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 50490
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name hECP30_DPC25HD
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '2D 1H-1H COSY' . . . 50490 1
3 '2D 1H-1H TOCSY' . . . 50490 1
4 '2D 1H-1H NOESY' . . . 50490 1
5 '2D 1H-13C HSQC aliphatic' . . . 50490 1
6 '2D 1H-13C HSQC aromatic' . . . 50490 1
8 '2D 1H-1H TOCSY' . . . 50490 1
9 '2D 1H-1H NOESY' . . . 50490 1
10 '2D 1H-13C HSQC aliphatic' . . . 50490 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 $software_1 . . 50490 1
2 $software_2 . . 50490 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ARG HA H 1 4.313 0.004 . 1 . . . . . 1 ARG HA . 50490 1
2 . 1 . 1 1 1 ARG HB2 H 1 1.918 0.005 . 2 . . . . . 1 ARG HB2 . 50490 1
3 . 1 . 1 1 1 ARG HB3 H 1 1.918 0.005 . 2 . . . . . 1 ARG HB3 . 50490 1
4 . 1 . 1 1 1 ARG HG2 H 1 1.675 0.005 . 2 . . . . . 1 ARG HG2 . 50490 1
5 . 1 . 1 1 1 ARG HG3 H 1 1.675 0.005 . 2 . . . . . 1 ARG HG3 . 50490 1
6 . 1 . 1 1 1 ARG HD2 H 1 3.171 0.004 . 2 . . . . . 1 ARG HD2 . 50490 1
7 . 1 . 1 1 1 ARG HD3 H 1 3.171 0.004 . 2 . . . . . 1 ARG HD3 . 50490 1
8 . 1 . 1 1 1 ARG HE H 1 7.401 0.002 . 1 . . . . . 1 ARG HE . 50490 1
9 . 1 . 1 1 1 ARG CA C 13 53.956 0.081 . 1 . . . . . 1 ARG CA . 50490 1
10 . 1 . 1 1 1 ARG CB C 13 29.754 0.044 . 1 . . . . . 1 ARG CB . 50490 1
11 . 1 . 1 1 1 ARG CG C 13 25.954 0.016 . 1 . . . . . 1 ARG CG . 50490 1
12 . 1 . 1 1 1 ARG CD C 13 43.270 0.066 . 1 . . . . . 1 ARG CD . 50490 1
13 . 1 . 1 2 2 PRO HA H 1 4.509 0.004 . 1 . . . . . 2 PRO HA . 50490 1
14 . 1 . 1 2 2 PRO HB2 H 1 1.761 0.005 . 2 . . . . . 2 PRO HB2 . 50490 1
15 . 1 . 1 2 2 PRO HB3 H 1 2.228 0.004 . 2 . . . . . 2 PRO HB3 . 50490 1
16 . 1 . 1 2 2 PRO HG2 H 1 1.897 0.002 . 2 . . . . . 2 PRO HG2 . 50490 1
17 . 1 . 1 2 2 PRO HG3 H 1 1.948 0.004 . 2 . . . . . 2 PRO HG3 . 50490 1
18 . 1 . 1 2 2 PRO HD2 H 1 3.534 0.004 . 2 . . . . . 2 PRO HD2 . 50490 1
19 . 1 . 1 2 2 PRO HD3 H 1 3.717 0.009 . 2 . . . . . 2 PRO HD3 . 50490 1
20 . 1 . 1 2 2 PRO CA C 13 63.349 0.000 . 1 . . . . . 2 PRO CA . 50490 1
21 . 1 . 1 2 2 PRO CB C 13 32.052 0.031 . 1 . . . . . 2 PRO CB . 50490 1
22 . 1 . 1 2 2 PRO CG C 13 27.298 0.015 . 1 . . . . . 2 PRO CG . 50490 1
23 . 1 . 1 2 2 PRO CD C 13 50.513 0.008 . 1 . . . . . 2 PRO CD . 50490 1
24 . 1 . 1 3 3 PHE H H 1 8.279 0.002 . 1 . . . . . 3 PHE H . 50490 1
25 . 1 . 1 3 3 PHE HA H 1 4.907 0.005 . 1 . . . . . 3 PHE HA . 50490 1
26 . 1 . 1 3 3 PHE HB2 H 1 2.970 0.008 . 2 . . . . . 3 PHE HB2 . 50490 1
27 . 1 . 1 3 3 PHE HB3 H 1 3.156 0.003 . 2 . . . . . 3 PHE HB3 . 50490 1
28 . 1 . 1 3 3 PHE HD1 H 1 7.210 0.001 . 1 . . . . . 3 PHE HD1 . 50490 1
29 . 1 . 1 3 3 PHE HD2 H 1 7.210 0.001 . 1 . . . . . 3 PHE HD2 . 50490 1
30 . 1 . 1 3 3 PHE HE1 H 1 7.209 0.002 . 1 . . . . . 3 PHE HE1 . 50490 1
31 . 1 . 1 3 3 PHE HE2 H 1 7.209 0.002 . 1 . . . . . 3 PHE HE2 . 50490 1
32 . 1 . 1 3 3 PHE HZ H 1 7.121 0.007 . 1 . . . . . 3 PHE HZ . 50490 1
33 . 1 . 1 3 3 PHE CA C 13 57.343 0.000 . 1 . . . . . 3 PHE CA . 50490 1
34 . 1 . 1 3 3 PHE CB C 13 39.941 0.050 . 1 . . . . . 3 PHE CB . 50490 1
35 . 1 . 1 3 3 PHE CD1 C 13 131.998 0.020 . 1 . . . . . 3 PHE CD1 . 50490 1
36 . 1 . 1 3 3 PHE CD2 C 13 131.998 0.020 . 1 . . . . . 3 PHE CD2 . 50490 1
37 . 1 . 1 3 3 PHE CE1 C 13 130.967 0.024 . 1 . . . . . 3 PHE CE1 . 50490 1
38 . 1 . 1 3 3 PHE CE2 C 13 130.967 0.024 . 1 . . . . . 3 PHE CE2 . 50490 1
39 . 1 . 1 3 3 PHE CZ C 13 129.026 0.048 . 1 . . . . . 3 PHE CZ . 50490 1
40 . 1 . 1 4 4 THR H H 1 8.384 0.002 . 1 . . . . . 4 THR H . 50490 1
41 . 1 . 1 4 4 THR HA H 1 4.554 0.006 . 1 . . . . . 4 THR HA . 50490 1
42 . 1 . 1 4 4 THR HB H 1 4.602 0.005 . 1 . . . . . 4 THR HB . 50490 1
43 . 1 . 1 4 4 THR HG21 H 1 1.264 0.006 . 1 . . . . . 4 THR QG2 . 50490 1
44 . 1 . 1 4 4 THR HG22 H 1 1.264 0.006 . 1 . . . . . 4 THR QG2 . 50490 1
45 . 1 . 1 4 4 THR HG23 H 1 1.264 0.006 . 1 . . . . . 4 THR QG2 . 50490 1
46 . 1 . 1 4 4 THR CA C 13 60.659 0.000 . 1 . . . . . 4 THR CA . 50490 1
47 . 1 . 1 4 4 THR CB C 13 71.116 0.000 . 1 . . . . . 4 THR CB . 50490 1
48 . 1 . 1 4 4 THR CG2 C 13 22.140 0.029 . 1 . . . . . 4 THR CG2 . 50490 1
49 . 1 . 1 5 5 ARG H H 1 8.906 0.001 . 1 . . . . . 5 ARG H . 50490 1
50 . 1 . 1 5 5 ARG HA H 1 4.099 0.005 . 1 . . . . . 5 ARG HA . 50490 1
51 . 1 . 1 5 5 ARG HB2 H 1 1.896 0.005 . 2 . . . . . 5 ARG HB2 . 50490 1
52 . 1 . 1 5 5 ARG HB3 H 1 1.896 0.005 . 2 . . . . . 5 ARG HB3 . 50490 1
53 . 1 . 1 5 5 ARG HG2 H 1 1.665 0.004 . 2 . . . . . 5 ARG HG2 . 50490 1
54 . 1 . 1 5 5 ARG HG3 H 1 1.770 0.006 . 2 . . . . . 5 ARG HG3 . 50490 1
55 . 1 . 1 5 5 ARG HD2 H 1 3.235 0.002 . 2 . . . . . 5 ARG HD2 . 50490 1
56 . 1 . 1 5 5 ARG HD3 H 1 3.235 0.002 . 2 . . . . . 5 ARG HD3 . 50490 1
57 . 1 . 1 5 5 ARG HE H 1 7.504 0.004 . 1 . . . . . 5 ARG HE . 50490 1
58 . 1 . 1 5 5 ARG CA C 13 59.165 0.000 . 1 . . . . . 5 ARG CA . 50490 1
59 . 1 . 1 5 5 ARG CB C 13 29.948 0.062 . 1 . . . . . 5 ARG CB . 50490 1
60 . 1 . 1 5 5 ARG CG C 13 27.657 0.010 . 1 . . . . . 5 ARG CG . 50490 1
61 . 1 . 1 5 5 ARG CD C 13 43.388 0.079 . 1 . . . . . 5 ARG CD . 50490 1
62 . 1 . 1 6 6 ALA H H 1 8.379 0.003 . 1 . . . . . 6 ALA H . 50490 1
63 . 1 . 1 6 6 ALA HA H 1 4.216 0.006 . 1 . . . . . 6 ALA HA . 50490 1
64 . 1 . 1 6 6 ALA HB1 H 1 1.439 0.005 . 1 . . . . . 6 ALA HB# . 50490 1
65 . 1 . 1 6 6 ALA HB2 H 1 1.439 0.005 . 1 . . . . . 6 ALA HB# . 50490 1
66 . 1 . 1 6 6 ALA HB3 H 1 1.439 0.005 . 1 . . . . . 6 ALA HB# . 50490 1
67 . 1 . 1 6 6 ALA CA C 13 54.675 0.000 . 1 . . . . . 6 ALA CA . 50490 1
68 . 1 . 1 6 6 ALA CB C 13 18.485 0.030 . 1 . . . . . 6 ALA CB . 50490 1
69 . 1 . 1 7 7 GLN H H 1 7.923 0.003 . 1 . . . . . 7 GLN H . 50490 1
70 . 1 . 1 7 7 GLN HA H 1 4.089 0.004 . 1 . . . . . 7 GLN HA . 50490 1
71 . 1 . 1 7 7 GLN HB2 H 1 1.881 0.004 . 2 . . . . . 7 GLN HB2 . 50490 1
72 . 1 . 1 7 7 GLN HB3 H 1 2.361 0.004 . 2 . . . . . 7 GLN HB3 . 50490 1
73 . 1 . 1 7 7 GLN HG2 H 1 2.367 0.004 . 2 . . . . . 7 GLN HG2 . 50490 1
74 . 1 . 1 7 7 GLN HG3 H 1 2.458 0.004 . 2 . . . . . 7 GLN HG3 . 50490 1
75 . 1 . 1 7 7 GLN HE21 H 1 6.876 0.003 . 2 . . . . . 7 GLN HE21 . 50490 1
76 . 1 . 1 7 7 GLN HE22 H 1 7.579 0.004 . 2 . . . . . 7 GLN HE22 . 50490 1
77 . 1 . 1 7 7 GLN CA C 13 58.512 0.000 . 1 . . . . . 7 GLN CA . 50490 1
78 . 1 . 1 7 7 GLN CG C 13 34.679 0.063 . 1 . . . . . 7 GLN CG . 50490 1
79 . 1 . 1 8 8 TRP H H 1 8.178 0.007 . 1 . . . . . 8 TRP H . 50490 1
80 . 1 . 1 8 8 TRP HA H 1 4.436 0.007 . 1 . . . . . 8 TRP HA . 50490 1
81 . 1 . 1 8 8 TRP HB2 H 1 3.249 0.004 . 2 . . . . . 8 TRP HB2 . 50490 1
82 . 1 . 1 8 8 TRP HB3 H 1 3.324 0.005 . 2 . . . . . 8 TRP HB3 . 50490 1
83 . 1 . 1 8 8 TRP HD1 H 1 7.018 0.003 . 1 . . . . . 8 TRP HD1 . 50490 1
84 . 1 . 1 8 8 TRP HE1 H 1 10.473 0.001 . 1 . . . . . 8 TRP HE1 . 50490 1
85 . 1 . 1 8 8 TRP HE3 H 1 7.309 0.005 . 1 . . . . . 8 TRP HE3 . 50490 1
86 . 1 . 1 8 8 TRP HZ2 H 1 7.461 0.005 . 1 . . . . . 8 TRP HZ2 . 50490 1
87 . 1 . 1 8 8 TRP HZ3 H 1 6.867 0.004 . 1 . . . . . 8 TRP HZ3 . 50490 1
88 . 1 . 1 8 8 TRP HH2 H 1 7.045 0.003 . 1 . . . . . 8 TRP HH2 . 50490 1
89 . 1 . 1 8 8 TRP CA C 13 59.543 0.000 . 1 . . . . . 8 TRP CA . 50490 1
90 . 1 . 1 8 8 TRP CD1 C 13 127.141 0.088 . 1 . . . . . 8 TRP CD1 . 50490 1
91 . 1 . 1 8 8 TRP CE3 C 13 120.882 0.027 . 1 . . . . . 8 TRP CE3 . 50490 1
92 . 1 . 1 8 8 TRP CZ2 C 13 114.585 0.151 . 1 . . . . . 8 TRP CZ2 . 50490 1
93 . 1 . 1 8 8 TRP CZ3 C 13 121.180 0.024 . 1 . . . . . 8 TRP CZ3 . 50490 1
94 . 1 . 1 8 8 TRP CH2 C 13 123.824 0.028 . 1 . . . . . 8 TRP CH2 . 50490 1
95 . 1 . 1 9 9 PHE H H 1 8.206 0.003 . 1 . . . . . 9 PHE H . 50490 1
96 . 1 . 1 9 9 PHE HA H 1 4.221 0.005 . 1 . . . . . 9 PHE HA . 50490 1
97 . 1 . 1 9 9 PHE HB2 H 1 3.148 0.004 . 2 . . . . . 9 PHE HB2 . 50490 1
98 . 1 . 1 9 9 PHE HB3 H 1 3.219 0.005 . 2 . . . . . 9 PHE HB3 . 50490 1
99 . 1 . 1 9 9 PHE HD1 H 1 7.298 0.004 . 1 . . . . . 9 PHE HD1 . 50490 1
100 . 1 . 1 9 9 PHE HD2 H 1 7.298 0.004 . 1 . . . . . 9 PHE HD2 . 50490 1
101 . 1 . 1 9 9 PHE HE1 H 1 7.304 0.004 . 1 . . . . . 9 PHE HE1 . 50490 1
102 . 1 . 1 9 9 PHE HE2 H 1 7.304 0.004 . 1 . . . . . 9 PHE HE2 . 50490 1
103 . 1 . 1 9 9 PHE HZ H 1 7.208 0.004 . 1 . . . . . 9 PHE HZ . 50490 1
104 . 1 . 1 9 9 PHE CA C 13 60.157 0.000 . 1 . . . . . 9 PHE CA . 50490 1
105 . 1 . 1 9 9 PHE CB C 13 38.742 0.003 . 1 . . . . . 9 PHE CB . 50490 1
106 . 1 . 1 9 9 PHE CD1 C 13 131.894 0.023 . 1 . . . . . 9 PHE CD1 . 50490 1
107 . 1 . 1 9 9 PHE CD2 C 13 131.894 0.023 . 1 . . . . . 9 PHE CD2 . 50490 1
108 . 1 . 1 9 9 PHE CE1 C 13 131.339 0.026 . 1 . . . . . 9 PHE CE1 . 50490 1
109 . 1 . 1 9 9 PHE CE2 C 13 131.339 0.026 . 1 . . . . . 9 PHE CE2 . 50490 1
110 . 1 . 1 9 9 PHE CZ C 13 129.704 0.040 . 1 . . . . . 9 PHE CZ . 50490 1
111 . 1 . 1 10 10 ALA H H 1 7.846 0.001 . 1 . . . . . 10 ALA H . 50490 1
112 . 1 . 1 10 10 ALA HA H 1 4.175 0.005 . 1 . . . . . 10 ALA HA . 50490 1
113 . 1 . 1 10 10 ALA HB1 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50490 1
114 . 1 . 1 10 10 ALA HB2 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50490 1
115 . 1 . 1 10 10 ALA HB3 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50490 1
116 . 1 . 1 10 10 ALA CA C 13 54.498 0.000 . 1 . . . . . 10 ALA CA . 50490 1
117 . 1 . 1 10 10 ALA CB C 13 18.582 0.015 . 1 . . . . . 10 ALA CB . 50490 1
118 . 1 . 1 11 11 ILE H H 1 7.814 0.002 . 1 . . . . . 11 ILE H . 50490 1
119 . 1 . 1 11 11 ILE HA H 1 3.834 0.014 . 1 . . . . . 11 ILE HA . 50490 1
120 . 1 . 1 11 11 ILE HB H 1 1.870 0.007 . 1 . . . . . 11 ILE HB . 50490 1
121 . 1 . 1 11 11 ILE HG12 H 1 1.136 0.006 . 2 . . . . . 11 ILE HG12 . 50490 1
122 . 1 . 1 11 11 ILE HG13 H 1 1.541 0.004 . 2 . . . . . 11 ILE HG13 . 50490 1
123 . 1 . 1 11 11 ILE HG21 H 1 0.816 0.005 . 1 . . . . . 11 ILE QG2 . 50490 1
124 . 1 . 1 11 11 ILE HG22 H 1 0.816 0.005 . 1 . . . . . 11 ILE QG2 . 50490 1
125 . 1 . 1 11 11 ILE HG23 H 1 0.816 0.005 . 1 . . . . . 11 ILE QG2 . 50490 1
126 . 1 . 1 11 11 ILE HD11 H 1 0.674 0.008 . 1 . . . . . 11 ILE QD1 . 50490 1
127 . 1 . 1 11 11 ILE HD12 H 1 0.674 0.008 . 1 . . . . . 11 ILE QD1 . 50490 1
128 . 1 . 1 11 11 ILE HD13 H 1 0.674 0.008 . 1 . . . . . 11 ILE QD1 . 50490 1
129 . 1 . 1 11 11 ILE CA C 13 63.282 0.099 . 1 . . . . . 11 ILE CA . 50490 1
130 . 1 . 1 11 11 ILE CB C 13 38.204 0.002 . 1 . . . . . 11 ILE CB . 50490 1
131 . 1 . 1 11 11 ILE CG1 C 13 28.722 0.006 . 1 . . . . . 11 ILE CG1 . 50490 1
132 . 1 . 1 11 11 ILE CG2 C 13 17.797 0.012 . 1 . . . . . 11 ILE CG2 . 50490 1
133 . 1 . 1 11 11 ILE CD1 C 13 13.736 0.021 . 1 . . . . . 11 ILE CD1 . 50490 1
134 . 1 . 1 12 12 GLN H H 1 7.660 0.004 . 1 . . . . . 12 GLN H . 50490 1
135 . 1 . 1 12 12 GLN HA H 1 3.842 0.003 . 1 . . . . . 12 GLN HA . 50490 1
136 . 1 . 1 12 12 GLN HB2 H 1 1.720 0.005 . 2 . . . . . 12 GLN HB2 . 50490 1
137 . 1 . 1 12 12 GLN HB3 H 1 1.720 0.005 . 2 . . . . . 12 GLN HB3 . 50490 1
138 . 1 . 1 12 12 GLN HG2 H 1 1.901 0.002 . 2 . . . . . 12 GLN HG2 . 50490 1
139 . 1 . 1 12 12 GLN HG3 H 1 1.901 0.002 . 2 . . . . . 12 GLN HG3 . 50490 1
140 . 1 . 1 12 12 GLN HE21 H 1 6.530 0.001 . 2 . . . . . 12 GLN HE21 . 50490 1
141 . 1 . 1 12 12 GLN HE22 H 1 6.735 0.002 . 2 . . . . . 12 GLN HE22 . 50490 1
142 . 1 . 1 12 12 GLN CA C 13 57.135 0.031 . 1 . . . . . 12 GLN CA . 50490 1
143 . 1 . 1 12 12 GLN CB C 13 28.966 0.071 . 1 . . . . . 12 GLN CB . 50490 1
144 . 1 . 1 12 12 GLN CG C 13 33.835 0.045 . 1 . . . . . 12 GLN CG . 50490 1
145 . 1 . 1 13 13 HIS H H 1 7.781 0.002 . 1 . . . . . 13 HIS H . 50490 1
146 . 1 . 1 13 13 HIS HA H 1 4.553 0.005 . 1 . . . . . 13 HIS HA . 50490 1
147 . 1 . 1 13 13 HIS HB2 H 1 2.987 0.004 . 2 . . . . . 13 HIS HB2 . 50490 1
148 . 1 . 1 13 13 HIS HB3 H 1 3.384 0.010 . 2 . . . . . 13 HIS HB3 . 50490 1
149 . 1 . 1 13 13 HIS HD2 H 1 7.159 0.014 . 1 . . . . . 13 HIS HD2 . 50490 1
150 . 1 . 1 13 13 HIS HE1 H 1 8.336 0.185 . 1 . . . . . 13 HIS HE1 . 50490 1
151 . 1 . 1 13 13 HIS CA C 13 55.945 0.000 . 1 . . . . . 13 HIS CA . 50490 1
152 . 1 . 1 13 13 HIS CB C 13 28.600 0.000 . 1 . . . . . 13 HIS CB . 50490 1
153 . 1 . 1 13 13 HIS CD2 C 13 119.851 0.072 . 1 . . . . . 13 HIS CD2 . 50490 1
154 . 1 . 1 13 13 HIS CE1 C 13 136.175 0.045 . 1 . . . . . 13 HIS CE1 . 50490 1
155 . 1 . 1 14 14 ILE H H 1 7.625 0.003 . 1 . . . . . 14 ILE H . 50490 1
156 . 1 . 1 14 14 ILE HA H 1 4.179 0.006 . 1 . . . . . 14 ILE HA . 50490 1
157 . 1 . 1 14 14 ILE HB H 1 1.885 0.004 . 1 . . . . . 14 ILE HB . 50490 1
158 . 1 . 1 14 14 ILE HG12 H 1 1.207 0.008 . 2 . . . . . 14 ILE HG12 . 50490 1
159 . 1 . 1 14 14 ILE HG13 H 1 1.556 0.009 . 2 . . . . . 14 ILE HG13 . 50490 1
160 . 1 . 1 14 14 ILE HG21 H 1 0.882 0.004 . 1 . . . . . 14 ILE QG2 . 50490 1
161 . 1 . 1 14 14 ILE HG22 H 1 0.882 0.004 . 1 . . . . . 14 ILE QG2 . 50490 1
162 . 1 . 1 14 14 ILE HG23 H 1 0.882 0.004 . 1 . . . . . 14 ILE QG2 . 50490 1
163 . 1 . 1 14 14 ILE HD11 H 1 0.836 0.003 . 1 . . . . . 14 ILE QD1 . 50490 1
164 . 1 . 1 14 14 ILE HD12 H 1 0.836 0.003 . 1 . . . . . 14 ILE QD1 . 50490 1
165 . 1 . 1 14 14 ILE HD13 H 1 0.836 0.003 . 1 . . . . . 14 ILE QD1 . 50490 1
166 . 1 . 1 14 14 ILE CA C 13 61.139 0.093 . 1 . . . . . 14 ILE CA . 50490 1
167 . 1 . 1 14 14 ILE CB C 13 39.244 0.055 . 1 . . . . . 14 ILE CB . 50490 1
168 . 1 . 1 14 14 ILE CG1 C 13 27.475 0.016 . 1 . . . . . 14 ILE CG1 . 50490 1
169 . 1 . 1 14 14 ILE CG2 C 13 17.774 0.000 . 1 . . . . . 14 ILE CG2 . 50490 1
170 . 1 . 1 14 14 ILE CD1 C 13 13.910 0.013 . 1 . . . . . 14 ILE CD1 . 50490 1
171 . 1 . 1 15 15 SER H H 1 8.419 0.002 . 1 . . . . . 15 SER H . 50490 1
172 . 1 . 1 15 15 SER HA H 1 4.960 0.005 . 1 . . . . . 15 SER HA . 50490 1
173 . 1 . 1 15 15 SER HB2 H 1 3.998 0.004 . 2 . . . . . 15 SER HB2 . 50490 1
174 . 1 . 1 15 15 SER HB3 H 1 3.998 0.004 . 2 . . . . . 15 SER HB3 . 50490 1
175 . 1 . 1 15 15 SER CA C 13 54.796 0.000 . 1 . . . . . 15 SER CA . 50490 1
176 . 1 . 1 15 15 SER CB C 13 63.376 0.073 . 1 . . . . . 15 SER CB . 50490 1
177 . 1 . 1 16 16 PRO HA H 1 4.149 0.004 . 1 . . . . . 16 PRO HA . 50490 1
178 . 1 . 1 16 16 PRO HB2 H 1 2.003 0.006 . 2 . . . . . 16 PRO HB2 . 50490 1
179 . 1 . 1 16 16 PRO HB3 H 1 2.174 0.005 . 2 . . . . . 16 PRO HB3 . 50490 1
180 . 1 . 1 16 16 PRO HG2 H 1 1.853 0.003 . 2 . . . . . 16 PRO HG2 . 50490 1
181 . 1 . 1 16 16 PRO HG3 H 1 1.853 0.003 . 2 . . . . . 16 PRO HG3 . 50490 1
182 . 1 . 1 16 16 PRO HD2 H 1 4.001 0.005 . 2 . . . . . 16 PRO HD2 . 50490 1
183 . 1 . 1 16 16 PRO HD3 H 1 4.155 0.002 . 2 . . . . . 16 PRO HD3 . 50490 1
184 . 1 . 1 16 16 PRO CA C 13 65.488 0.000 . 1 . . . . . 16 PRO CA . 50490 1
185 . 1 . 1 16 16 PRO CB C 13 32.467 0.023 . 1 . . . . . 16 PRO CB . 50490 1
186 . 1 . 1 16 16 PRO CG C 13 27.406 0.000 . 1 . . . . . 16 PRO CG . 50490 1
187 . 1 . 1 17 17 ARG H H 1 8.640 0.002 . 1 . . . . . 17 ARG H . 50490 1
188 . 1 . 1 17 17 ARG HA H 1 3.886 0.004 . 1 . . . . . 17 ARG HA . 50490 1
189 . 1 . 1 17 17 ARG HB2 H 1 1.856 0.010 . 2 . . . . . 17 ARG HB2 . 50490 1
190 . 1 . 1 17 17 ARG HB3 H 1 1.903 0.007 . 2 . . . . . 17 ARG HB3 . 50490 1
191 . 1 . 1 17 17 ARG HG2 H 1 1.617 0.001 . 2 . . . . . 17 ARG HG2 . 50490 1
192 . 1 . 1 17 17 ARG HG3 H 1 1.617 0.001 . 2 . . . . . 17 ARG HG3 . 50490 1
193 . 1 . 1 17 17 ARG HD2 H 1 3.218 0.003 . 2 . . . . . 17 ARG HD2 . 50490 1
194 . 1 . 1 17 17 ARG HD3 H 1 3.254 0.005 . 2 . . . . . 17 ARG HD3 . 50490 1
195 . 1 . 1 17 17 ARG HE H 1 7.633 0.002 . 1 . . . . . 17 ARG HE . 50490 1
196 . 1 . 1 17 17 ARG CA C 13 60.186 0.088 . 1 . . . . . 17 ARG CA . 50490 1
197 . 1 . 1 17 17 ARG CB C 13 30.240 0.020 . 1 . . . . . 17 ARG CB . 50490 1
198 . 1 . 1 17 17 ARG CG C 13 28.345 0.000 . 1 . . . . . 17 ARG CG . 50490 1
199 . 1 . 1 17 17 ARG CD C 13 43.576 0.056 . 1 . . . . . 17 ARG CD . 50490 1
200 . 1 . 1 18 18 THR H H 1 7.635 0.004 . 1 . . . . . 18 THR H . 50490 1
201 . 1 . 1 18 18 THR HA H 1 3.975 0.004 . 1 . . . . . 18 THR HA . 50490 1
202 . 1 . 1 18 18 THR HB H 1 4.341 0.004 . 1 . . . . . 18 THR HB . 50490 1
203 . 1 . 1 18 18 THR HG21 H 1 1.279 0.016 . 1 . . . . . 18 THR QG2 . 50490 1
204 . 1 . 1 18 18 THR HG22 H 1 1.279 0.016 . 1 . . . . . 18 THR QG2 . 50490 1
205 . 1 . 1 18 18 THR HG23 H 1 1.279 0.016 . 1 . . . . . 18 THR QG2 . 50490 1
206 . 1 . 1 18 18 THR CA C 13 66.110 0.059 . 1 . . . . . 18 THR CA . 50490 1
207 . 1 . 1 18 18 THR CB C 13 68.611 0.036 . 1 . . . . . 18 THR CB . 50490 1
208 . 1 . 1 18 18 THR CG2 C 13 21.750 0.055 . 1 . . . . . 18 THR CG2 . 50490 1
209 . 1 . 1 19 19 ILE H H 1 7.761 0.002 . 1 . . . . . 19 ILE H . 50490 1
210 . 1 . 1 19 19 ILE HA H 1 3.697 0.002 . 1 . . . . . 19 ILE HA . 50490 1
211 . 1 . 1 19 19 ILE HB H 1 1.943 0.003 . 1 . . . . . 19 ILE HB . 50490 1
212 . 1 . 1 19 19 ILE HG12 H 1 1.233 0.004 . 2 . . . . . 19 ILE HG12 . 50490 1
213 . 1 . 1 19 19 ILE HG13 H 1 1.682 0.002 . 2 . . . . . 19 ILE HG13 . 50490 1
214 . 1 . 1 19 19 ILE HG21 H 1 0.930 0.002 . 1 . . . . . 19 ILE QG2 . 50490 1
215 . 1 . 1 19 19 ILE HG22 H 1 0.930 0.002 . 1 . . . . . 19 ILE QG2 . 50490 1
216 . 1 . 1 19 19 ILE HG23 H 1 0.930 0.002 . 1 . . . . . 19 ILE QG2 . 50490 1
217 . 1 . 1 19 19 ILE HD11 H 1 0.854 0.002 . 1 . . . . . 19 ILE QD1 . 50490 1
218 . 1 . 1 19 19 ILE HD12 H 1 0.854 0.002 . 1 . . . . . 19 ILE QD1 . 50490 1
219 . 1 . 1 19 19 ILE HD13 H 1 0.854 0.002 . 1 . . . . . 19 ILE QD1 . 50490 1
220 . 1 . 1 19 19 ILE CA C 13 64.691 0.056 . 1 . . . . . 19 ILE CA . 50490 1
221 . 1 . 1 19 19 ILE CB C 13 37.676 0.019 . 1 . . . . . 19 ILE CB . 50490 1
222 . 1 . 1 19 19 ILE CG1 C 13 28.687 0.026 . 1 . . . . . 19 ILE CG1 . 50490 1
223 . 1 . 1 19 19 ILE CG2 C 13 17.771 0.005 . 1 . . . . . 19 ILE CG2 . 50490 1
224 . 1 . 1 19 19 ILE CD1 C 13 13.247 0.003 . 1 . . . . . 19 ILE CD1 . 50490 1
225 . 1 . 1 20 20 ALA H H 1 8.287 0.001 . 1 . . . . . 20 ALA H . 50490 1
226 . 1 . 1 20 20 ALA HA H 1 3.983 0.003 . 1 . . . . . 20 ALA HA . 50490 1
227 . 1 . 1 20 20 ALA HB1 H 1 1.456 0.003 . 1 . . . . . 20 ALA HB# . 50490 1
228 . 1 . 1 20 20 ALA HB2 H 1 1.456 0.003 . 1 . . . . . 20 ALA HB# . 50490 1
229 . 1 . 1 20 20 ALA HB3 H 1 1.456 0.003 . 1 . . . . . 20 ALA HB# . 50490 1
230 . 1 . 1 20 20 ALA CA C 13 55.439 0.025 . 1 . . . . . 20 ALA CA . 50490 1
231 . 1 . 1 20 20 ALA CB C 13 18.485 0.030 . 1 . . . . . 20 ALA CB . 50490 1
232 . 1 . 1 21 21 MET H H 1 8.150 0.001 . 1 . . . . . 21 MET H . 50490 1
233 . 1 . 1 21 21 MET HA H 1 4.293 0.006 . 1 . . . . . 21 MET HA . 50490 1
234 . 1 . 1 21 21 MET HB2 H 1 2.166 0.005 . 2 . . . . . 21 MET HB2 . 50490 1
235 . 1 . 1 21 21 MET HB3 H 1 2.204 0.004 . 2 . . . . . 21 MET HB3 . 50490 1
236 . 1 . 1 21 21 MET HG2 H 1 2.674 0.004 . 2 . . . . . 21 MET HG2 . 50490 1
237 . 1 . 1 21 21 MET HG3 H 1 2.787 0.003 . 2 . . . . . 21 MET HG3 . 50490 1
238 . 1 . 1 21 21 MET HE1 H 1 2.092 0.002 . 1 . . . . . 21 MET HE# . 50490 1
239 . 1 . 1 21 21 MET HE2 H 1 2.092 0.002 . 1 . . . . . 21 MET HE# . 50490 1
240 . 1 . 1 21 21 MET HE3 H 1 2.092 0.002 . 1 . . . . . 21 MET HE# . 50490 1
241 . 1 . 1 21 21 MET CA C 13 57.653 0.000 . 1 . . . . . 21 MET CA . 50490 1
242 . 1 . 1 21 21 MET CB C 13 31.579 0.061 . 1 . . . . . 21 MET CB . 50490 1
243 . 1 . 1 21 21 MET CG C 13 32.198 0.019 . 1 . . . . . 21 MET CG . 50490 1
244 . 1 . 1 21 21 MET CE C 13 16.666 0.023 . 1 . . . . . 21 MET CE . 50490 1
245 . 1 . 1 22 22 ARG H H 1 7.999 0.002 . 1 . . . . . 22 ARG H . 50490 1
246 . 1 . 1 22 22 ARG HA H 1 4.135 0.005 . 1 . . . . . 22 ARG HA . 50490 1
247 . 1 . 1 22 22 ARG HB2 H 1 1.996 0.005 . 2 . . . . . 22 ARG HB2 . 50490 1
248 . 1 . 1 22 22 ARG HB3 H 1 1.996 0.005 . 2 . . . . . 22 ARG HB3 . 50490 1
249 . 1 . 1 22 22 ARG HG2 H 1 1.713 0.003 . 2 . . . . . 22 ARG HG2 . 50490 1
250 . 1 . 1 22 22 ARG HG3 H 1 1.849 0.002 . 2 . . . . . 22 ARG HG3 . 50490 1
251 . 1 . 1 22 22 ARG HD2 H 1 3.191 0.006 . 2 . . . . . 22 ARG HD2 . 50490 1
252 . 1 . 1 22 22 ARG HD3 H 1 3.191 0.006 . 2 . . . . . 22 ARG HD3 . 50490 1
253 . 1 . 1 22 22 ARG HE H 1 7.510 0.001 . 1 . . . . . 22 ARG HE . 50490 1
254 . 1 . 1 22 22 ARG CA C 13 59.056 0.000 . 1 . . . . . 22 ARG CA . 50490 1
255 . 1 . 1 22 22 ARG CB C 13 30.103 0.033 . 1 . . . . . 22 ARG CB . 50490 1
256 . 1 . 1 22 22 ARG CG C 13 27.433 0.029 . 1 . . . . . 22 ARG CG . 50490 1
257 . 1 . 1 22 22 ARG CD C 13 43.575 0.046 . 1 . . . . . 22 ARG CD . 50490 1
258 . 1 . 1 23 23 ALA H H 1 8.123 0.005 . 1 . . . . . 23 ALA H . 50490 1
259 . 1 . 1 23 23 ALA HA H 1 4.158 0.003 . 1 . . . . . 23 ALA HA . 50490 1
260 . 1 . 1 23 23 ALA HB1 H 1 1.552 0.002 . 1 . . . . . 23 ALA HB# . 50490 1
261 . 1 . 1 23 23 ALA HB2 H 1 1.552 0.002 . 1 . . . . . 23 ALA HB# . 50490 1
262 . 1 . 1 23 23 ALA HB3 H 1 1.552 0.002 . 1 . . . . . 23 ALA HB# . 50490 1
263 . 1 . 1 23 23 ALA CA C 13 55.309 0.021 . 1 . . . . . 23 ALA CA . 50490 1
264 . 1 . 1 23 23 ALA CB C 13 18.526 0.026 . 1 . . . . . 23 ALA CB . 50490 1
265 . 1 . 1 24 24 ILE H H 1 8.303 0.002 . 1 . . . . . 24 ILE H . 50490 1
266 . 1 . 1 24 24 ILE HA H 1 3.809 0.003 . 1 . . . . . 24 ILE HA . 50490 1
267 . 1 . 1 24 24 ILE HB H 1 1.985 0.004 . 1 . . . . . 24 ILE HB . 50490 1
268 . 1 . 1 24 24 ILE HG12 H 1 1.140 0.003 . 2 . . . . . 24 ILE HG12 . 50490 1
269 . 1 . 1 24 24 ILE HG13 H 1 1.812 0.005 . 2 . . . . . 24 ILE HG13 . 50490 1
270 . 1 . 1 24 24 ILE HG21 H 1 0.954 0.001 . 1 . . . . . 24 ILE QG2 . 50490 1
271 . 1 . 1 24 24 ILE HG22 H 1 0.954 0.001 . 1 . . . . . 24 ILE QG2 . 50490 1
272 . 1 . 1 24 24 ILE HG23 H 1 0.954 0.001 . 1 . . . . . 24 ILE QG2 . 50490 1
273 . 1 . 1 24 24 ILE HD11 H 1 0.876 0.003 . 1 . . . . . 24 ILE QD1 . 50490 1
274 . 1 . 1 24 24 ILE HD12 H 1 0.876 0.003 . 1 . . . . . 24 ILE QD1 . 50490 1
275 . 1 . 1 24 24 ILE HD13 H 1 0.876 0.003 . 1 . . . . . 24 ILE QD1 . 50490 1
276 . 1 . 1 24 24 ILE CA C 13 64.832 0.090 . 1 . . . . . 24 ILE CA . 50490 1
277 . 1 . 1 24 24 ILE CB C 13 38.389 0.028 . 1 . . . . . 24 ILE CB . 50490 1
278 . 1 . 1 24 24 ILE CG1 C 13 29.678 0.062 . 1 . . . . . 24 ILE CG1 . 50490 1
279 . 1 . 1 24 24 ILE CG2 C 13 17.554 0.006 . 1 . . . . . 24 ILE CG2 . 50490 1
280 . 1 . 1 24 24 ILE CD1 C 13 13.918 0.000 . 1 . . . . . 24 ILE CD1 . 50490 1
281 . 1 . 1 25 25 ASN H H 1 8.199 0.002 . 1 . . . . . 25 ASN H . 50490 1
282 . 1 . 1 25 25 ASN HA H 1 4.551 0.006 . 1 . . . . . 25 ASN HA . 50490 1
283 . 1 . 1 25 25 ASN HB2 H 1 2.723 0.003 . 2 . . . . . 25 ASN HB2 . 50490 1
284 . 1 . 1 25 25 ASN HB3 H 1 2.864 0.006 . 2 . . . . . 25 ASN HB3 . 50490 1
285 . 1 . 1 25 25 ASN HD21 H 1 6.924 0.003 . 2 . . . . . 25 ASN HD21 . 50490 1
286 . 1 . 1 25 25 ASN HD22 H 1 7.570 0.002 . 2 . . . . . 25 ASN HD22 . 50490 1
287 . 1 . 1 25 25 ASN CA C 13 55.487 0.000 . 1 . . . . . 25 ASN CA . 50490 1
288 . 1 . 1 25 25 ASN CB C 13 38.552 0.046 . 1 . . . . . 25 ASN CB . 50490 1
289 . 1 . 1 26 26 ASN H H 1 8.009 0.003 . 1 . . . . . 26 ASN H . 50490 1
290 . 1 . 1 26 26 ASN HA H 1 4.627 0.005 . 1 . . . . . 26 ASN HA . 50490 1
291 . 1 . 1 26 26 ASN HB2 H 1 2.665 0.004 . 2 . . . . . 26 ASN HB2 . 50490 1
292 . 1 . 1 26 26 ASN HB3 H 1 2.813 0.005 . 2 . . . . . 26 ASN HB3 . 50490 1
293 . 1 . 1 26 26 ASN HD21 H 1 7.061 0.009 . 2 . . . . . 26 ASN HD21 . 50490 1
294 . 1 . 1 26 26 ASN HD22 H 1 7.466 0.004 . 2 . . . . . 26 ASN HD22 . 50490 1
295 . 1 . 1 26 26 ASN CA C 13 55.093 0.000 . 1 . . . . . 26 ASN CA . 50490 1
296 . 1 . 1 26 26 ASN CB C 13 39.679 0.044 . 1 . . . . . 26 ASN CB . 50490 1
297 . 1 . 1 27 27 TYR H H 1 7.983 0.001 . 1 . . . . . 27 TYR H . 50490 1
298 . 1 . 1 27 27 TYR HA H 1 4.334 0.003 . 1 . . . . . 27 TYR HA . 50490 1
299 . 1 . 1 27 27 TYR HB2 H 1 2.933 0.001 . 2 . . . . . 27 TYR HB2 . 50490 1
300 . 1 . 1 27 27 TYR HB3 H 1 3.041 0.003 . 2 . . . . . 27 TYR HB3 . 50490 1
301 . 1 . 1 27 27 TYR HD1 H 1 6.992 0.001 . 1 . . . . . 27 TYR HD1 . 50490 1
302 . 1 . 1 27 27 TYR HD2 H 1 6.992 0.001 . 1 . . . . . 27 TYR HD2 . 50490 1
303 . 1 . 1 27 27 TYR HE1 H 1 6.755 0.002 . 1 . . . . . 27 TYR HE1 . 50490 1
304 . 1 . 1 27 27 TYR HE2 H 1 6.755 0.002 . 1 . . . . . 27 TYR HE2 . 50490 1
305 . 1 . 1 27 27 TYR CA C 13 59.753 0.000 . 1 . . . . . 27 TYR CA . 50490 1
306 . 1 . 1 27 27 TYR CD1 C 13 132.988 0.042 . 1 . . . . . 27 TYR CD1 . 50490 1
307 . 1 . 1 27 27 TYR CD2 C 13 132.988 0.042 . 1 . . . . . 27 TYR CD2 . 50490 1
308 . 1 . 1 27 27 TYR CE1 C 13 118.003 0.065 . 1 . . . . . 27 TYR CE1 . 50490 1
309 . 1 . 1 27 27 TYR CE2 C 13 118.003 0.065 . 1 . . . . . 27 TYR CE2 . 50490 1
310 . 1 . 1 28 28 ARG H H 1 7.941 0.006 . 1 . . . . . 28 ARG H . 50490 1
311 . 1 . 1 28 28 ARG HA H 1 4.124 0.013 . 1 . . . . . 28 ARG HA . 50490 1
312 . 1 . 1 28 28 ARG HB2 H 1 1.692 0.009 . 2 . . . . . 28 ARG HB2 . 50490 1
313 . 1 . 1 28 28 ARG HB3 H 1 1.719 0.005 . 2 . . . . . 28 ARG HB3 . 50490 1
314 . 1 . 1 28 28 ARG HG2 H 1 1.487 0.004 . 2 . . . . . 28 ARG HG2 . 50490 1
315 . 1 . 1 28 28 ARG HG3 H 1 1.550 0.007 . 2 . . . . . 28 ARG HG3 . 50490 1
316 . 1 . 1 28 28 ARG HD2 H 1 3.090 0.002 . 2 . . . . . 28 ARG HD2 . 50490 1
317 . 1 . 1 28 28 ARG HD3 H 1 3.090 0.002 . 2 . . . . . 28 ARG HD3 . 50490 1
318 . 1 . 1 28 28 ARG HE H 1 7.320 0.001 . 1 . . . . . 28 ARG HE . 50490 1
319 . 1 . 1 28 28 ARG CA C 13 56.917 0.096 . 1 . . . . . 28 ARG CA . 50490 1
320 . 1 . 1 28 28 ARG CB C 13 30.298 0.018 . 1 . . . . . 28 ARG CB . 50490 1
321 . 1 . 1 28 28 ARG CG C 13 27.280 0.054 . 1 . . . . . 28 ARG CG . 50490 1
322 . 1 . 1 28 28 ARG CD C 13 43.509 0.056 . 1 . . . . . 28 ARG CD . 50490 1
323 . 1 . 1 29 29 TRP H H 1 7.953 0.002 . 1 . . . . . 29 TRP H . 50490 1
324 . 1 . 1 29 29 TRP HA H 1 4.612 0.004 . 1 . . . . . 29 TRP HA . 50490 1
325 . 1 . 1 29 29 TRP HB2 H 1 3.275 0.004 . 2 . . . . . 29 TRP HB2 . 50490 1
326 . 1 . 1 29 29 TRP HB3 H 1 3.363 0.005 . 2 . . . . . 29 TRP HB3 . 50490 1
327 . 1 . 1 29 29 TRP HD1 H 1 7.326 0.002 . 1 . . . . . 29 TRP HD1 . 50490 1
328 . 1 . 1 29 29 TRP HE1 H 1 10.397 0.001 . 1 . . . . . 29 TRP HE1 . 50490 1
329 . 1 . 1 29 29 TRP HE3 H 1 7.652 0.002 . 1 . . . . . 29 TRP HE3 . 50490 1
330 . 1 . 1 29 29 TRP HZ2 H 1 7.446 0.004 . 1 . . . . . 29 TRP HZ2 . 50490 1
331 . 1 . 1 29 29 TRP HZ3 H 1 7.076 0.006 . 1 . . . . . 29 TRP HZ3 . 50490 1
332 . 1 . 1 29 29 TRP HH2 H 1 7.123 0.006 . 1 . . . . . 29 TRP HH2 . 50490 1
333 . 1 . 1 29 29 TRP CA C 13 57.666 0.000 . 1 . . . . . 29 TRP CA . 50490 1
334 . 1 . 1 29 29 TRP CB C 13 29.633 0.016 . 1 . . . . . 29 TRP CB . 50490 1
335 . 1 . 1 29 29 TRP CD1 C 13 127.323 0.110 . 1 . . . . . 29 TRP CD1 . 50490 1
336 . 1 . 1 29 29 TRP CE3 C 13 121.047 0.027 . 1 . . . . . 29 TRP CE3 . 50490 1
337 . 1 . 1 29 29 TRP CZ2 C 13 114.498 0.065 . 1 . . . . . 29 TRP CZ2 . 50490 1
338 . 1 . 1 29 29 TRP CZ3 C 13 121.772 0.058 . 1 . . . . . 29 TRP CZ3 . 50490 1
339 . 1 . 1 29 29 TRP CH2 C 13 124.281 0.028 . 1 . . . . . 29 TRP CH2 . 50490 1
340 . 1 . 1 30 30 ARG H H 1 7.953 0.002 . 1 . . . . . 30 ARG H . 50490 1
341 . 1 . 1 30 30 ARG HA H 1 4.148 0.003 . 1 . . . . . 30 ARG HA . 50490 1
342 . 1 . 1 30 30 ARG HB2 H 1 1.669 0.004 . 2 . . . . . 30 ARG HB2 . 50490 1
343 . 1 . 1 30 30 ARG HB3 H 1 1.811 0.001 . 2 . . . . . 30 ARG HB3 . 50490 1
344 . 1 . 1 30 30 ARG HG2 H 1 1.487 0.005 . 2 . . . . . 30 ARG HG2 . 50490 1
345 . 1 . 1 30 30 ARG HG3 H 1 1.497 0.000 . 2 . . . . . 30 ARG HG3 . 50490 1
346 . 1 . 1 30 30 ARG HD2 H 1 3.104 0.003 . 2 . . . . . 30 ARG HD2 . 50490 1
347 . 1 . 1 30 30 ARG HD3 H 1 3.104 0.003 . 2 . . . . . 30 ARG HD3 . 50490 1
348 . 1 . 1 30 30 ARG HE H 1 7.380 0.003 . 1 . . . . . 30 ARG HE . 50490 1
349 . 1 . 1 30 30 ARG CA C 13 56.075 0.085 . 1 . . . . . 30 ARG CA . 50490 1
350 . 1 . 1 30 30 ARG CB C 13 30.692 0.034 . 1 . . . . . 30 ARG CB . 50490 1
351 . 1 . 1 30 30 ARG CG C 13 27.272 0.010 . 1 . . . . . 30 ARG CG . 50490 1
352 . 1 . 1 30 30 ARG CD C 13 43.350 0.076 . 1 . . . . . 30 ARG CD . 50490 1
stop_
save_