 . . 71 LYS CA . 27532 1
564 . 1 1 71 71 LYS CB C 13 32.757 0.017 . 1 . . 275 . . 71 LYS CB . 27532 1
565 . 1 1 71 71 LYS N N 15 120.021 0.035 . 1 . . 44 . . 71 LYS N . 27532 1
566 . 1 1 72 72 GLY HA2 H 1 3.853 0.005 . 2 . . 891 . . 72 GLY HA2 . 27532 1
567 . 1 1 72 72 GLY HA3 H 1 3.924 0.002 . 2 . . 1086 . . 72 GLY HA3 . 27532 1
568 . 1 1 72 72 GLY C C 13 176.215 . . 1 . . 514 . . 72 GLY C . 27532 1
569 . 1 1 72 72 GLY CA C 13 47.045 0.024 . 1 . . 515 . . 72 GLY CA . 27532 1
570 . 1 1 73 73 PHE H H 1 7.901 0.004 . 1 . . 195 . . 73 PHE H . 27532 1
571 . 1 1 73 73 PHE HA H 1 4.263 0.018 . 1 . . 652 . . 73 PHE HA . 27532 1
572 . 1 1 73 73 PHE HB2 H 1 3.057 0.007 . 2 . . 892 . . 73 PHE HB2 . 27532 1
573 . 1 1 73 73 PHE HB3 H 1 3.244 0.008 . 2 . . 893 . . 73 PHE HB3 . 27532 1
574 . 1 1 73 73 PHE HD1 H 1 7.056 0.003 . 1 . . 894 . . 73 PHE HD1 . 27532 1
575 . 1 1 73 73 PHE HD2 H 1 7.056 0.003 . 1 . . 894 . . 73 PHE HD2 . 27532 1
576 . 1 1 73 73 PHE C C 13 177.052 0.015 . 1 . . 425 . . 73 PHE C . 27532 1
577 . 1 1 73 73 PHE CA C 13 60.544 0.014 . 1 . . 348 . . 73 PHE CA . 27532 1
578 . 1 1 73 73 PHE CB C 13 38.984 0.061 . 1 . . 347 . . 73 PHE CB . 27532 1
579 . 1 1 73 73 PHE N N 15 125.325 0.064 . 1 . . 196 . . 73 PHE N . 27532 1
580 . 1 1 74 74 ILE H H 1 8.664 0.006 . 1 . . 193 . . 74 ILE H . 27532 1
581 . 1 1 74 74 ILE HA H 1 3.660 0.009 . 1 . . 651 . . 74 ILE HA . 27532 1
582 . 1 1 74 74 ILE HB H 1 1.674 0.02 . 1 . . 895 . . 74 ILE HB . 27532 1
583 . 1 1 74 74 ILE C C 13 177.297 0.011 . 1 . . 424 . . 74 ILE C . 27532 1
584 . 1 1 74 74 ILE CA C 13 66.282 0.074 . 1 . . 345 . . 74 ILE CA . 27532 1
585 . 1 1 74 74 ILE CB C 13 38.135 0.003 . 1 . . 346 . . 74 ILE CB . 27532 1
586 . 1 1 74 74 ILE N N 15 119.578 0.038 . 1 . . 194 . . 74 ILE N . 27532 1
587 . 1 1 75 75 LYS H H 1 8.060 0.005 . 1 . . 61 . . 75 LYS H . 27532 1
588 . 1 1 75 75 LYS HA H 1 3.689 0.011 . 1 . . 647 . . 75 LYS HA . 27532 1
589 . 1 1 75 75 LYS HB2 H 1 1.783 0.002 . 2 . . 648 . . 75 LYS HB2 . 27532 1
590 . 1 1 75 75 LYS HB3 H 1 1.859 0.019 . 2 . . 649 . . 75 LYS HB3 . 27532 1
591 . 1 1 75 75 LYS HG2 H 1 1.437 0.01 . 1 . . 896 . . 75 LYS HG2 . 27532 1
592 . 1 1 75 75 LYS C C 13 178.811 0.016 . 1 . . 390 . . 75 LYS C . 27532 1
593 . 1 1 75 75 LYS CA C 13 60.515 0.035 . 1 . . 278 . . 75 LYS CA . 27532 1
594 . 1 1 75 75 LYS CB C 13 32.531 0.01 . 1 . . 499 . . 75 LYS CB . 27532 1
595 . 1 1 75 75 LYS CG C 13 25.799 0.001 . 1 . . 642 . . 75 LYS CG . 27532 1
596 . 1 1 75 75 LYS CD C 13 30.008 . . 1 . . 643 . . 75 LYS CD . 27532 1
597 . 1 1 75 75 LYS N N 15 117.597 0.037 . 1 . . 62 . . 75 LYS N . 27532 1
598 . 1 1 76 76 SER H H 1 7.823 0.005 . 1 . . 145 . . 76 SER H . 27532 1
599 . 1 1 76 76 SER HA H 1 4.057 0.007 . 1 . . 644 . . 76 SER HA . 27532 1
600 . 1 1 76 76 SER HB2 H 1 3.841 0.007 . 2 . . 645 . . 76 SER HB2 . 27532 1
601 . 1 1 76 76 SER HB3 H 1 3.801 0.002 . 2 . . 646 . . 76 SER HB3 . 27532 1
602 . 1 1 76 76 SER C C 13 177.555 . . 1 . . 779 . . 76 SER C . 27532 1
603 . 1 1 76 76 SER CA C 13 61.415 0.058 . 1 . . 316 . . 76 SER CA . 27532 1
604 . 1 1 76 76 SER CB C 13 62.374 0.059 . 1 . . 315 . . 76 SER CB . 27532 1
605 . 1 1 76 76 SER N N 15 114.979 0.03 . 1 . . 146 . . 76 SER N . 27532 1
606 . 1 1 77 77 GLU H H 1 8.180 0.006 . 1 . . 421 . . 77 GLU H . 27532 1
607 . 1 1 77 77 GLU HA H 1 3.800 0.015 . 1 . . 641 . . 77 GLU HA . 27532 1
608 . 1 1 77 77 GLU HB2 H 1 1.965 0.004 . 1 . . 897 . . 77 GLU HB2 . 27532 1
609 . 1 1 77 77 GLU C C 13 179.260 0.006 . 1 . . 423 . . 77 GLU C . 27532 1
610 . 1 1 77 77 GLU CA C 13 58.511 0.042 . 1 . . 640 . . 77 GLU CA . 27532 1
611 . 1 1 77 77 GLU CB C 13 29.077 0.0 . 1 . . 639 . . 77 GLU CB . 27532 1
612 . 1 1 77 77 GLU CG C 13 36.040 . . 1 . . 778 . . 77 GLU CG . 27532 1
613 . 1 1 77 77 GLU N N 15 122.794 0.136 . 1 . . 422 . . 77 GLU N . 27532 1
614 . 1 1 78 78 LEU H H 1 8.663 0.004 . 1 . . 35 . . 78 LEU H . 27532 1
615 . 1 1 78 78 LEU HA H 1 3.663 0.005 . 1 . . 637 . . 78 LEU HA . 27532 1
616 . 1 1 78 78 LEU HB2 H 1 1.454 0.017 . 2 . . 638 . . 78 LEU HB2 . 27532 1
617 . 1 1 78 78 LEU HB3 H 1 1.664 0.014 . 2 . . 898 . . 78 LEU HB3 . 27532 1
618 . 1 1 78 78 LEU C C 13 179.018 0.002 . 1 . . 382 . . 78 LEU C . 27532 1
619 . 1 1 78 78 LEU CA C 13 58.222 0.04 . 1 . . 456 . . 78 LEU CA . 27532 1
620 . 1 1 78 78 LEU CB C 13 41.975 0.043 . 1 . . 267 . . 78 LEU CB . 27532 1
621 . 1 1 78 78 LEU N N 15 121.043 0.043 . 1 . . 36 . . 78 LEU N . 27532 1
622 . 1 1 79 79 GLY H H 1 8.270 0.007 . 1 . . 159 . . 79 GLY H . 27532 1
623 . 1 1 79 79 GLY HA2 H 1 3.872 0.015 . 2 . . 635 . . 79 GLY HA2 . 27532 1
624 . 1 1 79 79 GLY HA3 H 1 3.798 0.005 . 2 . . 636 . . 79 GLY HA3 . 27532 1
625 . 1 1 79 79 GLY C C 13 175.723 0.01 . 1 . . 413 . . 79 GLY C . 27532 1
626 . 1 1 79 79 GLY CA C 13 47.113 0.04 . 1 . . 326 . . 79 GLY CA . 27532 1
627 . 1 1 79 79 GLY N N 15 105.703 0.051 . 1 . . 160 . . 79 GLY N . 27532 1
628 . 1 1 80 80 SER H H 1 7.509 0.007 . 1 . . 155 . . 80 SER H . 27532 1
629 . 1 1 80 80 SER HA H 1 4.251 0.012 . 1 . . 634 . . 80 SER HA . 27532 1
630 . 1 1 80 80 SER HB2 H 1 3.842 0.01 . 1 . . 633 . . 80 SER HB2 . 27532 1
631 . 1 1 80 80 SER CA C 13 60.306 0.033 . 1 . . 323 . . 80 SER CA . 27532 1
632 . 1 1 80 80 SER CB C 13 63.034 0.112 . 1 . . 322 . . 80 SER CB . 27532 1
633 . 1 1 80 80 SER N N 15 114.900 0.068 . 1 . . 156 . . 80 SER N . 27532 1
634 . 1 1 81 81 ARG H H 1 7.629 0.014 . 1 . . 251 . . 81 ARG H . 27532 1
635 . 1 1 81 81 ARG HA H 1 4.121 0.02 . 1 . . 631 . . 81 ARG HA . 27532 1
636 . 1 1 81 81 ARG HB2 H 1 1.821 0.003 . 1 . . 632 . . 81 ARG HB2 . 27532 1
637 . 1 1 81 81 ARG C C 13 177.197 . . 1 . . 441 . . 81 ARG C . 27532 1
638 . 1 1 81 81 ARG CA C 13 57.540 0.034 . 1 . . 455 . . 81 ARG CA . 27532 1
639 . 1 1 81 81 ARG CB C 13 32.048 0.002 . 1 . . 454 . . 81 ARG CB . 27532 1
640 . 1 1 81 81 ARG N N 15 119.129 0.102 . 1 . . 252 . . 81 ARG N . 27532 1
641 . 1 1 88 88 PRO C C 13 175.344 . . 1 . . 797 . . 88 PRO C . 27532 1
642 . 1 1 88 88 PRO CA C 13 61.977 0.022 . 1 . . 792 . . 88 PRO CA . 27532 1
643 . 1 1 88 88 PRO CB C 13 31.263 . . 1 . . 791 . . 88 PRO CB . 27532 1
644 . 1 1 89 89 GLU H H 1 7.505 0.008 . 1 . . 243 . . 89 GLU H . 27532 1
645 . 1 1 89 89 GLU HA H 1 4.130 0.011 . 1 . . 804 . . 89 GLU HA . 27532 1
646 . 1 1 89 89 GLU HB2 H 1 1.832 0.015 . 1 . . 805 . . 89 GLU HB2 . 27532 1
647 . 1 1 89 89 GLU C C 13 175.504 0.028 . 1 . . 788 . . 89 GLU C . 27532 1
648 . 1 1 89 89 GLU CA C 13 55.948 0.083 . 1 . . 369 . . 89 GLU CA . 27532 1
649 . 1 1 89 89 GLU CB C 13 30.175 0.097 . 1 . . 370 . . 89 GLU CB . 27532 1
650 . 1 1 89 89 GLU CG C 13 35.792 . . 1 . . 793 . . 89 GLU CG . 27532 1
651 . 1 1 89 89 GLU N N 15 118.852 0.04 . 1 . . 244 . . 89 GLU N . 27532 1
652 . 1 1 90 90 LEU H H 1 8.065 0.009 . 1 . . 241 . . 90 LEU H . 27532 1
653 . 1 1 90 90 LEU HA H 1 4.630 0.009 . 1 . . 802 . . 90 LEU HA . 27532 1
654 . 1 1 90 90 LEU HB2 H 1 0.676 0.026 . 1 . . 803 . . 90 LEU HB2 . 27532 1
655 . 1 1 90 90 LEU C C 13 175.790 0.029 . 1 . . 787 . . 90 LEU C . 27532 1
656 . 1 1 90 90 LEU CA C 13 54.332 0.094 . 1 . . 368 . . 90 LEU CA . 27532 1
657 . 1 1 90 90 LEU CB C 13 42.742 0.03 . 1 . . 367 . . 90 LEU CB . 27532 1
658 . 1 1 90 90 LEU CG C 13 26.903 . . 1 . . 794 . . 90 LEU CG . 27532 1
659 . 1 1 90 90 LEU N N 15 125.812 0.027 . 1 . . 242 . . 90 LEU N . 27532 1
660 . 1 1 91 91 MET H H 1 8.215 0.004 . 1 . . 539 . . 91 MET H . 27532 1
661 . 1 1 91 91 MET HA H 1 4.401 0.009 . 1 . . 800 . . 91 MET HA . 27532 1
662 . 1 1 91 91 MET HB2 H 1 1.846 0.004 . 1 . . 801 . . 91 MET HB2 . 27532 1
663 . 1 1 91 91 MET C C 13 173.569 0.001 . 1 . . 789 . . 91 MET C . 27532 1
664 . 1 1 91 91 MET CA C 13 53.841 0.008 . 1 . . 541 . . 91 MET CA . 27532 1
665 . 1 1 91 91 MET CB C 13 34.591 0.01 . 1 . . 790 . . 91 MET CB . 27532 1
666 . 1 1 91 91 MET CG C 13 31.736 . . 1 . . 795 . . 91 MET CG . 27532 1
667 . 1 1 91 91 MET N N 15 123.076 0.027 . 1 . . 540 . . 91 MET N . 27532 1
668 . 1 1 92 92 TYR H H 1 8.294 0.01 . 1 . . 229 . . 92 TYR H . 27532 1
669 . 1 1 92 92 TYR HA H 1 4.912 0.005 . 1 . . 798 . . 92 TYR HA . 27532 1
670 . 1 1 92 92 TYR HB2 H 1 2.556 0.019 . 1 . . 799 . . 92 TYR HB2 . 27532 1
671 . 1 1 92 92 TYR HD1 H 1 6.801 0.009 . 1 . . 899 . . 92 TYR HD1 . 27532 1
672 . 1 1 92 92 TYR HD2 H 1 6.801 0.009 . 1 . . 899 . . 92 TYR HD2 . 27532 1
673 . 1 1 92 92 TYR C C 13 175.242 0.008 . 1 . . 796 . . 92 TYR C . 27532 1
674 . 1 1 92 92 TYR CA C 13 57.375 0.029 . 1 . . 360 . . 92 TYR CA . 27532 1
675 . 1 1 92 92 TYR CB C 13 39.985 0.003 . 1 . . 359 . . 92 TYR CB . 27532 1
676 . 1 1 92 92 TYR N N 15 122.196 0.111 . 1 . . 230 . . 92 TYR N . 27532 1
677 . 1 1 93 93 GLU H H 1 8.931 0.007 . 1 . . 151 . . 93 GLU H . 27532 1
678 . 1 1 93 93 GLU HA H 1 4.417 0.013 . 1 . . 827 . . 93 GLU HA . 27532 1
679 . 1 1 93 93 GLU HB2 H 1 1.831 . . 1 . . 900 . . 93 GLU HB2 . 27532 1
680 . 1 1 93 93 GLU C C 13 174.074 . . 1 . . 411 . . 93 GLU C . 27532 1
681 . 1 1 93 93 GLU CA C 13 54.506 0.001 . 1 . . 321 . . 93 GLU CA . 27532 1
682 . 1 1 93 93 GLU N N 15 123.925 0.045 . 1 . . 152 . . 93 GLU N . 27532 1
683 . 1 1 94 94 TYR HD1 H 1 6.679 . . 1 . . 872 . . 94 TYR HD1 . 27532 1
684 . 1 1 94 94 TYR HD2 H 1 6.679 . . 1 . . 872 . . 94 TYR HD2 . 27532 1
685 . 1 1 94 94 TYR HE1 H 1 6.896 0.015 . 1 . . 871 . . 94 TYR HE1 . 27532 1
686 . 1 1 94 94 TYR HE2 H 1 6.896 0.015 . 1 . . 871 . . 94 TYR HE2 . 27532 1
687 . 1 1 94 94 TYR C C 13 175.887 . . 1 . . 1106 . . 94 TYR C . 27532 1
688 . 1 1 95 95 ASP H H 1 8.645 0.01 . 1 . . 17 . . 95 ASP H . 27532 1
689 . 1 1 95 95 ASP HA H 1 4.635 0.004 . 1 . . 1087 . . 95 ASP HA . 27532 1
690 . 1 1 95 95 ASP HB2 H 1 2.704 . . 1 . . 901 . . 95 ASP HB2 . 27532 1
691 . 1 1 95 95 ASP C C 13 175.220 . . 1 . . 831 . . 95 ASP C . 27532 1
692 . 1 1 95 95 ASP CA C 13 54.116 0.031 . 1 . . 830 . . 95 ASP CA . 27532 1
693 . 1 1 95 95 ASP CB C 13 41.604 . . 1 . . 1105 . . 95 ASP CB . 27532 1
694 . 1 1 95 95 ASP N N 15 126.649 0.119 . 1 . . 18 . . 95 ASP N . 27532 1
695 . 1 1 96 96 GLN H H 1 8.297 0.009 . 1 . . 446 . . 96 GLN H . 27532 1
696 . 1 1 96 96 GLN HA H 1 4.377 0.024 . 1 . . 629 . . 96 GLN HA . 27532 1
697 . 1 1 96 96 GLN HB2 H 1 2.125 0.0 . 1 . . 630 . . 96 GLN HB2 . 27532 1
698 . 1 1 96 96 GLN HG2 H 1 2.248 0.004 . 2 . . 902 . . 96 GLN HG2 . 27532 1
699 . 1 1 96 96 GLN HG3 H 1 2.622 0.004 . 2 . . 903 . . 96 GLN HG3 . 27532 1
700 . 1 1 96 96 GLN HE21 H 1 7.444 0.008 . 1 . . 593 . . 96 GLN HE21 . 27532 1
701 . 1 1 96 96 GLN HE22 H 1 6.753 0.007 . 1 . . 595 . . 96 GLN HE22 . 27532 1
702 . 1 1 96 96 GLN C C 13 176.038 0.009 . 1 . . 448 . . 96 GLN C . 27532 1
703 . 1 1 96 96 GLN CA C 13 55.670 0.077 . 1 . . 509 . . 96 GLN CA . 27532 1
704 . 1 1 96 96 GLN CB C 13 29.471 0.041 . 1 . . 510 . . 96 GLN CB . 27532 1
705 . 1 1 96 96 GLN CG C 13 33.756 0.042 . 1 . . 596 . . 96 GLN CG . 27532 1
706 . 1 1 96 96 GLN CD C 13 180.445 0.028 . 1 . . 597 . . 96 GLN CD . 27532 1
707 . 1 1 96 96 GLN N N 15 122.928 0.096 . 1 . . 447 . . 96 GLN N . 27532 1
708 . 1 1 96 96 GLN NE2 N 15 112.395 0.082 . 1 . . 594 . . 96 GLN NE2 . 27532 1
709 . 1 1 97 97 SER H H 1 8.429 0.009 . 1 . . 91 . . 97 SER H . 27532 1
710 . 1 1 97 97 SER HA H 1 4.185 0.006 . 1 . . 904 . . 97 SER HA . 27532 1
711 . 1 1 97 97 SER HB2 H 1 3.738 0.007 . 1 . . 628 . . 97 SER HB2 . 27532 1
712 . 1 1 97 97 SER C C 13 174.669 . . 1 . . 1107 . . 97 SER C . 27532 1
713 . 1 1 97 97 SER CA C 13 59.461 0.04 . 1 . . 294 . . 97 SER CA . 27532 1
714 . 1 1 97 97 SER CB C 13 63.550 0.043 . 1 . . 293 . . 97 SER CB . 27532 1
715 . 1 1 97 97 SER N N 15 116.734 0.022 . 1 . . 92 . . 97 SER N . 27532 1
716 . 1 1 98 98 ILE H H 1 7.696 0.008 . 1 . . 1 . . 98 ILE H . 27532 1
717 . 1 1 98 98 ILE HA H 1 3.997 0.011 . 1 . . 625 . . 98 ILE HA . 27532 1
718 . 1 1 98 98 ILE HB H 1 1.692 0.02 . 1 . . 626 . . 98 ILE HB . 27532 1
719 . 1 1 98 98 ILE HG12 H 1 1.279 0.007 . 2 . . 905 . . 98 ILE HG12 . 27532 1
720 . 1 1 98 98 ILE HG13 H 1 1.041 0.007 . 2 . . 906 . . 98 ILE HG13 . 27532 1
721 . 1 1 98 98 ILE HD11 H 1 0.699 0.008 . 1 . . 907 . . 98 ILE HD11 . 27532 1
722 . 1 1 98 98 ILE HD12 H 1 0.699 0.008 . 1 . . 907 . . 98 ILE HD12 . 27532 1
723 . 1 1 98 98 ILE HD13 H 1 0.699 0.008 . 1 . . 907 . . 98 ILE HD13 . 27532 1
724 . 1 1 98 98 ILE C C 13 176.000 0.002 . 1 . . 373 . . 98 ILE C . 27532 1
725 . 1 1 98 98 ILE CA C 13 61.129 0.031 . 1 . . 253 . . 98 ILE CA . 27532 1
726 . 1 1 98 98 ILE CB C 13 38.309 0.044 . 1 . . 254 . . 98 ILE CB . 27532 1
727 . 1 1 98 98 ILE CG1 C 13 27.411 0.008 . 1 . . 622 . . 98 ILE CG1 . 27532 1
728 . 1 1 98 98 ILE CG2 C 13 17.386 . . 1 . . 623 . . 98 ILE CG2 . 27532 1
729 . 1 1 98 98 ILE CD1 C 13 12.821 0.007 . 1 . . 624 . . 98 ILE CD1 . 27532 1
730 . 1 1 98 98 ILE N N 15 122.006 0.053 . 1 . . 2 . . 98 ILE N . 27532 1
731 . 1 1 99 99 GLU H H 1 8.190 0.011 . 1 . . 171 . . 99 GLU H . 27532 1
732 . 1 1 99 99 GLU HA H 1 4.117 0.009 . 1 . . 620 . . 99 GLU HA . 27532 1
733 . 1 1 99 99 GLU HB2 H 1 1.747 0.026 . 1 . . 621 . . 99 GLU HB2 . 27532 1
734 . 1 1 99 99 GLU C C 13 176.132 0.013 . 1 . . 508 . . 99 GLU C . 27532 1
735 . 1 1 99 99 GLU CA C 13 56.384 0.028 . 1 . . 333 . . 99 GLU CA . 27532 1
736 . 1 1 99 99 GLU CB C 13 30.123 0.031 . 1 . . 334 . . 99 GLU CB . 27532 1
737 . 1 1 99 99 GLU CG C 13 36.055 . . 1 . . 619 . . 99 GLU CG . 27532 1
738 . 1 1 99 99 GLU N N 15 123.686 0.067 . 1 . . 172 . . 99 GLU N . 27532 1
739 . 1 1 100 100 TYR H H 1 8.048 0.014 . 1 . . 51 . . 100 TYR H . 27532 1
740 . 1 1 100 100 TYR HA H 1 4.414 0.006 . 1 . . 616 . . 100 TYR HA . 27532 1
741 . 1 1 100 100 TYR HB2 H 1 2.977 0.006 . 2 . . 617 . . 100 TYR HB2 . 27532 1
742 . 1 1 100 100 TYR HB3 H 1 2.801 0.012 . 2 . . 618 . . 100 TYR HB3 . 27532 1
743 . 1 1 100 100 TYR HD1 H 1 6.979 0.005 . 1 . . 908 . . 100 TYR HD1 . 27532 1
744 . 1 1 100 100 TYR HD2 H 1 6.979 0.005 . 1 . . 908 . . 100 TYR HD2 . 27532 1
745 . 1 1 100 100 TYR C C 13 176.418 0.002 . 1 . . 386 . . 100 TYR C . 27532 1
746 . 1 1 100 100 TYR CA C 13 58.098 0.028 . 1 . . 479 . . 100 TYR CA . 27532 1
747 . 1 1 100 100 TYR CB C 13 38.682 0.01 . 1 . . 480 . . 100 TYR CB . 27532 1
748 . 1 1 100 100 TYR N N 15 120.948 0.027 . 1 . . 52 . . 100 TYR N . 27532 1
749 . 1 1 101 101 GLY H H 1 8.204 0.008 . 1 . . 175 . . 101 GLY H . 27532 1
750 . 1 1 101 101 GLY HA2 H 1 3.786 0.004 . 2 . . 909 . . 101 GLY HA2 . 27532 1
751 . 1 1 101 101 GLY HA3 H 1 3.879 0.01 . 2 . . 910 . . 101 GLY HA3 . 27532 1
752 . 1 1 101 101 GLY C C 13 172.926 . . 1 . . 1108 . . 101 GLY C . 27532 1
753 . 1 1 101 101 GLY CA C 13 45.370 0.048 . 1 . . 336 . . 101 GLY CA . 27532 1
754 . 1 1 101 101 GLY N N 15 109.671 0.123 . 1 . . 176 . . 101 GLY N . 27532 1
755 . 1 1 102 102 ASN H H 1 7.805 0.004 . 1 . . 534 . . 102 ASN H . 27532 1
756 . 1 1 102 102 ASN HA H 1 4.378 0.002 . 1 . . 945 . . 102 ASN HA . 27532 1
757 . 1 1 102 102 ASN HB2 H 1 2.572 0.002 . 1 . . 946 . . 102 ASN HB2 . 27532 1
758 . 1 1 102 102 ASN C C 13 179.540 . . 1 . . 538 . . 102 ASN C . 27532 1
759 . 1 1 102 102 ASN CA C 13 54.488 0.024 . 1 . . 536 . . 102 ASN CA . 27532 1
760 . 1 1 102 102 ASN CB C 13 40.309 0.002 . 1 . . 537 . . 102 ASN CB . 27532 1
761 . 1 1 102 102 ASN N N 15 123.911 0.032 . 1 . . 535 . . 102 ASN N . 27532 1
762 . 1 1 106 106 ARG C C 13 174.962 . . 1 . . 1109 . . 106 ARG C . 27532 1
763 . 1 1 106 106 ARG CA C 13 53.042 . . 1 . . 1110 . . 106 ARG CA . 27532 1
764 . 1 1 106 106 ARG CB C 13 29.387 . . 1 . . 1113 . . 106 ARG CB . 27532 1
765 . 1 1 107 107 MET H H 1 8.158 0.01 . 1 . . 231 . . 107 MET H . 27532 1
766 . 1 1 107 107 MET HA H 1 4.164 0.008 . 1 . . 814 . . 107 MET HA . 27532 1
767 . 1 1 107 107 MET HB2 H 1 1.662 0.015 . 1 . . 815 . . 107 MET HB2 . 27532 1
768 . 1 1 107 107 MET C C 13 176.155 0.018 . 1 . . 781 . . 107 MET C . 27532 1
769 . 1 1 107 107 MET CA C 13 56.162 0.048 . 1 . . 780 . . 107 MET CA . 27532 1
770 . 1 1 107 107 MET CB C 13 32.787 0.012 . 1 . . 811 . . 107 MET CB . 27532 1
771 . 1 1 107 107 MET N N 15 121.826 0.165 . 1 . . 232 . . 107 MET N . 27532 1
772 . 1 1 108 108 ILE H H 1 8.017 0.017 . 1 . . 207 . . 108 ILE H . 27532 1
773 . 1 1 108 108 ILE HA H 1 4.040 0.002 . 1 . . 812 . . 108 ILE HA . 27532 1
774 . 1 1 108 108 ILE HB H 1 1.685 0.021 . 1 . . 813 . . 108 ILE HB . 27532 1
775 . 1 1 108 108 ILE C C 13 175.844 0.007 . 1 . . 432 . . 108 ILE C . 27532 1
776 . 1 1 108 108 ILE CA C 13 61.127 0.105 . 1 . . 353 . . 108 ILE CA . 27532 1
777 . 1 1 108 108 ILE CB C 13 38.593 0.061 . 1 . . 354 . . 108 ILE CB . 27532 1
778 . 1 1 108 108 ILE N N 15 122.389 0.046 . 1 . . 208 . . 108 ILE N . 27532 1
779 . 1 1 109 109 GLN H H 1 8.408 0.023 . 1 . . 529 . . 109 GLN H . 27532 1
780 . 1 1 109 109 GLN HA H 1 4.701 0.002 . 1 . . 809 . . 109 GLN HA . 27532 1
781 . 1 1 109 109 GLN HB2 H 1 1.773 0.015 . 1 . . 810 . . 109 GLN HB2 . 27532 1
782 . 1 1 109 109 GLN HE21 H 1 7.517 0.002 . 1 . . 599 . . 109 GLN HE21 . 27532 1
783 . 1 1 109 109 GLN HE22 H 1 6.743 0.015 . 1 . . 600 . . 109 GLN HE22 . 27532 1
784 . 1 1 109 109 GLN C C 13 174.413 0.017 . 1 . . 531 . . 109 GLN C . 27532 1
785 . 1 1 109 109 GLN CA C 13 55.478 0.044 . 1 . . 532 . . 109 GLN CA . 27532 1
786 . 1 1 109 109 GLN CB C 13 29.846 0.046 . 1 . . 533 . . 109 GLN CB . 27532 1
787 . 1 1 109 109 GLN CG C 13 33.584 0.016 . 1 . . 601 . . 109 GLN CG . 27532 1
788 . 1 1 109 109 GLN CD C 13 180.666 0.005 . 1 . . 602 . . 109 GLN CD . 27532 1
789 . 1 1 109 109 GLN N N 15 125.746 0.05 . 1 . . 530 . . 109 GLN N . 27532 1
790 . 1 1 109 109 GLN NE2 N 15 112.343 0.079 . 1 . . 598 . . 109 GLN NE2 . 27532 1
791 . 1 1 110 110 ASP H H 1 7.929 0.004 . 1 . . 95 . . 110 ASP H . 27532 1
792 . 1 1 110 110 ASP HA H 1 4.250 0.014 . 1 . . 806 . . 110 ASP HA . 27532 1
793 . 1 1 110 110 ASP HB2 H 1 2.497 0.02 . 2 . . 807 . . 110 ASP HB2 . 27532 1
794 . 1 1 110 110 ASP HB3 H 1 2.444 0.006 . 2 . . 808 . . 110 ASP HB3 . 27532 1
795 . 1 1 110 110 ASP C C 13 180.763 0.014 . 1 . . 396 . . 110 ASP C . 27532 1
796 . 1 1 110 110 ASP CA C 13 55.717 0.125 . 1 . . 527 . . 110 ASP CA . 27532 1
797 . 1 1 110 110 ASP CB C 13 42.056 0.008 . 1 . . 528 . . 110 ASP CB . 27532 1
798 . 1 1 110 110 ASP N N 15 128.297 0.09 . 1 . . 96 . . 110 ASP N . 27532 1
799 . 1 1 111 111 LEU H H 1 8.174 0.01 . 1 . . 782 . . 111 LEU H . 27532 1
800 . 1 1 111 111 LEU HA H 1 4.017 0.003 . 1 . . 914 . . 111 LEU HA . 27532 1
801 . 1 1 111 111 LEU HB2 H 1 1.696 0.001 . 1 . . 916 . . 111 LEU HB2 . 27532 1
802 . 1 1 111 111 LEU C C 13 175.905 . . 1 . . 834 . . 111 LEU C . 27532 1
803 . 1 1 111 111 LEU CA C 13 60.955 0.028 . 1 . . 832 . . 111 LEU CA . 27532 1
804 . 1 1 111 111 LEU CB C 13 38.527 0.018 . 1 . . 833 . . 111 LEU CB . 27532 1
805 . 1 1 111 111 LEU CG C 13 27.092 . . 1 . . 835 . . 111 LEU CG . 27532 1
806 . 1 1 111 111 LEU N N 15 119.444 0.097 . 1 . . 783 . . 111 LEU N . 27532 1
807 . 1 1 112 112 HIS H H 1 8.333 0.009 . 1 . . 59 . . 112 HIS H . 27532 1
808 . 1 1 112 112 HIS HA H 1 4.193 0.004 . 1 . . 913 . . 112 HIS HA . 27532 1
809 . 1 1 112 112 HIS C C 13 175.160 0.003 . 1 . . 389 . . 112 HIS C . 27532 1
810 . 1 1 112 112 HIS CA C 13 56.331 0.03 . 1 . . 272 . . 112 HIS CA . 27532 1
811 . 1 1 112 112 HIS CB C 13 30.237 0.017 . 1 . . 273 . . 112 HIS CB . 27532 1
812 . 1 1 112 112 HIS N N 15 125.998 0.105 . 1 . . 60 . . 112 HIS N . 27532 1
813 . 1 1 113 113 LYS H H 1 7.890 0.006 . 1 . . 135 . . 113 LYS H . 27532 1
814 . 1 1 113 113 LYS HA H 1 4.031 0.002 . 1 . . 917 . . 113 LYS HA . 27532 1
815 . 1 1 113 113 LYS HB2 H 1 1.648 0.001 . 1 . . 918 . . 113 LYS HB2 . 27532 1
816 . 1 1 113 113 LYS C C 13 180.834 . . 1 . . 405 . . 113 LYS C . 27532 1
817 . 1 1 113 113 LYS CA C 13 57.373 0.021 . 1 . . 311 . . 113 LYS CA . 27532 1
818 . 1 1 113 113 LYS CB C 13 31.458 0.002 . 1 . . 312 . . 113 LYS CB . 27532 1
819 . 1 1 113 113 LYS N N 15 127.843 0.068 . 1 . . 136 . . 113 LYS N . 27532 1
820 . 1 1 117 117 VAL H H 1 8.178 0.002 . 1 . . 181 . . 117 VAL H . 27532 1
821 . 1 1 117 117 VAL HA H 1 3.995 0.003 . 1 . . 922 . . 117 VAL HA . 27532 1
822 . 1 1 117 117 VAL HB H 1 1.921 0.005 . 1 . . 923 . . 117 VAL HB . 27532 1
823 . 1 1 117 117 VAL C C 13 175.192 . . 1 . . 420 . . 117 VAL C . 27532 1
824 . 1 1 117 117 VAL CA C 13 62.356 0.01 . 1 . . 553 . . 117 VAL CA . 27532 1
825 . 1 1 117 117 VAL CB C 13 32.649 0.008 . 1 . . 552 . . 117 VAL CB . 27532 1
826 . 1 1 117 117 VAL N N 15 122.676 0.03 . 1 . . 182 . . 117 VAL N . 27532 1
827 . 1 1 118 118 GLU H H 1 7.926 0.005 . 1 . . 522 . . 118 GLU H . 27532 1
828 . 1 1 118 118 GLU HA H 1 3.992 0.003 . 1 . . 1091 . . 118 GLU HA . 27532 1
829 . 1 1 118 118 GLU HB2 H 1 1.828 . . 1 . . 1092 . . 118 GLU HB2 . 27532 1
830 . 1 1 118 118 GLU CA C 13 57.837 0.001 . 1 . . 524 . . 118 GLU CA . 27532 1
831 . 1 1 118 118 GLU N N 15 130.611 0.074 . 1 . . 523 . . 118 GLU N . 27532 1
stop_
save_