Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30502
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details 'Ambiguity of geminal atoms or geminal methyl proton groups is 2.'
_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-1H TOCSY 13C/15N filtered' . . . 30502 1
2 '3D 1H-13C NOESY' . . . 30502 1
3 '3D 1H-15N NOESY' . . . 30502 1
4 '3D filtered 1H-13C NOESY' . . . 30502 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 PRO HA H 1 4.458 0.001 . . . . . . B 2 PRO HA . 30502 1
2 . 1 1 2 2 PRO HB2 H 1 1.937 0.006 . . . . . . B 2 PRO HB2 . 30502 1
3 . 1 1 2 2 PRO HB3 H 1 2.290 0.002 . . . . . . B 2 PRO HB3 . 30502 1
4 . 1 1 2 2 PRO HG2 H 1 1.991 0.003 . . . . . . B 2 PRO HG2 . 30502 1
5 . 1 1 2 2 PRO HD2 H 1 3.547 0.008 . . . . . . B 2 PRO HD2 . 30502 1
6 . 1 1 2 2 PRO CA C 13 63.126 0.034 . . . . . . B 2 PRO CA . 30502 1
7 . 1 1 2 2 PRO CB C 13 32.335 0.013 . . . . . . B 2 PRO CB . 30502 1
8 . 1 1 2 2 PRO CG C 13 27.144 0.012 . . . . . . B 2 PRO CG . 30502 1
9 . 1 1 2 2 PRO CD C 13 49.664 0.058 . . . . . . B 2 PRO CD . 30502 1
10 . 1 1 3 3 LEU H H 1 8.551 0.009 . . . . . . B 3 LEU H . 30502 1
11 . 1 1 3 3 LEU HA H 1 4.339 0.002 . . . . . . B 3 LEU HA . 30502 1
12 . 1 1 3 3 LEU HB2 H 1 1.661 0.000 . . . . . . B 3 LEU HB2 . 30502 1
13 . 1 1 3 3 LEU HB3 H 1 1.598 0.003 . . . . . . B 3 LEU HB3 . 30502 1
14 . 1 1 3 3 LEU HG H 1 0.924 0.001 . . . . . . B 3 LEU HG . 30502 1
15 . 1 1 3 3 LEU HD11 H 1 0.924 0.006 . . . . . . B 3 LEU HD11 . 30502 1
16 . 1 1 3 3 LEU HD12 H 1 0.924 0.006 . . . . . . B 3 LEU HD12 . 30502 1
17 . 1 1 3 3 LEU HD13 H 1 0.924 0.006 . . . . . . B 3 LEU HD13 . 30502 1
18 . 1 1 3 3 LEU HD21 H 1 0.884 0.004 . . . . . . B 3 LEU HD21 . 30502 1
19 . 1 1 3 3 LEU HD22 H 1 0.884 0.004 . . . . . . B 3 LEU HD22 . 30502 1
20 . 1 1 3 3 LEU HD23 H 1 0.884 0.004 . . . . . . B 3 LEU HD23 . 30502 1
21 . 1 1 3 3 LEU CA C 13 55.574 0.014 . . . . . . B 3 LEU CA . 30502 1
22 . 1 1 3 3 LEU CB C 13 42.283 0.023 . . . . . . B 3 LEU CB . 30502 1
23 . 1 1 3 3 LEU CG C 13 27.093 0.060 . . . . . . B 3 LEU CG . 30502 1
24 . 1 1 3 3 LEU CD1 C 13 24.890 0.024 . . . . . . B 3 LEU CD1 . 30502 1
25 . 1 1 3 3 LEU CD2 C 13 23.643 0.005 . . . . . . B 3 LEU CD2 . 30502 1
26 . 1 1 3 3 LEU N N 15 122.747 0.015 . . . . . . B 3 LEU N . 30502 1
27 . 1 1 4 4 GLY H H 1 8.409 0.006 . . . . . . B 4 GLY H . 30502 1
28 . 1 1 4 4 GLY HA3 H 1 3.977 0.005 . . . . . . B 4 GLY HA3 . 30502 1
29 . 1 1 4 4 GLY CA C 13 45.387 0.012 . . . . . . B 4 GLY CA . 30502 1
30 . 1 1 4 4 GLY N N 15 109.167 0.085 . . . . . . B 4 GLY N . 30502 1
31 . 1 1 5 5 SER H H 1 8.110 0.001 . . . . . . B 5 SER H . 30502 1
32 . 1 1 5 5 SER HA H 1 4.500 0.002 . . . . . . B 5 SER HA . 30502 1
33 . 1 1 5 5 SER HB2 H 1 3.824 0.001 . . . . . . B 5 SER HB2 . 30502 1
34 . 1 1 5 5 SER CA C 13 58.071 0.008 . . . . . . B 5 SER CA . 30502 1
35 . 1 1 5 5 SER CB C 13 64.091 0.004 . . . . . . B 5 SER CB . 30502 1
36 . 1 1 5 5 SER N N 15 115.152 0.068 . . . . . . B 5 SER N . 30502 1
37 . 1 1 6 6 VAL H H 1 8.211 0.009 . . . . . . B 6 VAL H . 30502 1
38 . 1 1 6 6 VAL HA H 1 3.944 0.007 . . . . . . B 6 VAL HA . 30502 1
39 . 1 1 6 6 VAL HB H 1 1.995 0.000 . . . . . . B 6 VAL HB . 30502 1
40 . 1 1 6 6 VAL HG11 H 1 0.917 0.003 . . . . . . B 6 VAL HG11 . 30502 1
41 . 1 1 6 6 VAL HG12 H 1 0.917 0.003 . . . . . . B 6 VAL HG12 . 30502 1
42 . 1 1 6 6 VAL HG13 H 1 0.917 0.003 . . . . . . B 6 VAL HG13 . 30502 1
43 . 1 1 6 6 VAL HG21 H 1 0.608 0.012 . . . . . . B 6 VAL HG21 . 30502 1
44 . 1 1 6 6 VAL HG22 H 1 0.608 0.012 . . . . . . B 6 VAL HG22 . 30502 1
45 . 1 1 6 6 VAL HG23 H 1 0.608 0.012 . . . . . . B 6 VAL HG23 . 30502 1
46 . 1 1 6 6 VAL CA C 13 62.916 0.031 . . . . . . B 6 VAL CA . 30502 1
47 . 1 1 6 6 VAL CB C 13 32.897 0.002 . . . . . . B 6 VAL CB . 30502 1
48 . 1 1 6 6 VAL CG1 C 13 21.281 0.048 . . . . . . B 6 VAL CG1 . 30502 1
49 . 1 1 6 6 VAL CG2 C 13 20.630 0.018 . . . . . . B 6 VAL CG2 . 30502 1
50 . 1 1 6 6 VAL N N 15 123.392 0.125 . . . . . . B 6 VAL N . 30502 1
51 . 1 1 7 7 GLN H H 1 8.441 0.003 . . . . . . B 7 GLN H . 30502 1
52 . 1 1 7 7 GLN HA H 1 4.667 0.015 . . . . . . B 7 GLN HA . 30502 1
53 . 1 1 7 7 GLN HB2 H 1 1.980 0.003 . . . . . . B 7 GLN HB2 . 30502 1
54 . 1 1 7 7 GLN HB3 H 1 1.814 0.006 . . . . . . B 7 GLN HB3 . 30502 1
55 . 1 1 7 7 GLN HG2 H 1 2.187 0.004 . . . . . . B 7 GLN HG2 . 30502 1
56 . 1 1 7 7 GLN HG3 H 1 2.351 0.004 . . . . . . B 7 GLN HG3 . 30502 1
57 . 1 1 7 7 GLN HE21 H 1 6.818 0.002 . . . . . . B 7 GLN HE21 . 30502 1
58 . 1 1 7 7 GLN HE22 H 1 7.408 0.001 . . . . . . B 7 GLN HE22 . 30502 1
59 . 1 1 7 7 GLN CA C 13 54.560 0.018 . . . . . . B 7 GLN CA . 30502 1
60 . 1 1 7 7 GLN CB C 13 30.511 0.025 . . . . . . B 7 GLN CB . 30502 1
61 . 1 1 7 7 GLN CG C 13 33.771 0.018 . . . . . . B 7 GLN CG . 30502 1
62 . 1 1 7 7 GLN N N 15 123.461 0.056 . . . . . . B 7 GLN N . 30502 1
63 . 1 1 7 7 GLN NE2 N 15 111.623 0.049 . . . . . . B 7 GLN NE2 . 30502 1
64 . 1 1 8 8 HIS H H 1 9.117 0.037 . . . . . . B 8 HIS H . 30502 1
65 . 1 1 8 8 HIS HA H 1 4.558 0.006 . . . . . . B 8 HIS HA . 30502 1
66 . 1 1 8 8 HIS HB2 H 1 2.697 0.024 . . . . . . B 8 HIS HB2 . 30502 1
67 . 1 1 8 8 HIS HB3 H 1 3.197 0.004 . . . . . . B 8 HIS HB3 . 30502 1
68 . 1 1 8 8 HIS HD2 H 1 6.755 0.001 . . . . . . B 8 HIS HD2 . 30502 1
69 . 1 1 8 8 HIS HE1 H 1 6.906 0.000 . . . . . . B 8 HIS HE1 . 30502 1
70 . 1 1 8 8 HIS CA C 13 54.393 0.006 . . . . . . B 8 HIS CA . 30502 1
71 . 1 1 8 8 HIS CB C 13 29.637 0.019 . . . . . . B 8 HIS CB . 30502 1
72 . 1 1 8 8 HIS CD2 C 13 119.740 0.000 . . . . . . B 8 HIS CD2 . 30502 1
73 . 1 1 8 8 HIS N N 15 125.125 0.307 . . . . . . B 8 HIS N . 30502 1
74 . 1 1 9 9 VAL H H 1 7.694 0.016 . . . . . . B 9 VAL H . 30502 1
75 . 1 1 9 9 VAL HA H 1 3.681 0.021 . . . . . . B 9 VAL HA . 30502 1
76 . 1 1 9 9 VAL HB H 1 1.963 0.003 . . . . . . B 9 VAL HB . 30502 1
77 . 1 1 9 9 VAL HG11 H 1 0.967 0.013 . . . . . . B 9 VAL HG11 . 30502 1
78 . 1 1 9 9 VAL HG12 H 1 0.967 0.013 . . . . . . B 9 VAL HG12 . 30502 1
79 . 1 1 9 9 VAL HG13 H 1 0.967 0.013 . . . . . . B 9 VAL HG13 . 30502 1
80 . 1 1 9 9 VAL HG21 H 1 0.890 0.014 . . . . . . B 9 VAL HG21 . 30502 1
81 . 1 1 9 9 VAL HG22 H 1 0.890 0.014 . . . . . . B 9 VAL HG22 . 30502 1
82 . 1 1 9 9 VAL HG23 H 1 0.890 0.014 . . . . . . B 9 VAL HG23 . 30502 1
83 . 1 1 9 9 VAL CA C 13 64.766 0.161 . . . . . . B 9 VAL CA . 30502 1
84 . 1 1 9 9 VAL CB C 13 31.690 0.097 . . . . . . B 9 VAL CB . 30502 1
85 . 1 1 9 9 VAL CG1 C 13 21.572 0.128 . . . . . . B 9 VAL CG1 . 30502 1
86 . 1 1 9 9 VAL CG2 C 13 21.201 0.059 . . . . . . B 9 VAL CG2 . 30502 1
87 . 1 1 9 9 VAL N N 15 122.186 0.005 . . . . . . B 9 VAL N . 30502 1
88 . 1 1 10 10 GLY H H 1 9.516 0.002 . . . . . . B 10 GLY H . 30502 1
89 . 1 1 10 10 GLY HA2 H 1 3.588 0.024 . . . . . . B 10 GLY HA2 . 30502 1
90 . 1 1 10 10 GLY HA3 H 1 3.919 0.016 . . . . . . B 10 GLY HA3 . 30502 1
91 . 1 1 10 10 GLY CA C 13 44.853 0.045 . . . . . . B 10 GLY CA . 30502 1
92 . 1 1 10 10 GLY N N 15 114.977 0.000 . . . . . . B 10 GLY N . 30502 1
93 . 1 1 11 11 PHE H H 1 8.092 0.008 . . . . . . B 11 PHE H . 30502 1
94 . 1 1 11 11 PHE HA H 1 5.384 0.018 . . . . . . B 11 PHE HA . 30502 1
95 . 1 1 11 11 PHE HB2 H 1 2.485 0.004 . . . . . . B 11 PHE HB2 . 30502 1
96 . 1 1 11 11 PHE HB3 H 1 2.944 0.012 . . . . . . B 11 PHE HB3 . 30502 1
97 . 1 1 11 11 PHE HD1 H 1 6.916 0.001 . . . . . . B 11 PHE HD1 . 30502 1
98 . 1 1 11 11 PHE HD2 H 1 6.916 0.001 . . . . . . B 11 PHE HD2 . 30502 1
99 . 1 1 11 11 PHE HE1 H 1 7.213 0.001 . . . . . . B 11 PHE HE1 . 30502 1
100 . 1 1 11 11 PHE HE2 H 1 7.213 0.001 . . . . . . B 11 PHE HE2 . 30502 1
101 . 1 1 11 11 PHE HZ H 1 7.101 0.000 . . . . . . B 11 PHE HZ . 30502 1
102 . 1 1 11 11 PHE CA C 13 57.444 0.055 . . . . . . B 11 PHE CA . 30502 1
103 . 1 1 11 11 PHE CB C 13 42.736 0.056 . . . . . . B 11 PHE CB . 30502 1
104 . 1 1 11 11 PHE CD1 C 13 131.656 0.000 . . . . . . B 11 PHE CD1 . 30502 1
105 . 1 1 11 11 PHE CE1 C 13 131.663 0.000 . . . . . . B 11 PHE CE1 . 30502 1
106 . 1 1 11 11 PHE CZ C 13 129.431 0.000 . . . . . . B 11 PHE CZ . 30502 1
107 . 1 1 11 11 PHE N N 15 117.036 0.053 . . . . . . B 11 PHE N . 30502 1
108 . 1 1 12 12 LYS H H 1 8.741 0.016 . . . . . . B 12 LYS H . 30502 1
109 . 1 1 12 12 LYS HA H 1 5.277 0.007 . . . . . . B 12 LYS HA . 30502 1
110 . 1 1 12 12 LYS HB2 H 1 1.441 0.001 . . . . . . B 12 LYS HB2 . 30502 1
111 . 1 1 12 12 LYS HB3 H 1 1.325 0.008 . . . . . . B 12 LYS HB3 . 30502 1
112 . 1 1 12 12 LYS HG2 H 1 0.991 0.009 . . . . . . B 12 LYS HG2 . 30502 1
113 . 1 1 12 12 LYS HG3 H 1 1.111 0.001 . . . . . . B 12 LYS HG3 . 30502 1
114 . 1 1 12 12 LYS HD2 H 1 1.506 0.004 . . . . . . B 12 LYS HD2 . 30502 1
115 . 1 1 12 12 LYS HE2 H 1 2.921 0.001 . . . . . . B 12 LYS HE2 . 30502 1
116 . 1 1 12 12 LYS CA C 13 52.411 0.058 . . . . . . B 12 LYS CA . 30502 1
117 . 1 1 12 12 LYS CB C 13 38.169 0.025 . . . . . . B 12 LYS CB . 30502 1
118 . 1 1 12 12 LYS CG C 13 23.954 0.027 . . . . . . B 12 LYS CG . 30502 1
119 . 1 1 12 12 LYS CD C 13 29.978 0.077 . . . . . . B 12 LYS CD . 30502 1
120 . 1 1 12 12 LYS CE C 13 41.905 0.040 . . . . . . B 12 LYS CE . 30502 1
121 . 1 1 12 12 LYS N N 15 121.609 0.090 . . . . . . B 12 LYS N . 30502 1
122 . 1 1 13 13 CYS H H 1 8.572 0.011 . . . . . . B 13 CYS H . 30502 1
123 . 1 1 13 13 CYS HA H 1 4.424 0.001 . . . . . . B 13 CYS HA . 30502 1
124 . 1 1 13 13 CYS HB2 H 1 3.409 0.001 . . . . . . B 13 CYS HB2 . 30502 1
125 . 1 1 13 13 CYS HB3 H 1 2.757 0.003 . . . . . . B 13 CYS HB3 . 30502 1
126 . 1 1 13 13 CYS CA C 13 59.080 0.083 . . . . . . B 13 CYS CA . 30502 1
127 . 1 1 13 13 CYS CB C 13 31.550 0.011 . . . . . . B 13 CYS CB . 30502 1
128 . 1 1 13 13 CYS N N 15 125.903 0.025 . . . . . . B 13 CYS N . 30502 1
129 . 1 1 14 14 ASP H H 1 9.559 0.008 . . . . . . B 14 ASP H . 30502 1
130 . 1 1 14 14 ASP HA H 1 4.349 0.013 . . . . . . B 14 ASP HA . 30502 1
131 . 1 1 14 14 ASP HB2 H 1 1.895 0.016 . . . . . . B 14 ASP HB2 . 30502 1
132 . 1 1 14 14 ASP HB3 H 1 2.376 0.010 . . . . . . B 14 ASP HB3 . 30502 1
133 . 1 1 14 14 ASP CA C 13 57.965 0.037 . . . . . . B 14 ASP CA . 30502 1
134 . 1 1 14 14 ASP CB C 13 42.871 0.064 . . . . . . B 14 ASP CB . 30502 1
135 . 1 1 14 14 ASP N N 15 130.920 0.057 . . . . . . B 14 ASP N . 30502 1
136 . 1 1 15 15 ASN H H 1 9.356 0.023 . . . . . . B 15 ASN H . 30502 1
137 . 1 1 15 15 ASN HA H 1 4.965 0.006 . . . . . . B 15 ASN HA . 30502 1
138 . 1 1 15 15 ASN HB2 H 1 3.716 0.001 . . . . . . B 15 ASN HB2 . 30502 1
139 . 1 1 15 15 ASN HB3 H 1 2.523 0.022 . . . . . . B 15 ASN HB3 . 30502 1
140 . 1 1 15 15 ASN HD21 H 1 7.147 0.007 . . . . . . B 15 ASN HD21 . 30502 1
141 . 1 1 15 15 ASN HD22 H 1 8.966 0.001 . . . . . . B 15 ASN HD22 . 30502 1
142 . 1 1 15 15 ASN CA C 13 56.076 0.015 . . . . . . B 15 ASN CA . 30502 1
143 . 1 1 15 15 ASN CB C 13 40.641 0.050 . . . . . . B 15 ASN CB . 30502 1
144 . 1 1 15 15 ASN N N 15 118.275 0.141 . . . . . . B 15 ASN N . 30502 1
145 . 1 1 15 15 ASN ND2 N 15 118.538 0.085 . . . . . . B 15 ASN ND2 . 30502 1
146 . 1 1 16 16 CYS H H 1 8.668 0.004 . . . . . . B 16 CYS H . 30502 1
147 . 1 1 16 16 CYS HA H 1 4.843 0.000 . . . . . . B 16 CYS HA . 30502 1
148 . 1 1 16 16 CYS HB2 H 1 3.250 0.002 . . . . . . B 16 CYS HB2 . 30502 1
149 . 1 1 16 16 CYS HB3 H 1 2.701 0.003 . . . . . . B 16 CYS HB3 . 30502 1
150 . 1 1 16 16 CYS CA C 13 59.797 0.001 . . . . . . B 16 CYS CA . 30502 1
151 . 1 1 16 16 CYS CB C 13 32.439 0.041 . . . . . . B 16 CYS CB . 30502 1
152 . 1 1 16 16 CYS N N 15 118.897 0.090 . . . . . . B 16 CYS N . 30502 1
153 . 1 1 17 17 GLY H H 1 7.642 0.010 . . . . . . B 17 GLY H . 30502 1
154 . 1 1 17 17 GLY HA2 H 1 3.853 0.001 . . . . . . B 17 GLY HA2 . 30502 1
155 . 1 1 17 17 GLY HA3 H 1 4.208 0.001 . . . . . . B 17 GLY HA3 . 30502 1
156 . 1 1 17 17 GLY CA C 13 46.159 0.023 . . . . . . B 17 GLY CA . 30502 1
157 . 1 1 17 17 GLY N N 15 111.762 0.034 . . . . . . B 17 GLY N . 30502 1
158 . 1 1 18 18 ILE H H 1 8.564 0.006 . . . . . . B 18 ILE H . 30502 1
159 . 1 1 18 18 ILE HA H 1 4.117 0.001 . . . . . . B 18 ILE HA . 30502 1
160 . 1 1 18 18 ILE HB H 1 2.073 0.001 . . . . . . B 18 ILE HB . 30502 1
161 . 1 1 18 18 ILE HG12 H 1 1.502 0.001 . . . . . . B 18 ILE HG12 . 30502 1
162 . 1 1 18 18 ILE HG13 H 1 1.315 0.002 . . . . . . B 18 ILE HG13 . 30502 1
163 . 1 1 18 18 ILE HG21 H 1 0.963 0.001 . . . . . . B 18 ILE HG21 . 30502 1
164 . 1 1 18 18 ILE HG22 H 1 0.963 0.001 . . . . . . B 18 ILE HG22 . 30502 1
165 . 1 1 18 18 ILE HG23 H 1 0.963 0.001 . . . . . . B 18 ILE HG23 . 30502 1
166 . 1 1 18 18 ILE HD11 H 1 1.007 0.001 . . . . . . B 18 ILE HD11 . 30502 1
167 . 1 1 18 18 ILE HD12 H 1 1.007 0.001 . . . . . . B 18 ILE HD12 . 30502 1
168 . 1 1 18 18 ILE HD13 H 1 1.007 0.001 . . . . . . B 18 ILE HD13 . 30502 1
169 . 1 1 18 18 ILE CA C 13 62.784 0.023 . . . . . . B 18 ILE CA . 30502 1
170 . 1 1 18 18 ILE CB C 13 38.403 0.009 . . . . . . B 18 ILE CB . 30502 1
171 . 1 1 18 18 ILE CG1 C 13 29.600 0.031 . . . . . . B 18 ILE CG1 . 30502 1
172 . 1 1 18 18 ILE CG2 C 13 18.520 0.008 . . . . . . B 18 ILE CG2 . 30502 1
173 . 1 1 18 18 ILE CD1 C 13 14.397 0.026 . . . . . . B 18 ILE CD1 . 30502 1
174 . 1 1 18 18 ILE N N 15 125.083 0.061 . . . . . . B 18 ILE N . 30502 1
175 . 1 1 19 19 GLU H H 1 7.656 0.002 . . . . . . B 19 GLU H . 30502 1
176 . 1 1 19 19 GLU HA H 1 4.820 0.000 . . . . . . B 19 GLU HA . 30502 1
177 . 1 1 19 19 GLU HB2 H 1 1.783 0.005 . . . . . . B 19 GLU HB2 . 30502 1
178 . 1 1 19 19 GLU HB3 H 1 1.882 0.003 . . . . . . B 19 GLU HB3 . 30502 1
179 . 1 1 19 19 GLU CA C 13 53.119 0.001 . . . . . . B 19 GLU CA . 30502 1
180 . 1 1 19 19 GLU CB C 13 33.202 0.023 . . . . . . B 19 GLU CB . 30502 1
181 . 1 1 19 19 GLU N N 15 122.953 0.014 . . . . . . B 19 GLU N . 30502 1
182 . 1 1 20 20 PRO HA H 1 5.183 0.004 . . . . . . B 20 PRO HA . 30502 1
183 . 1 1 20 20 PRO HB2 H 1 2.013 0.006 . . . . . . B 20 PRO HB2 . 30502 1
184 . 1 1 20 20 PRO HB3 H 1 2.193 0.004 . . . . . . B 20 PRO HB3 . 30502 1
185 . 1 1 20 20 PRO HG2 H 1 2.438 0.001 . . . . . . B 20 PRO HG2 . 30502 1
186 . 1 1 20 20 PRO HG3 H 1 1.821 0.011 . . . . . . B 20 PRO HG3 . 30502 1
187 . 1 1 20 20 PRO HD2 H 1 3.711 0.001 . . . . . . B 20 PRO HD2 . 30502 1
188 . 1 1 20 20 PRO HD3 H 1 3.523 0.007 . . . . . . B 20 PRO HD3 . 30502 1
189 . 1 1 20 20 PRO CA C 13 62.503 0.003 . . . . . . B 20 PRO CA . 30502 1
190 . 1 1 20 20 PRO CB C 13 34.638 0.023 . . . . . . B 20 PRO CB . 30502 1
191 . 1 1 20 20 PRO CG C 13 34.205 0.043 . . . . . . B 20 PRO CG . 30502 1
192 . 1 1 20 20 PRO CD C 13 49.934 0.029 . . . . . . B 20 PRO CD . 30502 1
193 . 1 1 21 21 ILE H H 1 7.010 0.079 . . . . . . B 21 ILE H . 30502 1
194 . 1 1 21 21 ILE HA H 1 3.747 0.003 . . . . . . B 21 ILE HA . 30502 1
195 . 1 1 21 21 ILE HB H 1 1.234 0.012 . . . . . . B 21 ILE HB . 30502 1
196 . 1 1 21 21 ILE HG12 H 1 0.695 0.001 . . . . . . B 21 ILE HG12 . 30502 1
197 . 1 1 21 21 ILE HG13 H 1 1.781 0.002 . . . . . . B 21 ILE HG13 . 30502 1
198 . 1 1 21 21 ILE HG21 H 1 0.673 0.003 . . . . . . B 21 ILE HG21 . 30502 1
199 . 1 1 21 21 ILE HG22 H 1 0.673 0.003 . . . . . . B 21 ILE HG22 . 30502 1
200 . 1 1 21 21 ILE HG23 H 1 0.673 0.003 . . . . . . B 21 ILE HG23 . 30502 1
201 . 1 1 21 21 ILE HD11 H 1 0.369 0.003 . . . . . . B 21 ILE HD11 . 30502 1
202 . 1 1 21 21 ILE HD12 H 1 0.369 0.003 . . . . . . B 21 ILE HD12 . 30502 1
203 . 1 1 21 21 ILE HD13 H 1 0.369 0.003 . . . . . . B 21 ILE HD13 . 30502 1
204 . 1 1 21 21 ILE CA C 13 63.985 0.019 . . . . . . B 21 ILE CA . 30502 1
205 . 1 1 21 21 ILE CB C 13 40.264 0.034 . . . . . . B 21 ILE CB . 30502 1
206 . 1 1 21 21 ILE CG1 C 13 29.744 0.101 . . . . . . B 21 ILE CG1 . 30502 1
207 . 1 1 21 21 ILE CG2 C 13 17.648 0.004 . . . . . . B 21 ILE CG2 . 30502 1
208 . 1 1 21 21 ILE CD1 C 13 13.993 0.030 . . . . . . B 21 ILE CD1 . 30502 1
209 . 1 1 21 21 ILE N N 15 120.240 0.119 . . . . . . B 21 ILE N . 30502 1
210 . 1 1 22 22 GLN H H 1 8.712 0.005 . . . . . . B 22 GLN H . 30502 1
211 . 1 1 22 22 GLN HA H 1 5.167 0.025 . . . . . . B 22 GLN HA . 30502 1
212 . 1 1 22 22 GLN HB2 H 1 1.992 0.024 . . . . . . B 22 GLN HB2 . 30502 1
213 . 1 1 22 22 GLN HB3 H 1 2.112 0.000 . . . . . . B 22 GLN HB3 . 30502 1
214 . 1 1 22 22 GLN HG2 H 1 2.367 0.001 . . . . . . B 22 GLN HG2 . 30502 1
215 . 1 1 22 22 GLN HG3 H 1 2.227 0.003 . . . . . . B 22 GLN HG3 . 30502 1
216 . 1 1 22 22 GLN HE21 H 1 7.633 0.003 . . . . . . B 22 GLN HE21 . 30502 1
217 . 1 1 22 22 GLN HE22 H 1 6.888 0.002 . . . . . . B 22 GLN HE22 . 30502 1
218 . 1 1 22 22 GLN CA C 13 54.508 0.007 . . . . . . B 22 GLN CA . 30502 1
219 . 1 1 22 22 GLN CB C 13 30.852 0.027 . . . . . . B 22 GLN CB . 30502 1
220 . 1 1 22 22 GLN CG C 13 34.034 0.013 . . . . . . B 22 GLN CG . 30502 1
221 . 1 1 22 22 GLN N N 15 129.046 0.083 . . . . . . B 22 GLN N . 30502 1
222 . 1 1 22 22 GLN NE2 N 15 112.064 0.059 . . . . . . B 22 GLN NE2 . 30502 1
223 . 1 1 23 23 GLY H H 1 9.213 0.032 . . . . . . B 23 GLY H . 30502 1
224 . 1 1 23 23 GLY HA2 H 1 3.764 0.001 . . . . . . B 23 GLY HA2 . 30502 1
225 . 1 1 23 23 GLY HA3 H 1 4.464 0.012 . . . . . . B 23 GLY HA3 . 30502 1
226 . 1 1 23 23 GLY CA C 13 44.932 0.017 . . . . . . B 23 GLY CA . 30502 1
227 . 1 1 23 23 GLY N N 15 114.744 0.074 . . . . . . B 23 GLY N . 30502 1
228 . 1 1 24 24 VAL H H 1 8.439 0.006 . . . . . . B 24 VAL H . 30502 1
229 . 1 1 24 24 VAL HA H 1 3.644 0.010 . . . . . . B 24 VAL HA . 30502 1
230 . 1 1 24 24 VAL HB H 1 1.892 0.001 . . . . . . B 24 VAL HB . 30502 1
231 . 1 1 24 24 VAL HG11 H 1 0.574 0.009 . . . . . . B 24 VAL HG11 . 30502 1
232 . 1 1 24 24 VAL HG12 H 1 0.574 0.009 . . . . . . B 24 VAL HG12 . 30502 1
233 . 1 1 24 24 VAL HG13 H 1 0.574 0.009 . . . . . . B 24 VAL HG13 . 30502 1
234 . 1 1 24 24 VAL HG21 H 1 0.036 0.014 . . . . . . B 24 VAL HG21 . 30502 1
235 . 1 1 24 24 VAL HG22 H 1 0.036 0.014 . . . . . . B 24 VAL HG22 . 30502 1
236 . 1 1 24 24 VAL HG23 H 1 0.036 0.014 . . . . . . B 24 VAL HG23 . 30502 1
237 . 1 1 24 24 VAL CA C 13 63.092 0.007 . . . . . . B 24 VAL CA . 30502 1
238 . 1 1 24 24 VAL CB C 13 32.546 0.014 . . . . . . B 24 VAL CB . 30502 1
239 . 1 1 24 24 VAL CG1 C 13 22.449 0.025 . . . . . . B 24 VAL CG1 . 30502 1
240 . 1 1 24 24 VAL CG2 C 13 20.492 0.019 . . . . . . B 24 VAL CG2 . 30502 1
241 . 1 1 24 24 VAL N N 15 126.309 0.056 . . . . . . B 24 VAL N . 30502 1
242 . 1 1 25 25 ARG H H 1 7.668 0.008 . . . . . . B 25 ARG H . 30502 1
243 . 1 1 25 25 ARG HA H 1 4.370 0.011 . . . . . . B 25 ARG HA . 30502 1
244 . 1 1 25 25 ARG HB2 H 1 -0.268 0.075 . . . . . . B 25 ARG HB2 . 30502 1
245 . 1 1 25 25 ARG HB3 H 1 1.068 0.025 . . . . . . B 25 ARG HB3 . 30502 1
246 . 1 1 25 25 ARG CA C 13 53.477 0.022 . . . . . . B 25 ARG CA . 30502 1
247 . 1 1 25 25 ARG CB C 13 30.788 0.189 . . . . . . B 25 ARG CB . 30502 1
248 . 1 1 25 25 ARG N N 15 126.366 0.019 . . . . . . B 25 ARG N . 30502 1
249 . 1 1 26 26 TRP H H 1 9.366 0.001 . . . . . . B 26 TRP H . 30502 1
250 . 1 1 26 26 TRP HA H 1 4.746 0.000 . . . . . . B 26 TRP HA . 30502 1
251 . 1 1 26 26 TRP HB2 H 1 3.166 0.004 . . . . . . B 26 TRP HB2 . 30502 1
252 . 1 1 26 26 TRP HB3 H 1 3.002 0.012 . . . . . . B 26 TRP HB3 . 30502 1
253 . 1 1 26 26 TRP HD1 H 1 6.790 0.000 . . . . . . B 26 TRP HD1 . 30502 1
254 . 1 1 26 26 TRP HE1 H 1 11.004 0.002 . . . . . . B 26 TRP HE1 . 30502 1
255 . 1 1 26 26 TRP HZ2 H 1 7.525 0.000 . . . . . . B 26 TRP HZ2 . 30502 1
256 . 1 1 26 26 TRP HZ3 H 1 7.045 0.000 . . . . . . B 26 TRP HZ3 . 30502 1
257 . 1 1 26 26 TRP HH2 H 1 7.184 0.001 . . . . . . B 26 TRP HH2 . 30502 1
258 . 1 1 26 26 TRP CA C 13 56.091 0.000 . . . . . . B 26 TRP CA . 30502 1
259 . 1 1 26 26 TRP CB C 13 29.588 0.960 . . . . . . B 26 TRP CB . 30502 1
260 . 1 1 26 26 TRP CD1 C 13 126.895 0.000 . . . . . . B 26 TRP CD1 . 30502 1
261 . 1 1 26 26 TRP CZ2 C 13 115.120 0.000 . . . . . . B 26 TRP CZ2 . 30502 1
262 . 1 1 26 26 TRP CZ3 C 13 121.618 0.000 . . . . . . B 26 TRP CZ3 . 30502 1
263 . 1 1 26 26 TRP CH2 C 13 124.014 0.000 . . . . . . B 26 TRP CH2 . 30502 1
264 . 1 1 26 26 TRP N N 15 128.867 0.002 . . . . . . B 26 TRP N . 30502 1
265 . 1 1 26 26 TRP NE1 N 15 131.786 0.061 . . . . . . B 26 TRP NE1 . 30502 1
266 . 1 1 27 27 HIS H H 1 9.227 0.001 . . . . . . B 27 HIS H . 30502 1
267 . 1 1 27 27 HIS HA H 1 5.545 0.002 . . . . . . B 27 HIS HA . 30502 1
268 . 1 1 27 27 HIS HB2 H 1 3.018 0.005 . . . . . . B 27 HIS HB2 . 30502 1
269 . 1 1 27 27 HIS HB3 H 1 2.642 0.001 . . . . . . B 27 HIS HB3 . 30502 1
270 . 1 1 27 27 HIS HD2 H 1 7.274 0.001 . . . . . . B 27 HIS HD2 . 30502 1
271 . 1 1 27 27 HIS CA C 13 53.702 0.017 . . . . . . B 27 HIS CA . 30502 1
272 . 1 1 27 27 HIS CB C 13 32.426 0.036 . . . . . . B 27 HIS CB . 30502 1
273 . 1 1 27 27 HIS CD2 C 13 121.145 0.000 . . . . . . B 27 HIS CD2 . 30502 1
274 . 1 1 27 27 HIS N N 15 124.419 0.035 . . . . . . B 27 HIS N . 30502 1
275 . 1 1 28 28 CYS H H 1 8.438 0.004 . . . . . . B 28 CYS H . 30502 1
276 . 1 1 28 28 CYS HA H 1 4.590 0.006 . . . . . . B 28 CYS HA . 30502 1
277 . 1 1 28 28 CYS HB2 H 1 3.121 0.002 . . . . . . B 28 CYS HB2 . 30502 1
278 . 1 1 28 28 CYS HB3 H 1 2.446 0.004 . . . . . . B 28 CYS HB3 . 30502 1
279 . 1 1 28 28 CYS CA C 13 61.445 0.073 . . . . . . B 28 CYS CA . 30502 1
280 . 1 1 28 28 CYS CB C 13 29.585 0.009 . . . . . . B 28 CYS CB . 30502 1
281 . 1 1 28 28 CYS N N 15 128.645 0.061 . . . . . . B 28 CYS N . 30502 1
282 . 1 1 29 29 GLN H H 1 9.116 0.008 . . . . . . B 29 GLN H . 30502 1
283 . 1 1 29 29 GLN HA H 1 4.465 0.000 . . . . . . B 29 GLN HA . 30502 1
284 . 1 1 29 29 GLN HB2 H 1 2.174 0.001 . . . . . . B 29 GLN HB2 . 30502 1
285 . 1 1 29 29 GLN HB3 H 1 2.054 0.002 . . . . . . B 29 GLN HB3 . 30502 1
286 . 1 1 29 29 GLN HG2 H 1 2.455 0.004 . . . . . . B 29 GLN HG2 . 30502 1
287 . 1 1 29 29 GLN HG3 H 1 2.414 0.004 . . . . . . B 29 GLN HG3 . 30502 1
288 . 1 1 29 29 GLN HE21 H 1 6.835 0.003 . . . . . . B 29 GLN HE21 . 30502 1
289 . 1 1 29 29 GLN HE22 H 1 7.438 0.001 . . . . . . B 29 GLN HE22 . 30502 1
290 . 1 1 29 29 GLN CA C 13 56.901 0.075 . . . . . . B 29 GLN CA . 30502 1
291 . 1 1 29 29 GLN CB C 13 30.994 0.010 . . . . . . B 29 GLN CB . 30502 1
292 . 1 1 29 29 GLN CG C 13 34.311 0.006 . . . . . . B 29 GLN CG . 30502 1
293 . 1 1 29 29 GLN N N 15 127.294 0.018 . . . . . . B 29 GLN N . 30502 1
294 . 1 1 29 29 GLN NE2 N 15 111.625 0.029 . . . . . . B 29 GLN NE2 . 30502 1
295 . 1 1 30 30 ASP H H 1 8.886 0.004 . . . . . . B 30 ASP H . 30502 1
296 . 1 1 30 30 ASP HA H 1 4.701 0.000 . . . . . . B 30 ASP HA . 30502 1
297 . 1 1 30 30 ASP HB2 H 1 1.847 0.004 . . . . . . B 30 ASP HB2 . 30502 1
298 . 1 1 30 30 ASP HB3 H 1 1.243 0.001 . . . . . . B 30 ASP HB3 . 30502 1
299 . 1 1 30 30 ASP CA C 13 55.760 0.000 . . . . . . B 30 ASP CA . 30502 1
300 . 1 1 30 30 ASP CB C 13 43.669 0.061 . . . . . . B 30 ASP CB . 30502 1
301 . 1 1 30 30 ASP N N 15 122.377 0.045 . . . . . . B 30 ASP N . 30502 1
302 . 1 1 31 31 CYS H H 1 7.722 0.008 . . . . . . B 31 CYS H . 30502 1
303 . 1 1 31 31 CYS HA H 1 4.399 0.002 . . . . . . B 31 CYS HA . 30502 1
304 . 1 1 31 31 CYS HB2 H 1 2.852 0.000 . . . . . . B 31 CYS HB2 . 30502 1
305 . 1 1 31 31 CYS HB3 H 1 2.726 0.001 . . . . . . B 31 CYS HB3 . 30502 1
306 . 1 1 31 31 CYS CA C 13 64.784 0.080 . . . . . . B 31 CYS CA . 30502 1
307 . 1 1 31 31 CYS CB C 13 29.201 0.049 . . . . . . B 31 CYS CB . 30502 1
308 . 1 1 31 31 CYS N N 15 126.316 0.033 . . . . . . B 31 CYS N . 30502 1
309 . 1 1 32 32 PRO HG2 H 1 2.167 0.001 . . . . . . B 32 PRO HG2 . 30502 1
310 . 1 1 32 32 PRO HG3 H 1 2.110 0.002 . . . . . . B 32 PRO HG3 . 30502 1
311 . 1 1 32 32 PRO HD2 H 1 3.919 0.001 . . . . . . B 32 PRO HD2 . 30502 1
312 . 1 1 32 32 PRO HD3 H 1 3.662 0.004 . . . . . . B 32 PRO HD3 . 30502 1
313 . 1 1 32 32 PRO CG C 13 27.960 0.004 . . . . . . B 32 PRO CG . 30502 1
314 . 1 1 32 32 PRO CD C 13 50.869 0.041 . . . . . . B 32 PRO CD . 30502 1
315 . 1 1 33 33 PRO HA H 1 4.340 0.000 . . . . . . B 33 PRO HA . 30502 1
316 . 1 1 33 33 PRO HB2 H 1 2.395 0.001 . . . . . . B 33 PRO HB2 . 30502 1
317 . 1 1 33 33 PRO HB3 H 1 2.017 0.000 . . . . . . B 33 PRO HB3 . 30502 1
318 . 1 1 33 33 PRO HG2 H 1 2.093 0.001 . . . . . . B 33 PRO HG2 . 30502 1
319 . 1 1 33 33 PRO HD2 H 1 3.800 0.002 . . . . . . B 33 PRO HD2 . 30502 1
320 . 1 1 33 33 PRO CA C 13 65.081 0.017 . . . . . . B 33 PRO CA . 30502 1
321 . 1 1 33 33 PRO CB C 13 31.949 0.017 . . . . . . B 33 PRO CB . 30502 1
322 . 1 1 33 33 PRO CG C 13 27.486 0.005 . . . . . . B 33 PRO CG . 30502 1
323 . 1 1 33 33 PRO CD C 13 50.684 0.006 . . . . . . B 33 PRO CD . 30502 1
324 . 1 1 34 34 GLU H H 1 9.093 0.002 . . . . . . B 34 GLU H . 30502 1
325 . 1 1 34 34 GLU HA H 1 4.228 0.000 . . . . . . B 34 GLU HA . 30502 1
326 . 1 1 34 34 GLU HB2 H 1 2.092 0.001 . . . . . . B 34 GLU HB2 . 30502 1
327 . 1 1 34 34 GLU HB3 H 1 2.039 0.001 . . . . . . B 34 GLU HB3 . 30502 1
328 . 1 1 34 34 GLU HG2 H 1 2.269 0.003 . . . . . . B 34 GLU HG2 . 30502 1
329 . 1 1 34 34 GLU HG3 H 1 2.306 0.003 . . . . . . B 34 GLU HG3 . 30502 1
330 . 1 1 34 34 GLU CA C 13 58.252 0.009 . . . . . . B 34 GLU CA . 30502 1
331 . 1 1 34 34 GLU CB C 13 28.529 0.007 . . . . . . B 34 GLU CB . 30502 1
332 . 1 1 34 34 GLU CG C 13 36.254 0.085 . . . . . . B 34 GLU CG . 30502 1
333 . 1 1 34 34 GLU N N 15 116.704 0.058 . . . . . . B 34 GLU N . 30502 1
334 . 1 1 35 35 MET H H 1 8.143 0.001 . . . . . . B 35 MET H . 30502 1
335 . 1 1 35 35 MET HA H 1 4.701 0.000 . . . . . . B 35 MET HA . 30502 1
336 . 1 1 35 35 MET HB2 H 1 2.107 0.005 . . . . . . B 35 MET HB2 . 30502 1
337 . 1 1 35 35 MET HB3 H 1 1.899 0.002 . . . . . . B 35 MET HB3 . 30502 1
338 . 1 1 35 35 MET HG2 H 1 2.427 0.001 . . . . . . B 35 MET HG2 . 30502 1
339 . 1 1 35 35 MET HG3 H 1 2.528 0.001 . . . . . . B 35 MET HG3 . 30502 1
340 . 1 1 35 35 MET HE1 H 1 2.137 0.000 . . . . . . B 35 MET HE1 . 30502 1
341 . 1 1 35 35 MET HE2 H 1 2.137 0.000 . . . . . . B 35 MET HE2 . 30502 1
342 . 1 1 35 35 MET HE3 H 1 2.137 0.000 . . . . . . B 35 MET HE3 . 30502 1
343 . 1 1 35 35 MET CA C 13 53.917 0.002 . . . . . . B 35 MET CA . 30502 1
344 . 1 1 35 35 MET CB C 13 34.462 0.058 . . . . . . B 35 MET CB . 30502 1
345 . 1 1 35 35 MET CG C 13 32.171 0.039 . . . . . . B 35 MET CG . 30502 1
346 . 1 1 35 35 MET CE C 13 17.374 0.021 . . . . . . B 35 MET CE . 30502 1
347 . 1 1 35 35 MET N N 15 120.156 0.005 . . . . . . B 35 MET N . 30502 1
348 . 1 1 36 36 SER H H 1 7.936 0.009 . . . . . . B 36 SER H . 30502 1
349 . 1 1 36 36 SER HA H 1 4.328 0.003 . . . . . . B 36 SER HA . 30502 1
350 . 1 1 36 36 SER HB2 H 1 4.022 0.007 . . . . . . B 36 SER HB2 . 30502 1
351 . 1 1 36 36 SER HB3 H 1 3.625 0.004 . . . . . . B 36 SER HB3 . 30502 1
352 . 1 1 36 36 SER CA C 13 58.467 0.048 . . . . . . B 36 SER CA . 30502 1
353 . 1 1 36 36 SER CB C 13 64.031 0.096 . . . . . . B 36 SER CB . 30502 1
354 . 1 1 36 36 SER N N 15 115.145 0.044 . . . . . . B 36 SER N . 30502 1
355 . 1 1 37 37 LEU H H 1 8.604 0.015 . . . . . . B 37 LEU H . 30502 1
356 . 1 1 37 37 LEU HA H 1 4.666 0.000 . . . . . . B 37 LEU HA . 30502 1
357 . 1 1 37 37 LEU HB2 H 1 1.212 0.003 . . . . . . B 37 LEU HB2 . 30502 1
358 . 1 1 37 37 LEU HB3 H 1 1.326 0.003 . . . . . . B 37 LEU HB3 . 30502 1
359 . 1 1 37 37 LEU HG H 1 1.356 0.003 . . . . . . B 37 LEU HG . 30502 1
360 . 1 1 37 37 LEU HD11 H 1 0.544 0.011 . . . . . . B 37 LEU HD11 . 30502 1
361 . 1 1 37 37 LEU HD12 H 1 0.544 0.011 . . . . . . B 37 LEU HD12 . 30502 1
362 . 1 1 37 37 LEU HD13 H 1 0.544 0.011 . . . . . . B 37 LEU HD13 . 30502 1
363 . 1 1 37 37 LEU HD21 H 1 0.349 0.008 . . . . . . B 37 LEU HD21 . 30502 1
364 . 1 1 37 37 LEU HD22 H 1 0.349 0.008 . . . . . . B 37 LEU HD22 . 30502 1
365 . 1 1 37 37 LEU HD23 H 1 0.349 0.008 . . . . . . B 37 LEU HD23 . 30502 1
366 . 1 1 37 37 LEU CA C 13 52.020 0.003 . . . . . . B 37 LEU CA . 30502 1
367 . 1 1 37 37 LEU CB C 13 42.158 0.049 . . . . . . B 37 LEU CB . 30502 1
368 . 1 1 37 37 LEU CG C 13 27.313 0.043 . . . . . . B 37 LEU CG . 30502 1
369 . 1 1 37 37 LEU CD1 C 13 23.172 0.049 . . . . . . B 37 LEU CD1 . 30502 1
370 . 1 1 37 37 LEU CD2 C 13 23.523 0.062 . . . . . . B 37 LEU CD2 . 30502 1
371 . 1 1 38 38 ASP H H 1 8.846 0.017 . . . . . . B 38 ASP H . 30502 1
372 . 1 1 38 38 ASP HA H 1 5.722 0.005 . . . . . . B 38 ASP HA . 30502 1
373 . 1 1 38 38 ASP HB2 H 1 2.121 0.003 . . . . . . B 38 ASP HB2 . 30502 1
374 . 1 1 38 38 ASP HB3 H 1 1.871 0.003 . . . . . . B 38 ASP HB3 . 30502 1
375 . 1 1 38 38 ASP CA C 13 52.021 0.028 . . . . . . B 38 ASP CA . 30502 1
376 . 1 1 38 38 ASP CB C 13 46.855 0.007 . . . . . . B 38 ASP CB . 30502 1
377 . 1 1 38 38 ASP N N 15 120.511 0.079 . . . . . . B 38 ASP N . 30502 1
378 . 1 1 39 39 PHE H H 1 9.517 0.003 . . . . . . B 39 PHE H . 30502 1
379 . 1 1 39 39 PHE HA H 1 6.370 0.001 . . . . . . B 39 PHE HA . 30502 1
380 . 1 1 39 39 PHE HB2 H 1 3.190 0.001 . . . . . . B 39 PHE HB2 . 30502 1
381 . 1 1 39 39 PHE HB3 H 1 2.542 0.001 . . . . . . B 39 PHE HB3 . 30502 1
382 . 1 1 39 39 PHE HD1 H 1 7.139 0.001 . . . . . . B 39 PHE HD1 . 30502 1
383 . 1 1 39 39 PHE HD2 H 1 7.139 0.001 . . . . . . B 39 PHE HD2 . 30502 1
384 . 1 1 39 39 PHE HE1 H 1 6.680 0.001 . . . . . . B 39 PHE HE1 . 30502 1
385 . 1 1 39 39 PHE HE2 H 1 6.680 0.001 . . . . . . B 39 PHE HE2 . 30502 1
386 . 1 1 39 39 PHE HZ H 1 6.805 0.000 . . . . . . B 39 PHE HZ . 30502 1
387 . 1 1 39 39 PHE CA C 13 54.788 0.029 . . . . . . B 39 PHE CA . 30502 1
388 . 1 1 39 39 PHE CB C 13 43.282 0.123 . . . . . . B 39 PHE CB . 30502 1
389 . 1 1 39 39 PHE CD1 C 13 132.194 0.000 . . . . . . B 39 PHE CD1 . 30502 1
390 . 1 1 39 39 PHE CE1 C 13 130.151 0.000 . . . . . . B 39 PHE CE1 . 30502 1
391 . 1 1 39 39 PHE CZ C 13 128.743 0.000 . . . . . . B 39 PHE CZ . 30502 1
392 . 1 1 39 39 PHE N N 15 117.934 0.083 . . . . . . B 39 PHE N . 30502 1
393 . 1 1 40 40 CYS H H 1 9.331 0.001 . . . . . . B 40 CYS H . 30502 1
394 . 1 1 40 40 CYS HA H 1 5.029 0.005 . . . . . . B 40 CYS HA . 30502 1
395 . 1 1 40 40 CYS HB2 H 1 3.684 0.003 . . . . . . B 40 CYS HB2 . 30502 1
396 . 1 1 40 40 CYS HB3 H 1 2.822 0.001 . . . . . . B 40 CYS HB3 . 30502 1
397 . 1 1 40 40 CYS CA C 13 57.669 0.032 . . . . . . B 40 CYS CA . 30502 1
398 . 1 1 40 40 CYS CB C 13 31.995 0.049 . . . . . . B 40 CYS CB . 30502 1
399 . 1 1 40 40 CYS N N 15 121.415 0.082 . . . . . . B 40 CYS N . 30502 1
400 . 1 1 41 41 ASP H H 1 9.582 0.014 . . . . . . B 41 ASP H . 30502 1
401 . 1 1 41 41 ASP HA H 1 4.588 0.000 . . . . . . B 41 ASP HA . 30502 1
402 . 1 1 41 41 ASP HB2 H 1 3.147 0.005 . . . . . . B 41 ASP HB2 . 30502 1
403 . 1 1 41 41 ASP HB3 H 1 2.859 0.000 . . . . . . B 41 ASP HB3 . 30502 1
404 . 1 1 41 41 ASP CA C 13 58.511 0.002 . . . . . . B 41 ASP CA . 30502 1
405 . 1 1 41 41 ASP CB C 13 42.727 0.025 . . . . . . B 41 ASP CB . 30502 1
406 . 1 1 41 41 ASP N N 15 119.150 0.057 . . . . . . B 41 ASP N . 30502 1
407 . 1 1 42 42 SER H H 1 8.606 0.001 . . . . . . B 42 SER H . 30502 1
408 . 1 1 42 42 SER HA H 1 4.349 0.005 . . . . . . B 42 SER HA . 30502 1
409 . 1 1 42 42 SER HB2 H 1 4.146 0.001 . . . . . . B 42 SER HB2 . 30502 1
410 . 1 1 42 42 SER HB3 H 1 4.031 0.000 . . . . . . B 42 SER HB3 . 30502 1
411 . 1 1 42 42 SER CA C 13 61.399 0.020 . . . . . . B 42 SER CA . 30502 1
412 . 1 1 42 42 SER CB C 13 63.198 0.048 . . . . . . B 42 SER CB . 30502 1
413 . 1 1 42 42 SER N N 15 115.155 0.027 . . . . . . B 42 SER N . 30502 1
414 . 1 1 43 43 CYS H H 1 8.066 0.003 . . . . . . B 43 CYS H . 30502 1
415 . 1 1 43 43 CYS HA H 1 4.301 0.004 . . . . . . B 43 CYS HA . 30502 1
416 . 1 1 43 43 CYS HB2 H 1 3.038 0.001 . . . . . . B 43 CYS HB2 . 30502 1
417 . 1 1 43 43 CYS HB3 H 1 3.098 0.005 . . . . . . B 43 CYS HB3 . 30502 1
418 . 1 1 43 43 CYS CA C 13 60.982 0.039 . . . . . . B 43 CYS CA . 30502 1
419 . 1 1 43 43 CYS CB C 13 31.420 0.041 . . . . . . B 43 CYS CB . 30502 1
420 . 1 1 43 43 CYS N N 15 121.455 0.055 . . . . . . B 43 CYS N . 30502 1
421 . 1 1 44 44 SER H H 1 7.475 0.005 . . . . . . B 44 SER H . 30502 1
422 . 1 1 44 44 SER HA H 1 4.591 0.000 . . . . . . B 44 SER HA . 30502 1
423 . 1 1 44 44 SER HB2 H 1 3.228 0.002 . . . . . . B 44 SER HB2 . 30502 1
424 . 1 1 44 44 SER HB3 H 1 2.414 0.006 . . . . . . B 44 SER HB3 . 30502 1
425 . 1 1 44 44 SER CA C 13 58.364 0.002 . . . . . . B 44 SER CA . 30502 1
426 . 1 1 44 44 SER CB C 13 62.074 0.056 . . . . . . B 44 SER CB . 30502 1
427 . 1 1 44 44 SER N N 15 116.271 0.039 . . . . . . B 44 SER N . 30502 1
428 . 1 1 45 45 ASP H H 1 7.673 0.001 . . . . . . B 45 ASP H . 30502 1
429 . 1 1 45 45 ASP HA H 1 4.567 0.018 . . . . . . B 45 ASP HA . 30502 1
430 . 1 1 45 45 ASP HB2 H 1 2.547 0.000 . . . . . . B 45 ASP HB2 . 30502 1
431 . 1 1 45 45 ASP HB3 H 1 2.480 0.021 . . . . . . B 45 ASP HB3 . 30502 1
432 . 1 1 45 45 ASP CA C 13 52.912 0.144 . . . . . . B 45 ASP CA . 30502 1
433 . 1 1 45 45 ASP CB C 13 40.610 0.115 . . . . . . B 45 ASP CB . 30502 1
434 . 1 1 45 45 ASP N N 15 119.436 0.014 . . . . . . B 45 ASP N . 30502 1
435 . 1 1 46 46 CYS H H 1 7.261 0.003 . . . . . . B 46 CYS H . 30502 1
436 . 1 1 46 46 CYS HA H 1 4.270 0.005 . . . . . . B 46 CYS HA . 30502 1
437 . 1 1 46 46 CYS HB2 H 1 2.752 0.001 . . . . . . B 46 CYS HB2 . 30502 1
438 . 1 1 46 46 CYS HB3 H 1 2.630 0.005 . . . . . . B 46 CYS HB3 . 30502 1
439 . 1 1 46 46 CYS CA C 13 58.261 0.029 . . . . . . B 46 CYS CA . 30502 1
440 . 1 1 46 46 CYS CB C 13 28.604 0.036 . . . . . . B 46 CYS CB . 30502 1
441 . 1 1 46 46 CYS N N 15 117.395 0.035 . . . . . . B 46 CYS N . 30502 1
442 . 1 1 47 47 LEU H H 1 8.333 0.002 . . . . . . B 47 LEU H . 30502 1
443 . 1 1 47 47 LEU HA H 1 4.253 0.004 . . . . . . B 47 LEU HA . 30502 1
444 . 1 1 47 47 LEU HB2 H 1 1.623 0.001 . . . . . . B 47 LEU HB2 . 30502 1
445 . 1 1 47 47 LEU HB3 H 1 1.498 0.004 . . . . . . B 47 LEU HB3 . 30502 1
446 . 1 1 47 47 LEU HG H 1 1.487 0.001 . . . . . . B 47 LEU HG . 30502 1
447 . 1 1 47 47 LEU HD11 H 1 0.794 0.002 . . . . . . B 47 LEU HD11 . 30502 1
448 . 1 1 47 47 LEU HD12 H 1 0.794 0.002 . . . . . . B 47 LEU HD12 . 30502 1
449 . 1 1 47 47 LEU HD13 H 1 0.794 0.002 . . . . . . B 47 LEU HD13 . 30502 1
450 . 1 1 47 47 LEU CA C 13 54.856 0.021 . . . . . . B 47 LEU CA . 30502 1
451 . 1 1 47 47 LEU CB C 13 41.255 0.034 . . . . . . B 47 LEU CB . 30502 1
452 . 1 1 47 47 LEU CG C 13 27.045 0.038 . . . . . . B 47 LEU CG . 30502 1
453 . 1 1 47 47 LEU CD1 C 13 24.508 0.032 . . . . . . B 47 LEU CD1 . 30502 1
454 . 1 1 47 47 LEU N N 15 123.153 0.067 . . . . . . B 47 LEU N . 30502 1
455 . 1 1 48 48 HIS H H 1 8.605 0.065 . . . . . . B 48 HIS H . 30502 1
456 . 1 1 48 48 HIS HA H 1 4.613 0.011 . . . . . . B 48 HIS HA . 30502 1
457 . 1 1 48 48 HIS HB2 H 1 3.211 0.031 . . . . . . B 48 HIS HB2 . 30502 1
458 . 1 1 48 48 HIS HB3 H 1 2.998 0.006 . . . . . . B 48 HIS HB3 . 30502 1
459 . 1 1 48 48 HIS HD2 H 1 6.705 0.006 . . . . . . B 48 HIS HD2 . 30502 1
460 . 1 1 48 48 HIS CA C 13 55.725 0.234 . . . . . . B 48 HIS CA . 30502 1
461 . 1 1 48 48 HIS CB C 13 29.978 0.478 . . . . . . B 48 HIS CB . 30502 1
462 . 1 1 48 48 HIS N N 15 125.630 0.289 . . . . . . B 48 HIS N . 30502 1
463 . 1 1 49 49 GLU H H 1 8.317 0.042 . . . . . . B 49 GLU H . 30502 1
464 . 1 1 49 49 GLU HA H 1 4.609 0.032 . . . . . . B 49 GLU HA . 30502 1
465 . 1 1 49 49 GLU HB2 H 1 2.050 0.010 . . . . . . B 49 GLU HB2 . 30502 1
466 . 1 1 49 49 GLU HB3 H 1 1.902 0.012 . . . . . . B 49 GLU HB3 . 30502 1
467 . 1 1 49 49 GLU HG2 H 1 2.354 0.007 . . . . . . B 49 GLU HG2 . 30502 1
468 . 1 1 49 49 GLU HG3 H 1 1.995 0.001 . . . . . . B 49 GLU HG3 . 30502 1
469 . 1 1 49 49 GLU CA C 13 56.098 0.180 . . . . . . B 49 GLU CA . 30502 1
470 . 1 1 49 49 GLU CB C 13 31.986 0.302 . . . . . . B 49 GLU CB . 30502 1
471 . 1 1 49 49 GLU CG C 13 37.333 0.028 . . . . . . B 49 GLU CG . 30502 1
472 . 1 1 49 49 GLU N N 15 122.918 0.316 . . . . . . B 49 GLU N . 30502 1
473 . 1 1 50 50 THR H H 1 9.103 0.009 . . . . . . B 50 THR H . 30502 1
474 . 1 1 50 50 THR HA H 1 4.818 0.007 . . . . . . B 50 THR HA . 30502 1
475 . 1 1 50 50 THR HG21 H 1 1.207 0.001 . . . . . . B 50 THR HG21 . 30502 1
476 . 1 1 50 50 THR HG22 H 1 1.207 0.001 . . . . . . B 50 THR HG22 . 30502 1
477 . 1 1 50 50 THR HG23 H 1 1.207 0.001 . . . . . . B 50 THR HG23 . 30502 1
478 . 1 1 50 50 THR CA C 13 58.800 0.053 . . . . . . B 50 THR CA . 30502 1
479 . 1 1 50 50 THR CB C 13 72.081 0.000 . . . . . . B 50 THR CB . 30502 1
480 . 1 1 50 50 THR CG2 C 13 21.967 0.016 . . . . . . B 50 THR CG2 . 30502 1
481 . 1 1 50 50 THR N N 15 114.788 0.056 . . . . . . B 50 THR N . 30502 1
482 . 1 1 51 51 ASP H H 1 8.781 0.004 . . . . . . B 51 ASP H . 30502 1
483 . 1 1 51 51 ASP HA H 1 4.306 0.000 . . . . . . B 51 ASP HA . 30502 1
484 . 1 1 51 51 ASP HB2 H 1 2.638 0.000 . . . . . . B 51 ASP HB2 . 30502 1
485 . 1 1 51 51 ASP HB3 H 1 2.723 0.000 . . . . . . B 51 ASP HB3 . 30502 1
486 . 1 1 51 51 ASP CA C 13 56.925 0.004 . . . . . . B 51 ASP CA . 30502 1
487 . 1 1 51 51 ASP CB C 13 39.751 0.001 . . . . . . B 51 ASP CB . 30502 1
488 . 1 1 51 51 ASP N N 15 117.369 0.048 . . . . . . B 51 ASP N . 30502 1
489 . 1 1 52 52 ILE H H 1 7.690 0.003 . . . . . . B 52 ILE H . 30502 1
490 . 1 1 52 52 ILE HA H 1 4.186 0.001 . . . . . . B 52 ILE HA . 30502 1
491 . 1 1 52 52 ILE HB H 1 1.730 0.002 . . . . . . B 52 ILE HB . 30502 1
492 . 1 1 52 52 ILE HG12 H 1 1.535 0.003 . . . . . . B 52 ILE HG12 . 30502 1
493 . 1 1 52 52 ILE HG13 H 1 1.219 0.000 . . . . . . B 52 ILE HG13 . 30502 1
494 . 1 1 52 52 ILE HG21 H 1 1.195 0.000 . . . . . . B 52 ILE HG21 . 30502 1
495 . 1 1 52 52 ILE HG22 H 1 1.195 0.000 . . . . . . B 52 ILE HG22 . 30502 1
496 . 1 1 52 52 ILE HG23 H 1 1.195 0.000 . . . . . . B 52 ILE HG23 . 30502 1
497 . 1 1 52 52 ILE HD11 H 1 0.879 0.001 . . . . . . B 52 ILE HD11 . 30502 1
498 . 1 1 52 52 ILE HD12 H 1 0.879 0.001 . . . . . . B 52 ILE HD12 . 30502 1
499 . 1 1 52 52 ILE HD13 H 1 0.879 0.001 . . . . . . B 52 ILE HD13 . 30502 1
500 . 1 1 52 52 ILE CA C 13 61.122 0.008 . . . . . . B 52 ILE CA . 30502 1
501 . 1 1 52 52 ILE CB C 13 40.485 0.008 . . . . . . B 52 ILE CB . 30502 1
502 . 1 1 52 52 ILE CG1 C 13 27.654 0.036 . . . . . . B 52 ILE CG1 . 30502 1
503 . 1 1 52 52 ILE CG2 C 13 18.602 0.011 . . . . . . B 52 ILE CG2 . 30502 1
504 . 1 1 52 52 ILE CD1 C 13 12.427 0.011 . . . . . . B 52 ILE CD1 . 30502 1
505 . 1 1 52 52 ILE N N 15 115.728 0.049 . . . . . . B 52 ILE N . 30502 1
506 . 1 1 53 53 HIS H H 1 7.980 0.002 . . . . . . B 53 HIS H . 30502 1
507 . 1 1 53 53 HIS HA H 1 4.125 0.007 . . . . . . B 53 HIS HA . 30502 1
508 . 1 1 53 53 HIS HB2 H 1 2.807 0.001 . . . . . . B 53 HIS HB2 . 30502 1
509 . 1 1 53 53 HIS HB3 H 1 3.126 0.007 . . . . . . B 53 HIS HB3 . 30502 1
510 . 1 1 53 53 HIS HD2 H 1 7.695 0.001 . . . . . . B 53 HIS HD2 . 30502 1
511 . 1 1 53 53 HIS HE1 H 1 8.320 0.001 . . . . . . B 53 HIS HE1 . 30502 1
512 . 1 1 53 53 HIS CA C 13 56.733 0.021 . . . . . . B 53 HIS CA . 30502 1
513 . 1 1 53 53 HIS CB C 13 30.905 0.022 . . . . . . B 53 HIS CB . 30502 1
514 . 1 1 53 53 HIS CD2 C 13 121.131 0.000 . . . . . . B 53 HIS CD2 . 30502 1
515 . 1 1 53 53 HIS CE1 C 13 140.917 0.000 . . . . . . B 53 HIS CE1 . 30502 1
516 . 1 1 53 53 HIS N N 15 119.989 0.022 . . . . . . B 53 HIS N . 30502 1
517 . 1 1 54 54 LYS HA H 1 4.552 0.011 . . . . . . B 54 LYS HA . 30502 1
518 . 1 1 54 54 LYS HB2 H 1 1.811 0.000 . . . . . . B 54 LYS HB2 . 30502 1
519 . 1 1 54 54 LYS HB3 H 1 1.318 0.005 . . . . . . B 54 LYS HB3 . 30502 1
520 . 1 1 54 54 LYS HG2 H 1 1.000 0.002 . . . . . . B 54 LYS HG2 . 30502 1
521 . 1 1 54 54 LYS HG3 H 1 1.350 0.000 . . . . . . B 54 LYS HG3 . 30502 1
522 . 1 1 54 54 LYS HD2 H 1 1.590 0.043 . . . . . . B 54 LYS HD2 . 30502 1
523 . 1 1 54 54 LYS HD3 H 1 1.444 0.001 . . . . . . B 54 LYS HD3 . 30502 1
524 . 1 1 54 54 LYS HE2 H 1 2.692 0.000 . . . . . . B 54 LYS HE2 . 30502 1
525 . 1 1 54 54 LYS HE3 H 1 2.876 0.002 . . . . . . B 54 LYS HE3 . 30502 1
526 . 1 1 54 54 LYS CA C 13 52.023 0.055 . . . . . . B 54 LYS CA . 30502 1
527 . 1 1 54 54 LYS CB C 13 35.258 0.047 . . . . . . B 54 LYS CB . 30502 1
528 . 1 1 54 54 LYS CG C 13 23.601 0.009 . . . . . . B 54 LYS CG . 30502 1
529 . 1 1 54 54 LYS CD C 13 27.630 0.247 . . . . . . B 54 LYS CD . 30502 1
530 . 1 1 54 54 LYS CE C 13 42.559 0.027 . . . . . . B 54 LYS CE . 30502 1
531 . 1 1 55 55 GLU H H 1 9.312 0.015 . . . . . . B 55 GLU H . 30502 1
532 . 1 1 55 55 GLU HA H 1 3.905 0.004 . . . . . . B 55 GLU HA . 30502 1
533 . 1 1 55 55 GLU HB2 H 1 1.875 0.005 . . . . . . B 55 GLU HB2 . 30502 1
534 . 1 1 55 55 GLU HB3 H 1 1.999 0.003 . . . . . . B 55 GLU HB3 . 30502 1
535 . 1 1 55 55 GLU CA C 13 58.537 0.032 . . . . . . B 55 GLU CA . 30502 1
536 . 1 1 55 55 GLU CB C 13 29.324 0.055 . . . . . . B 55 GLU CB . 30502 1
537 . 1 1 55 55 GLU N N 15 119.556 0.043 . . . . . . B 55 GLU N . 30502 1
538 . 1 1 56 56 ASP H H 1 7.911 0.001 . . . . . . B 56 ASP H . 30502 1
539 . 1 1 56 56 ASP HA H 1 4.485 0.001 . . . . . . B 56 ASP HA . 30502 1
540 . 1 1 56 56 ASP HB2 H 1 2.548 0.003 . . . . . . B 56 ASP HB2 . 30502 1
541 . 1 1 56 56 ASP HB3 H 1 2.847 0.002 . . . . . . B 56 ASP HB3 . 30502 1
542 . 1 1 56 56 ASP CA C 13 53.314 0.028 . . . . . . B 56 ASP CA . 30502 1
543 . 1 1 56 56 ASP CB C 13 39.688 0.036 . . . . . . B 56 ASP CB . 30502 1
544 . 1 1 56 56 ASP N N 15 114.104 0.023 . . . . . . B 56 ASP N . 30502 1
545 . 1 1 57 57 HIS H H 1 7.704 0.005 . . . . . . B 57 HIS H . 30502 1
546 . 1 1 57 57 HIS HA H 1 4.691 0.000 . . . . . . B 57 HIS HA . 30502 1
547 . 1 1 57 57 HIS HB2 H 1 3.988 0.004 . . . . . . B 57 HIS HB2 . 30502 1
548 . 1 1 57 57 HIS HB3 H 1 3.109 0.005 . . . . . . B 57 HIS HB3 . 30502 1
549 . 1 1 57 57 HIS HD2 H 1 7.107 0.000 . . . . . . B 57 HIS HD2 . 30502 1
550 . 1 1 57 57 HIS HE1 H 1 8.171 0.000 . . . . . . B 57 HIS HE1 . 30502 1
551 . 1 1 57 57 HIS CA C 13 55.986 0.001 . . . . . . B 57 HIS CA . 30502 1
552 . 1 1 57 57 HIS CB C 13 31.837 0.011 . . . . . . B 57 HIS CB . 30502 1
553 . 1 1 57 57 HIS CD2 C 13 117.634 0.000 . . . . . . B 57 HIS CD2 . 30502 1
554 . 1 1 57 57 HIS CE1 C 13 140.143 0.000 . . . . . . B 57 HIS CE1 . 30502 1
555 . 1 1 57 57 HIS N N 15 120.790 0.001 . . . . . . B 57 HIS N . 30502 1
556 . 1 1 58 58 GLN H H 1 9.292 0.007 . . . . . . B 58 GLN H . 30502 1
557 . 1 1 58 58 GLN HA H 1 4.474 0.005 . . . . . . B 58 GLN HA . 30502 1
558 . 1 1 58 58 GLN HB2 H 1 2.051 0.005 . . . . . . B 58 GLN HB2 . 30502 1
559 . 1 1 58 58 GLN HG2 H 1 2.404 0.004 . . . . . . B 58 GLN HG2 . 30502 1
560 . 1 1 58 58 GLN HG3 H 1 2.331 0.001 . . . . . . B 58 GLN HG3 . 30502 1
561 . 1 1 58 58 GLN HE21 H 1 7.777 0.001 . . . . . . B 58 GLN HE21 . 30502 1
562 . 1 1 58 58 GLN HE22 H 1 6.853 0.000 . . . . . . B 58 GLN HE22 . 30502 1
563 . 1 1 58 58 GLN CA C 13 55.344 0.045 . . . . . . B 58 GLN CA . 30502 1
564 . 1 1 58 58 GLN CB C 13 30.658 0.087 . . . . . . B 58 GLN CB . 30502 1
565 . 1 1 58 58 GLN CG C 13 34.278 0.042 . . . . . . B 58 GLN CG . 30502 1
566 . 1 1 58 58 GLN N N 15 124.209 0.023 . . . . . . B 58 GLN N . 30502 1
567 . 1 1 58 58 GLN NE2 N 15 113.370 0.007 . . . . . . B 58 GLN NE2 . 30502 1
568 . 1 1 59 59 LEU H H 1 8.699 0.003 . . . . . . B 59 LEU H . 30502 1
569 . 1 1 59 59 LEU HA H 1 5.138 0.000 . . . . . . B 59 LEU HA . 30502 1
570 . 1 1 59 59 LEU HB2 H 1 1.474 0.005 . . . . . . B 59 LEU HB2 . 30502 1
571 . 1 1 59 59 LEU HB3 H 1 2.139 0.002 . . . . . . B 59 LEU HB3 . 30502 1
572 . 1 1 59 59 LEU HG H 1 1.962 0.003 . . . . . . B 59 LEU HG . 30502 1
573 . 1 1 59 59 LEU HD21 H 1 0.928 0.004 . . . . . . B 59 LEU HD21 . 30502 1
574 . 1 1 59 59 LEU HD22 H 1 0.928 0.004 . . . . . . B 59 LEU HD22 . 30502 1
575 . 1 1 59 59 LEU HD23 H 1 0.928 0.004 . . . . . . B 59 LEU HD23 . 30502 1
576 . 1 1 59 59 LEU CA C 13 53.246 0.003 . . . . . . B 59 LEU CA . 30502 1
577 . 1 1 59 59 LEU CB C 13 44.849 0.075 . . . . . . B 59 LEU CB . 30502 1
578 . 1 1 59 59 LEU CG C 13 27.352 0.015 . . . . . . B 59 LEU CG . 30502 1
579 . 1 1 59 59 LEU CD2 C 13 22.300 0.060 . . . . . . B 59 LEU CD2 . 30502 1
580 . 1 1 59 59 LEU N N 15 122.965 0.084 . . . . . . B 59 LEU N . 30502 1
581 . 1 1 60 60 GLU H H 1 9.365 0.012 . . . . . . B 60 GLU H . 30502 1
582 . 1 1 60 60 GLU HA H 1 5.181 0.011 . . . . . . B 60 GLU HA . 30502 1
583 . 1 1 60 60 GLU HB2 H 1 2.070 0.006 . . . . . . B 60 GLU HB2 . 30502 1
584 . 1 1 60 60 GLU HB3 H 1 1.997 0.003 . . . . . . B 60 GLU HB3 . 30502 1
585 . 1 1 60 60 GLU HG2 H 1 2.330 0.013 . . . . . . B 60 GLU HG2 . 30502 1
586 . 1 1 60 60 GLU HG3 H 1 2.262 0.014 . . . . . . B 60 GLU HG3 . 30502 1
587 . 1 1 60 60 GLU CA C 13 51.899 0.004 . . . . . . B 60 GLU CA . 30502 1
588 . 1 1 60 60 GLU CB C 13 32.370 0.186 . . . . . . B 60 GLU CB . 30502 1
589 . 1 1 60 60 GLU CG C 13 34.752 0.243 . . . . . . B 60 GLU CG . 30502 1
590 . 1 1 60 60 GLU N N 15 123.282 0.094 . . . . . . B 60 GLU N . 30502 1
591 . 1 1 61 61 PRO HA H 1 3.528 0.007 . . . . . . B 61 PRO HA . 30502 1
592 . 1 1 61 61 PRO HB2 H 1 0.533 0.004 . . . . . . B 61 PRO HB2 . 30502 1
593 . 1 1 61 61 PRO HB3 H 1 -0.457 0.001 . . . . . . B 61 PRO HB3 . 30502 1
594 . 1 1 61 61 PRO HG2 H 1 2.031 0.007 . . . . . . B 61 PRO HG2 . 30502 1
595 . 1 1 61 61 PRO HG3 H 1 1.719 0.010 . . . . . . B 61 PRO HG3 . 30502 1
596 . 1 1 61 61 PRO HD2 H 1 3.731 0.001 . . . . . . B 61 PRO HD2 . 30502 1
597 . 1 1 61 61 PRO HD3 H 1 3.686 0.004 . . . . . . B 61 PRO HD3 . 30502 1
598 . 1 1 61 61 PRO CA C 13 61.659 0.004 . . . . . . B 61 PRO CA . 30502 1
599 . 1 1 61 61 PRO CB C 13 29.836 0.020 . . . . . . B 61 PRO CB . 30502 1
600 . 1 1 61 61 PRO CG C 13 26.462 0.054 . . . . . . B 61 PRO CG . 30502 1
601 . 1 1 61 61 PRO CD C 13 50.265 0.048 . . . . . . B 61 PRO CD . 30502 1
602 . 1 1 62 62 ILE H H 1 8.736 0.001 . . . . . . B 62 ILE H . 30502 1
603 . 1 1 62 62 ILE HA H 1 3.963 0.001 . . . . . . B 62 ILE HA . 30502 1
604 . 1 1 62 62 ILE HB H 1 1.539 0.004 . . . . . . B 62 ILE HB . 30502 1
605 . 1 1 62 62 ILE HG12 H 1 1.159 0.001 . . . . . . B 62 ILE HG12 . 30502 1
606 . 1 1 62 62 ILE HG13 H 1 1.022 0.002 . . . . . . B 62 ILE HG13 . 30502 1
607 . 1 1 62 62 ILE HG21 H 1 0.862 0.006 . . . . . . B 62 ILE HG21 . 30502 1
608 . 1 1 62 62 ILE HG22 H 1 0.862 0.006 . . . . . . B 62 ILE HG22 . 30502 1
609 . 1 1 62 62 ILE HG23 H 1 0.862 0.006 . . . . . . B 62 ILE HG23 . 30502 1
610 . 1 1 62 62 ILE HD11 H 1 0.461 0.001 . . . . . . B 62 ILE HD11 . 30502 1
611 . 1 1 62 62 ILE HD12 H 1 0.461 0.001 . . . . . . B 62 ILE HD12 . 30502 1
612 . 1 1 62 62 ILE HD13 H 1 0.461 0.001 . . . . . . B 62 ILE HD13 . 30502 1
613 . 1 1 62 62 ILE CA C 13 60.472 0.020 . . . . . . B 62 ILE CA . 30502 1
614 . 1 1 62 62 ILE CB C 13 38.113 0.011 . . . . . . B 62 ILE CB . 30502 1
615 . 1 1 62 62 ILE CG1 C 13 26.724 0.056 . . . . . . B 62 ILE CG1 . 30502 1
616 . 1 1 62 62 ILE CG2 C 13 17.672 0.086 . . . . . . B 62 ILE CG2 . 30502 1
617 . 1 1 62 62 ILE CD1 C 13 12.109 0.001 . . . . . . B 62 ILE CD1 . 30502 1
618 . 1 1 62 62 ILE N N 15 124.642 0.016 . . . . . . B 62 ILE N . 30502 1
619 . 1 1 63 63 TYR H H 1 8.540 0.000 . . . . . . B 63 TYR H . 30502 1
620 . 1 1 63 63 TYR HA H 1 4.383 0.003 . . . . . . B 63 TYR HA . 30502 1
621 . 1 1 63 63 TYR HB2 H 1 3.101 0.004 . . . . . . B 63 TYR HB2 . 30502 1
622 . 1 1 63 63 TYR HB3 H 1 2.696 0.000 . . . . . . B 63 TYR HB3 . 30502 1
623 . 1 1 63 63 TYR HD1 H 1 7.033 0.001 . . . . . . B 63 TYR HD1 . 30502 1
624 . 1 1 63 63 TYR HD2 H 1 7.033 0.001 . . . . . . B 63 TYR HD2 . 30502 1
625 . 1 1 63 63 TYR HE1 H 1 6.656 0.001 . . . . . . B 63 TYR HE1 . 30502 1
626 . 1 1 63 63 TYR HE2 H 1 6.656 0.001 . . . . . . B 63 TYR HE2 . 30502 1
627 . 1 1 63 63 TYR CA C 13 59.153 0.008 . . . . . . B 63 TYR CA . 30502 1
628 . 1 1 63 63 TYR CB C 13 39.600 0.041 . . . . . . B 63 TYR CB . 30502 1
629 . 1 1 63 63 TYR CD1 C 13 133.045 0.000 . . . . . . B 63 TYR CD1 . 30502 1
630 . 1 1 63 63 TYR CE1 C 13 118.023 0.000 . . . . . . B 63 TYR CE1 . 30502 1
631 . 1 1 63 63 TYR N N 15 125.599 0.119 . . . . . . B 63 TYR N . 30502 1
632 . 1 1 64 64 ARG H H 1 7.439 0.006 . . . . . . B 64 ARG H . 30502 1
633 . 1 1 64 64 ARG HA H 1 4.082 0.001 . . . . . . B 64 ARG HA . 30502 1
634 . 1 1 64 64 ARG HB2 H 1 1.632 0.002 . . . . . . B 64 ARG HB2 . 30502 1
635 . 1 1 64 64 ARG HB3 H 1 1.795 0.001 . . . . . . B 64 ARG HB3 . 30502 1
636 . 1 1 64 64 ARG HG2 H 1 1.451 0.003 . . . . . . B 64 ARG HG2 . 30502 1
637 . 1 1 64 64 ARG HG3 H 1 1.394 0.004 . . . . . . B 64 ARG HG3 . 30502 1
638 . 1 1 64 64 ARG HD2 H 1 3.104 0.001 . . . . . . B 64 ARG HD2 . 30502 1
639 . 1 1 64 64 ARG CA C 13 56.880 0.025 . . . . . . B 64 ARG CA . 30502 1
640 . 1 1 64 64 ARG CB C 13 32.000 0.032 . . . . . . B 64 ARG CB . 30502 1
641 . 1 1 64 64 ARG CG C 13 26.663 0.031 . . . . . . B 64 ARG CG . 30502 1
642 . 1 1 64 64 ARG CD C 13 43.447 0.005 . . . . . . B 64 ARG CD . 30502 1
643 . 1 1 64 64 ARG N N 15 122.016 0.171 . . . . . . B 64 ARG N . 30502 1
644 . 2 2 1 1 ALA HA H 1 4.193 0.002 . . . . . . A 65 ALA HA . 30502 1
645 . 2 2 1 1 ALA HB1 H 1 1.522 0.007 . . . . . . A 65 ALA HB1 . 30502 1
646 . 2 2 1 1 ALA HB2 H 1 1.522 0.007 . . . . . . A 65 ALA HB2 . 30502 1
647 . 2 2 1 1 ALA HB3 H 1 1.522 0.007 . . . . . . A 65 ALA HB3 . 30502 1
648 . 2 2 2 2 ARG HA H 1 4.488 0.007 . . . . . . A 66 ARG HA . 30502 1
649 . 2 2 2 2 ARG HB2 H 1 1.810 0.015 . . . . . . A 66 ARG HB2 . 30502 1
650 . 2 2 2 2 ARG HG2 H 1 1.557 0.002 . . . . . . A 66 ARG HG2 . 30502 1
651 . 2 2 2 2 ARG HD2 H 1 3.139 0.007 . . . . . . A 66 ARG HD2 . 30502 1
652 . 2 2 3 3 THR HA H 1 4.327 0.005 . . . . . . A 67 THR HA . 30502 1
653 . 2 2 3 3 THR HB H 1 4.177 0.006 . . . . . . A 67 THR HB . 30502 1
654 . 2 2 3 3 THR HG21 H 1 1.144 0.005 . . . . . . A 67 THR HG21 . 30502 1
655 . 2 2 3 3 THR HG22 H 1 1.144 0.005 . . . . . . A 67 THR HG22 . 30502 1
656 . 2 2 3 3 THR HG23 H 1 1.144 0.005 . . . . . . A 67 THR HG23 . 30502 1
657 . 2 2 4 4 ALY HCA H 1 4.343 0.000 . . . . . . A 68 ALY HCA . 30502 1
658 . 2 2 4 4 ALY HD2 H 1 1.673 0.001 . . . . . . A 68 ALY HD2 . 30502 1
659 . 2 2 4 4 ALY HE2 H 1 2.956 0.005 . . . . . . A 68 ALY HE2 . 30502 1
660 . 2 2 4 4 ALY HG2 H 1 1.410 0.008 . . . . . . A 68 ALY HG2 . 30502 1
661 . 2 2 6 6 THR HA H 1 4.297 0.000 . . . . . . A 70 THR HA . 30502 1
662 . 2 2 6 6 THR HB H 1 4.184 0.000 . . . . . . A 70 THR HB . 30502 1
663 . 2 2 6 6 THR HG21 H 1 1.184 0.000 . . . . . . A 70 THR HG21 . 30502 1
664 . 2 2 6 6 THR HG22 H 1 1.184 0.000 . . . . . . A 70 THR HG22 . 30502 1
665 . 2 2 6 6 THR HG23 H 1 1.184 0.000 . . . . . . A 70 THR HG23 . 30502 1
stop_
save_