Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15485
_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 $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' . . . 15485 1
7 '3D 1H-13C NOESY' . . . 15485 1
8 '3D 1H-15N NOESY' . . . 15485 1
11 '2D 1H-13C HSQC' . . . 15485 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
2 $SPARKY . . 15485 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.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 29 29 LEU H H 1 8.230 0.017 . . . . . . 29 L HN . 15485 1
2 . 1 1 29 29 LEU HA H 1 4.582 0.010 . . . . . . 29 L HA . 15485 1
3 . 1 1 29 29 LEU HB2 H 1 1.426 0.004 . . . . . . 29 L HB2 . 15485 1
4 . 1 1 29 29 LEU HB3 H 1 1.500 0.004 . . . . . . 29 L HB3 . 15485 1
5 . 1 1 29 29 LEU HD11 H 1 0.745 0.004 . . . . . . 29 L QD1 . 15485 1
6 . 1 1 29 29 LEU HD12 H 1 0.745 0.004 . . . . . . 29 L QD1 . 15485 1
7 . 1 1 29 29 LEU HD13 H 1 0.745 0.004 . . . . . . 29 L QD1 . 15485 1
8 . 1 1 29 29 LEU HD21 H 1 0.893 0.006 . . . . . . 29 L QD2 . 15485 1
9 . 1 1 29 29 LEU HD22 H 1 0.893 0.006 . . . . . . 29 L QD2 . 15485 1
10 . 1 1 29 29 LEU HD23 H 1 0.893 0.006 . . . . . . 29 L QD2 . 15485 1
11 . 1 1 29 29 LEU HG H 1 1.595 0.011 . . . . . . 29 L HG . 15485 1
12 . 1 1 29 29 LEU CA C 13 52.261 0.142 . . . . . . 29 L CA . 15485 1
13 . 1 1 29 29 LEU CB C 13 41.236 0.150 . . . . . . 29 L CB . 15485 1
14 . 1 1 29 29 LEU CD1 C 13 16.087 0.069 . . . . . . 29 L CD1 . 15485 1
15 . 1 1 29 29 LEU CD2 C 13 22.717 0.089 . . . . . . 29 L CD2 . 15485 1
16 . 1 1 29 29 LEU CG C 13 24.849 0.028 . . . . . . 29 L CG . 15485 1
17 . 1 1 29 29 LEU N N 15 115.993 0.017 . . . . . . 29 L N . 15485 1
18 . 1 1 30 30 SER H H 1 8.479 0.007 . . . . . . 30 S HN . 15485 1
19 . 1 1 30 30 SER HA H 1 4.262 0.003 . . . . . . 30 S HA . 15485 1
20 . 1 1 30 30 SER HB2 H 1 3.825 0.010 . . . . . . 30 S HB2 . 15485 1
21 . 1 1 30 30 SER HB3 H 1 3.977 0.006 . . . . . . 30 S HB3 . 15485 1
22 . 1 1 30 30 SER CA C 13 55.928 0.229 . . . . . . 30 S CA . 15485 1
23 . 1 1 30 30 SER CB C 13 61.993 0.236 . . . . . . 30 S CB . 15485 1
24 . 1 1 30 30 SER N N 15 109.497 0.006 . . . . . . 30 S N . 15485 1
25 . 1 1 31 31 ASN H H 1 8.212 0.006 . . . . . . 31 N HN . 15485 1
26 . 1 1 31 31 ASN HA H 1 4.589 0.015 . . . . . . 31 N HA . 15485 1
27 . 1 1 31 31 ASN HB2 H 1 2.653 0.006 . . . . . . 31 N HB2 . 15485 1
28 . 1 1 31 31 ASN HB3 H 1 2.831 0.008 . . . . . . 31 N HB3 . 15485 1
29 . 1 1 31 31 ASN HD21 H 1 6.728 0.003 . . . . . . 31 N HD21 . 15485 1
30 . 1 1 31 31 ASN HD22 H 1 7.353 0.001 . . . . . . 31 N HD22 . 15485 1
31 . 1 1 31 31 ASN CA C 13 50.930 0.219 . . . . . . 31 N CA . 15485 1
32 . 1 1 31 31 ASN CB C 13 37.072 0.099 . . . . . . 31 N CB . 15485 1
33 . 1 1 31 31 ASN N N 15 113.208 0.017 . . . . . . 31 N N . 15485 1
34 . 1 1 31 31 ASN ND2 N 15 104.501 0.003 . . . . . . 31 N ND2 . 15485 1
35 . 1 1 32 32 THR H H 1 8.244 0.006 . . . . . . 32 T HN . 15485 1
36 . 1 1 32 32 THR HA H 1 4.492 0.004 . . . . . . 32 T HA . 15485 1
37 . 1 1 32 32 THR HB H 1 4.872 0.000 . . . . . . 32 T HB . 15485 1
38 . 1 1 32 32 THR HG21 H 1 0.950 0.006 . . . . . . 32 T QG2 . 15485 1
39 . 1 1 32 32 THR HG22 H 1 0.950 0.006 . . . . . . 32 T QG2 . 15485 1
40 . 1 1 32 32 THR HG23 H 1 0.950 0.006 . . . . . . 32 T QG2 . 15485 1
41 . 1 1 32 32 THR CA C 13 60.172 0.199 . . . . . . 32 T CA . 15485 1
42 . 1 1 32 32 THR CB C 13 68.045 0.030 . . . . . . 32 T CB . 15485 1
43 . 1 1 32 32 THR CG2 C 13 20.395 0.039 . . . . . . 32 T CG2 . 15485 1
44 . 1 1 32 32 THR N N 15 101.753 0.053 . . . . . . 32 T N . 15485 1
45 . 1 1 33 33 ARG H H 1 8.442 0.007 . . . . . . 33 R HN . 15485 1
46 . 1 1 33 33 ARG HA H 1 5.042 0.002 . . . . . . 33 R HA . 15485 1
47 . 1 1 33 33 ARG HB2 H 1 1.425 0.012 . . . . . . 33 R HB2 . 15485 1
48 . 1 1 33 33 ARG HB3 H 1 1.943 0.003 . . . . . . 33 R HB3 . 15485 1
49 . 1 1 33 33 ARG HD2 H 1 2.986 0.009 . . . . . . 33 R QD . 15485 1
50 . 1 1 33 33 ARG HD3 H 1 2.986 0.009 . . . . . . 33 R QD . 15485 1
51 . 1 1 33 33 ARG HG2 H 1 1.538 0.003 . . . . . . 33 R QG . 15485 1
52 . 1 1 33 33 ARG HG3 H 1 1.538 0.003 . . . . . . 33 R QG . 15485 1
53 . 1 1 33 33 ARG CA C 13 53.693 0.199 . . . . . . 33 R CA . 15485 1
54 . 1 1 33 33 ARG CB C 13 30.088 0.114 . . . . . . 33 R CB . 15485 1
55 . 1 1 33 33 ARG CD C 13 41.703 0.122 . . . . . . 33 R CD . 15485 1
56 . 1 1 33 33 ARG CG C 13 27.071 0.055 . . . . . . 33 R CG . 15485 1
57 . 1 1 33 33 ARG N N 15 119.094 0.017 . . . . . . 33 R N . 15485 1
58 . 1 1 34 34 LEU H H 1 9.533 0.008 . . . . . . 34 L HN . 15485 1
59 . 1 1 34 34 LEU HA H 1 5.154 0.006 . . . . . . 34 L HA . 15485 1
60 . 1 1 34 34 LEU HB2 H 1 1.115 0.004 . . . . . . 34 L HB2 . 15485 1
61 . 1 1 34 34 LEU HB3 H 1 1.627 0.006 . . . . . . 34 L HB3 . 15485 1
62 . 1 1 34 34 LEU HD11 H 1 0.431 0.006 . . . . . . 34 L QD1 . 15485 1
63 . 1 1 34 34 LEU HD12 H 1 0.431 0.006 . . . . . . 34 L QD1 . 15485 1
64 . 1 1 34 34 LEU HD13 H 1 0.431 0.006 . . . . . . 34 L QD1 . 15485 1
65 . 1 1 34 34 LEU HD21 H 1 0.773 0.009 . . . . . . 34 L QD2 . 15485 1
66 . 1 1 34 34 LEU HD22 H 1 0.773 0.009 . . . . . . 34 L QD2 . 15485 1
67 . 1 1 34 34 LEU HD23 H 1 0.773 0.009 . . . . . . 34 L QD2 . 15485 1
68 . 1 1 34 34 LEU HG H 1 1.708 0.006 . . . . . . 34 L HG . 15485 1
69 . 1 1 34 34 LEU CA C 13 51.165 0.176 . . . . . . 34 L CA . 15485 1
70 . 1 1 34 34 LEU CB C 13 41.820 0.144 . . . . . . 34 L CB . 15485 1
71 . 1 1 34 34 LEU CD1 C 13 21.991 0.061 . . . . . . 34 L CD1 . 15485 1
72 . 1 1 34 34 LEU CD2 C 13 24.295 0.115 . . . . . . 34 L CD2 . 15485 1
73 . 1 1 34 34 LEU CG C 13 24.745 0.048 . . . . . . 34 L CG . 15485 1
74 . 1 1 34 34 LEU N N 15 121.115 0.032 . . . . . . 34 L N . 15485 1
75 . 1 1 35 35 PHE H H 1 9.402 0.004 . . . . . . 35 F HN . 15485 1
76 . 1 1 35 35 PHE HA H 1 5.147 0.034 . . . . . . 35 F HA . 15485 1
77 . 1 1 35 35 PHE HB2 H 1 2.828 0.015 . . . . . . 35 F HB2 . 15485 1
78 . 1 1 35 35 PHE HB3 H 1 2.983 0.005 . . . . . . 35 F HB3 . 15485 1
79 . 1 1 35 35 PHE HD1 H 1 6.752 0.004 . . . . . . 35 F QD . 15485 1
80 . 1 1 35 35 PHE HD2 H 1 6.752 0.004 . . . . . . 35 F QD . 15485 1
81 . 1 1 35 35 PHE CA C 13 53.422 0.134 . . . . . . 35 F CA . 15485 1
82 . 1 1 35 35 PHE CB C 13 39.192 0.151 . . . . . . 35 F CB . 15485 1
83 . 1 1 35 35 PHE N N 15 118.703 0.009 . . . . . . 35 F N . 15485 1
84 . 1 1 36 36 VAL H H 1 8.645 0.003 . . . . . . 36 V HN . 15485 1
85 . 1 1 36 36 VAL HA H 1 5.148 0.024 . . . . . . 36 V HA . 15485 1
86 . 1 1 36 36 VAL HB H 1 1.873 0.002 . . . . . . 36 V HB . 15485 1
87 . 1 1 36 36 VAL HG11 H 1 0.830 0.007 . . . . . . 36 V QG1 . 15485 1
88 . 1 1 36 36 VAL HG12 H 1 0.830 0.007 . . . . . . 36 V QG1 . 15485 1
89 . 1 1 36 36 VAL HG13 H 1 0.830 0.007 . . . . . . 36 V QG1 . 15485 1
90 . 1 1 36 36 VAL HG21 H 1 1.061 0.007 . . . . . . 36 V QG2 . 15485 1
91 . 1 1 36 36 VAL HG22 H 1 1.061 0.007 . . . . . . 36 V QG2 . 15485 1
92 . 1 1 36 36 VAL HG23 H 1 1.061 0.007 . . . . . . 36 V QG2 . 15485 1
93 . 1 1 36 36 VAL CA C 13 58.185 0.211 . . . . . . 36 V CA . 15485 1
94 . 1 1 36 36 VAL CB C 13 33.137 0.077 . . . . . . 36 V CB . 15485 1
95 . 1 1 36 36 VAL CG1 C 13 20.527 0.070 . . . . . . 36 V CG1 . 15485 1
96 . 1 1 36 36 VAL CG2 C 13 21.140 0.007 . . . . . . 36 V CG2 . 15485 1
97 . 1 1 36 36 VAL N N 15 121.008 0.020 . . . . . . 36 V N . 15485 1
98 . 1 1 37 37 ARG H H 1 8.279 0.002 . . . . . . 37 R HN . 15485 1
99 . 1 1 37 37 ARG HA H 1 4.442 0.001 . . . . . . 37 R HA . 15485 1
100 . 1 1 37 37 ARG HB2 H 1 1.603 0.000 . . . . . . 37 R HB2 . 15485 1
101 . 1 1 37 37 ARG HB3 H 1 1.670 0.002 . . . . . . 37 R HB3 . 15485 1
102 . 1 1 37 37 ARG HD2 H 1 2.898 0.008 . . . . . . 37 R HD2 . 15485 1
103 . 1 1 37 37 ARG HD3 H 1 3.034 0.010 . . . . . . 37 R HD3 . 15485 1
104 . 1 1 37 37 ARG HG2 H 1 1.228 0.002 . . . . . . 37 R HG2 . 15485 1
105 . 1 1 37 37 ARG HG3 H 1 1.387 0.007 . . . . . . 37 R HG3 . 15485 1
106 . 1 1 37 37 ARG CA C 13 51.398 0.081 . . . . . . 37 R CA . 15485 1
107 . 1 1 37 37 ARG CB C 13 29.228 0.091 . . . . . . 37 R CB . 15485 1
108 . 1 1 37 37 ARG CD C 13 41.349 0.038 . . . . . . 37 R CD . 15485 1
109 . 1 1 37 37 ARG CG C 13 22.511 0.062 . . . . . . 37 R CG . 15485 1
110 . 1 1 37 37 ARG N N 15 116.711 0.034 . . . . . . 37 R N . 15485 1
111 . 1 1 38 38 PRO HA H 1 4.805 0.005 . . . . . . 38 P HA . 15485 1
112 . 1 1 38 38 PRO HB2 H 1 1.933 0.006 . . . . . . 38 P HB2 . 15485 1
113 . 1 1 38 38 PRO HB3 H 1 2.125 0.004 . . . . . . 38 P HB3 . 15485 1
114 . 1 1 38 38 PRO HD2 H 1 3.532 0.016 . . . . . . 38 P QD . 15485 1
115 . 1 1 38 38 PRO HD3 H 1 3.532 0.016 . . . . . . 38 P QD . 15485 1
116 . 1 1 38 38 PRO HG2 H 1 1.843 0.004 . . . . . . 38 P QG . 15485 1
117 . 1 1 38 38 PRO HG3 H 1 1.843 0.004 . . . . . . 38 P QG . 15485 1
118 . 1 1 38 38 PRO CA C 13 59.578 0.238 . . . . . . 38 P CA . 15485 1
119 . 1 1 38 38 PRO CB C 13 32.374 0.128 . . . . . . 38 P CB . 15485 1
120 . 1 1 38 38 PRO CD C 13 50.070 0.000 . . . . . . 38 P CD . 15485 1
121 . 1 1 38 38 PRO CG C 13 21.461 0.069 . . . . . . 38 P CG . 15485 1
122 . 1 1 39 39 PHE H H 1 7.375 0.004 . . . . . . 39 F HN . 15485 1
123 . 1 1 39 39 PHE HA H 1 5.004 0.004 . . . . . . 39 F HA . 15485 1
124 . 1 1 39 39 PHE HB2 H 1 2.066 0.007 . . . . . . 39 F HB2 . 15485 1
125 . 1 1 39 39 PHE HB3 H 1 3.002 0.010 . . . . . . 39 F HB3 . 15485 1
126 . 1 1 39 39 PHE HD1 H 1 6.644 0.011 . . . . . . 39 F QD . 15485 1
127 . 1 1 39 39 PHE HD2 H 1 6.644 0.011 . . . . . . 39 F QD . 15485 1
128 . 1 1 39 39 PHE HE1 H 1 6.448 0.007 . . . . . . 39 F QE . 15485 1
129 . 1 1 39 39 PHE HE2 H 1 6.448 0.007 . . . . . . 39 F QE . 15485 1
130 . 1 1 39 39 PHE CA C 13 53.637 0.200 . . . . . . 39 F CA . 15485 1
131 . 1 1 39 39 PHE CB C 13 41.171 0.160 . . . . . . 39 F CB . 15485 1
132 . 1 1 39 39 PHE CE1 C 13 126.674 0.040 . . . . . . 39 F CE1 . 15485 1
133 . 1 1 39 39 PHE N N 15 107.000 0.001 . . . . . . 39 F N . 15485 1
134 . 1 1 40 40 PRO HA H 1 4.603 0.012 . . . . . . 40 P HA . 15485 1
135 . 1 1 40 40 PRO HB2 H 1 2.055 0.005 . . . . . . 40 P HB2 . 15485 1
136 . 1 1 40 40 PRO HB3 H 1 2.534 0.006 . . . . . . 40 P HB3 . 15485 1
137 . 1 1 40 40 PRO CA C 13 60.454 0.129 . . . . . . 40 P CA . 15485 1
138 . 1 1 40 40 PRO CB C 13 30.775 0.080 . . . . . . 40 P CB . 15485 1
139 . 1 1 41 41 LEU H H 1 8.739 0.007 . . . . . . 41 L HN . 15485 1
140 . 1 1 41 41 LEU HA H 1 4.173 0.005 . . . . . . 41 L HA . 15485 1
141 . 1 1 41 41 LEU HB2 H 1 1.584 0.007 . . . . . . 41 L HB2 . 15485 1
142 . 1 1 41 41 LEU HB3 H 1 1.705 0.009 . . . . . . 41 L HB3 . 15485 1
143 . 1 1 41 41 LEU HD11 H 1 0.858 0.005 . . . . . . 41 L QD1 . 15485 1
144 . 1 1 41 41 LEU HD12 H 1 0.858 0.005 . . . . . . 41 L QD1 . 15485 1
145 . 1 1 41 41 LEU HD13 H 1 0.858 0.005 . . . . . . 41 L QD1 . 15485 1
146 . 1 1 41 41 LEU HD21 H 1 0.945 0.003 . . . . . . 41 L QD2 . 15485 1
147 . 1 1 41 41 LEU HD22 H 1 0.945 0.003 . . . . . . 41 L QD2 . 15485 1
148 . 1 1 41 41 LEU HD23 H 1 0.945 0.003 . . . . . . 41 L QD2 . 15485 1
149 . 1 1 41 41 LEU HG H 1 1.799 0.005 . . . . . . 41 L HG . 15485 1
150 . 1 1 41 41 LEU CA C 13 55.086 0.177 . . . . . . 41 L CA . 15485 1
151 . 1 1 41 41 LEU CB C 13 39.088 0.159 . . . . . . 41 L CB . 15485 1
152 . 1 1 41 41 LEU CD1 C 13 20.517 0.081 . . . . . . 41 L CD1 . 15485 1
153 . 1 1 41 41 LEU CD2 C 13 23.262 0.141 . . . . . . 41 L CD2 . 15485 1
154 . 1 1 41 41 LEU CG C 13 25.351 0.074 . . . . . . 41 L CG . 15485 1
155 . 1 1 41 41 LEU N N 15 115.799 0.003 . . . . . . 41 L N . 15485 1
156 . 1 1 42 42 ASP H H 1 8.156 0.003 . . . . . . 42 D HN . 15485 1
157 . 1 1 42 42 ASP HA H 1 4.607 0.004 . . . . . . 42 D HA . 15485 1
158 . 1 1 42 42 ASP HB2 H 1 2.507 0.004 . . . . . . 42 D HB2 . 15485 1
159 . 1 1 42 42 ASP HB3 H 1 2.925 0.008 . . . . . . 42 D HB3 . 15485 1
160 . 1 1 42 42 ASP CA C 13 50.680 0.250 . . . . . . 42 D CA . 15485 1
161 . 1 1 42 42 ASP CB C 13 37.628 0.138 . . . . . . 42 D CB . 15485 1
162 . 1 1 42 42 ASP N N 15 108.915 0.032 . . . . . . 42 D N . 15485 1
163 . 1 1 43 43 VAL H H 1 7.027 0.003 . . . . . . 43 V HN . 15485 1
164 . 1 1 43 43 VAL HA H 1 4.163 0.004 . . . . . . 43 V HA . 15485 1
165 . 1 1 43 43 VAL HB H 1 2.019 0.005 . . . . . . 43 V HB . 15485 1
166 . 1 1 43 43 VAL HG11 H 1 0.515 0.004 . . . . . . 43 V QG1 . 15485 1
167 . 1 1 43 43 VAL HG12 H 1 0.515 0.004 . . . . . . 43 V QG1 . 15485 1
168 . 1 1 43 43 VAL HG13 H 1 0.515 0.004 . . . . . . 43 V QG1 . 15485 1
169 . 1 1 43 43 VAL HG21 H 1 0.834 0.005 . . . . . . 43 V QG2 . 15485 1
170 . 1 1 43 43 VAL HG22 H 1 0.834 0.005 . . . . . . 43 V QG2 . 15485 1
171 . 1 1 43 43 VAL HG23 H 1 0.834 0.005 . . . . . . 43 V QG2 . 15485 1
172 . 1 1 43 43 VAL CA C 13 60.434 0.149 . . . . . . 43 V CA . 15485 1
173 . 1 1 43 43 VAL CB C 13 30.060 0.247 . . . . . . 43 V CB . 15485 1
174 . 1 1 43 43 VAL CG1 C 13 18.203 0.037 . . . . . . 43 V CG1 . 15485 1
175 . 1 1 43 43 VAL CG2 C 13 20.326 0.108 . . . . . . 43 V CG2 . 15485 1
176 . 1 1 43 43 VAL N N 15 115.207 0.021 . . . . . . 43 V N . 15485 1
177 . 1 1 44 44 GLN H H 1 8.595 0.003 . . . . . . 44 Q HN . 15485 1
178 . 1 1 44 44 GLN HA H 1 4.612 0.004 . . . . . . 44 Q HA . 15485 1
179 . 1 1 44 44 GLN HB2 H 1 1.935 0.000 . . . . . . 44 Q QB . 15485 1
180 . 1 1 44 44 GLN HB3 H 1 1.935 0.000 . . . . . . 44 Q QB . 15485 1
181 . 1 1 44 44 GLN HE21 H 1 6.798 0.001 . . . . . . 44 Q HE21 . 15485 1
182 . 1 1 44 44 GLN HE22 H 1 7.459 0.003 . . . . . . 44 Q HE22 . 15485 1
183 . 1 1 44 44 GLN HG2 H 1 2.426 0.011 . . . . . . 44 Q QG . 15485 1
184 . 1 1 44 44 GLN HG3 H 1 2.426 0.011 . . . . . . 44 Q QG . 15485 1
185 . 1 1 44 44 GLN CA C 13 51.960 0.176 . . . . . . 44 Q CA . 15485 1
186 . 1 1 44 44 GLN CB C 13 29.655 0.000 . . . . . . 44 Q CB . 15485 1
187 . 1 1 44 44 GLN CG C 13 32.147 0.134 . . . . . . 44 Q CG . 15485 1
188 . 1 1 44 44 GLN N N 15 118.005 0.010 . . . . . . 44 Q N . 15485 1
189 . 1 1 44 44 GLN NE2 N 15 108.105 0.010 . . . . . . 44 Q NE2 . 15485 1
190 . 1 1 45 45 GLU H H 1 9.162 0.007 . . . . . . 45 E HN . 15485 1
191 . 1 1 45 45 GLU HA H 1 3.569 0.007 . . . . . . 45 E HA . 15485 1
192 . 1 1 45 45 GLU HB2 H 1 1.946 0.006 . . . . . . 45 E HB2 . 15485 1
193 . 1 1 45 45 GLU HB3 H 1 2.052 0.008 . . . . . . 45 E HB3 . 15485 1
194 . 1 1 45 45 GLU HG2 H 1 2.160 0.005 . . . . . . 45 E QG . 15485 1
195 . 1 1 45 45 GLU HG3 H 1 2.160 0.005 . . . . . . 45 E QG . 15485 1
196 . 1 1 45 45 GLU CA C 13 59.018 0.249 . . . . . . 45 E CA . 15485 1
197 . 1 1 45 45 GLU CB C 13 27.244 0.017 . . . . . . 45 E CB . 15485 1
198 . 1 1 45 45 GLU CG C 13 34.529 0.056 . . . . . . 45 E CG . 15485 1
199 . 1 1 45 45 GLU N N 15 118.103 0.006 . . . . . . 45 E N . 15485 1
200 . 1 1 46 46 SER HA H 1 4.069 0.015 . . . . . . 46 S HA . 15485 1
201 . 1 1 46 46 SER HB2 H 1 3.906 0.000 . . . . . . 46 S QB . 15485 1
202 . 1 1 46 46 SER HB3 H 1 3.906 0.000 . . . . . . 46 S QB . 15485 1
203 . 1 1 46 46 SER CA C 13 59.419 0.129 . . . . . . 46 S CA . 15485 1
204 . 1 1 47 47 GLU H H 1 7.277 0.004 . . . . . . 47 E HN . 15485 1
205 . 1 1 47 47 GLU HA H 1 4.176 0.004 . . . . . . 47 E HA . 15485 1
206 . 1 1 47 47 GLU HB2 H 1 2.042 0.002 . . . . . . 47 E HB2 . 15485 1
207 . 1 1 47 47 GLU HB3 H 1 2.404 0.004 . . . . . . 47 E HB3 . 15485 1
208 . 1 1 47 47 GLU HG2 H 1 2.282 0.013 . . . . . . 47 E HG2 . 15485 1
209 . 1 1 47 47 GLU HG3 H 1 2.349 0.012 . . . . . . 47 E HG3 . 15485 1
210 . 1 1 47 47 GLU CA C 13 57.316 0.204 . . . . . . 47 E CA . 15485 1
211 . 1 1 47 47 GLU CB C 13 27.389 0.066 . . . . . . 47 E CB . 15485 1
212 . 1 1 47 47 GLU CG C 13 36.344 0.107 . . . . . . 47 E CG . 15485 1
213 . 1 1 47 47 GLU N N 15 115.996 0.009 . . . . . . 47 E N . 15485 1
214 . 1 1 48 48 LEU H H 1 7.090 0.001 . . . . . . 48 L HN . 15485 1
215 . 1 1 48 48 LEU HA H 1 4.010 0.004 . . . . . . 48 L HA . 15485 1
216 . 1 1 48 48 LEU HB2 H 1 1.414 0.004 . . . . . . 48 L HB2 . 15485 1
217 . 1 1 48 48 LEU HB3 H 1 1.668 0.008 . . . . . . 48 L HB3 . 15485 1
218 . 1 1 48 48 LEU HD11 H 1 0.697 0.006 . . . . . . 48 L QD1 . 15485 1
219 . 1 1 48 48 LEU HD12 H 1 0.697 0.006 . . . . . . 48 L QD1 . 15485 1
220 . 1 1 48 48 LEU HD13 H 1 0.697 0.006 . . . . . . 48 L QD1 . 15485 1
221 . 1 1 48 48 LEU HD21 H 1 0.166 0.004 . . . . . . 48 L QD2 . 15485 1
222 . 1 1 48 48 LEU HD22 H 1 0.166 0.004 . . . . . . 48 L QD2 . 15485 1
223 . 1 1 48 48 LEU HD23 H 1 0.166 0.004 . . . . . . 48 L QD2 . 15485 1
224 . 1 1 48 48 LEU HG H 1 1.241 0.005 . . . . . . 48 L HG . 15485 1
225 . 1 1 48 48 LEU CA C 13 56.284 0.240 . . . . . . 48 L CA . 15485 1
226 . 1 1 48 48 LEU CB C 13 39.317 0.095 . . . . . . 48 L CB . 15485 1
227 . 1 1 48 48 LEU CD1 C 13 19.648 0.128 . . . . . . 48 L CD1 . 15485 1
228 . 1 1 48 48 LEU CD2 C 13 23.120 0.055 . . . . . . 48 L CD2 . 15485 1
229 . 1 1 48 48 LEU CG C 13 27.578 0.096 . . . . . . 48 L CG . 15485 1
230 . 1 1 48 48 LEU N N 15 114.103 0.008 . . . . . . 48 L N . 15485 1
231 . 1 1 49 49 ASN H H 1 8.599 0.006 . . . . . . 49 N HN . 15485 1
232 . 1 1 49 49 ASN HA H 1 4.302 0.005 . . . . . . 49 N HA . 15485 1
233 . 1 1 49 49 ASN HB2 H 1 2.774 0.008 . . . . . . 49 N HB2 . 15485 1
234 . 1 1 49 49 ASN HB3 H 1 2.835 0.007 . . . . . . 49 N HB3 . 15485 1
235 . 1 1 49 49 ASN HD21 H 1 6.688 0.003 . . . . . . 49 N HD21 . 15485 1
236 . 1 1 49 49 ASN HD22 H 1 7.297 0.004 . . . . . . 49 N HD22 . 15485 1
237 . 1 1 49 49 ASN CA C 13 54.550 0.219 . . . . . . 49 N CA . 15485 1
238 . 1 1 49 49 ASN CB C 13 35.917 0.095 . . . . . . 49 N CB . 15485 1
239 . 1 1 49 49 ASN N N 15 113.807 0.017 . . . . . . 49 N N . 15485 1
240 . 1 1 49 49 ASN ND2 N 15 102.902 0.009 . . . . . . 49 N ND2 . 15485 1
241 . 1 1 50 50 GLU H H 1 7.625 0.004 . . . . . . 50 E HN . 15485 1
242 . 1 1 50 50 GLU HA H 1 4.012 0.005 . . . . . . 50 E HA . 15485 1
243 . 1 1 50 50 GLU HB2 H 1 2.115 0.008 . . . . . . 50 E HB2 . 15485 1
244 . 1 1 50 50 GLU HB3 H 1 2.188 0.005 . . . . . . 50 E HB3 . 15485 1
245 . 1 1 50 50 GLU HG2 H 1 2.271 0.004 . . . . . . 50 E HG2 . 15485 1
246 . 1 1 50 50 GLU HG3 H 1 2.424 0.004 . . . . . . 50 E HG3 . 15485 1
247 . 1 1 50 50 GLU CA C 13 57.062 0.120 . . . . . . 50 E CA . 15485 1
248 . 1 1 50 50 GLU CB C 13 27.684 0.100 . . . . . . 50 E CB . 15485 1
249 . 1 1 50 50 GLU CG C 13 34.300 0.065 . . . . . . 50 E CG . 15485 1
250 . 1 1 50 50 GLU N N 15 113.797 0.010 . . . . . . 50 E N . 15485 1
251 . 1 1 51 51 ILE H H 1 7.076 0.003 . . . . . . 51 I HN . 15485 1
252 . 1 1 51 51 ILE HA H 1 3.674 0.004 . . . . . . 51 I HA . 15485 1
253 . 1 1 51 51 ILE HB H 1 1.447 0.006 . . . . . . 51 I HB . 15485 1
254 . 1 1 51 51 ILE HD11 H 1 0.587 0.005 . . . . . . 51 I QD1 . 15485 1
255 . 1 1 51 51 ILE HD12 H 1 0.587 0.005 . . . . . . 51 I QD1 . 15485 1
256 . 1 1 51 51 ILE HD13 H 1 0.587 0.005 . . . . . . 51 I QD1 . 15485 1
257 . 1 1 51 51 ILE HG12 H 1 0.877 0.004 . . . . . . 51 I HG12 . 15485 1
258 . 1 1 51 51 ILE HG13 H 1 1.706 0.005 . . . . . . 51 I HG13 . 15485 1
259 . 1 1 51 51 ILE HG21 H 1 0.055 0.004 . . . . . . 51 I QG2 . 15485 1
260 . 1 1 51 51 ILE HG22 H 1 0.055 0.004 . . . . . . 51 I QG2 . 15485 1
261 . 1 1 51 51 ILE HG23 H 1 0.055 0.004 . . . . . . 51 I QG2 . 15485 1
262 . 1 1 51 51 ILE CA C 13 62.128 0.210 . . . . . . 51 I CA . 15485 1
263 . 1 1 51 51 ILE CB C 13 37.701 0.175 . . . . . . 51 I CB . 15485 1
264 . 1 1 51 51 ILE CD1 C 13 11.323 0.006 . . . . . . 51 I CD1 . 15485 1
265 . 1 1 51 51 ILE CG1 C 13 25.467 0.013 . . . . . . 51 I CG1 . 15485 1
266 . 1 1 51 51 ILE CG2 C 13 15.200 0.079 . . . . . . 51 I CG2 . 15485 1
267 . 1 1 51 51 ILE N N 15 109.907 0.021 . . . . . . 51 I N . 15485 1
268 . 1 1 52 52 PHE H H 1 8.140 0.006 . . . . . . 52 F HN . 15485 1
269 . 1 1 52 52 PHE HA H 1 4.923 0.006 . . . . . . 52 F HA . 15485 1
270 . 1 1 52 52 PHE HB2 H 1 2.763 0.006 . . . . . . 52 F HB2 . 15485 1
271 . 1 1 52 52 PHE HB3 H 1 3.578 0.009 . . . . . . 52 F HB3 . 15485 1
272 . 1 1 52 52 PHE HD1 H 1 7.474 0.004 . . . . . . 52 F QD . 15485 1
273 . 1 1 52 52 PHE HD2 H 1 7.474 0.004 . . . . . . 52 F QD . 15485 1
274 . 1 1 52 52 PHE HE1 H 1 7.122 0.006 . . . . . . 52 F QE . 15485 1
275 . 1 1 52 52 PHE HE2 H 1 7.122 0.006 . . . . . . 52 F QE . 15485 1
276 . 1 1 52 52 PHE HZ H 1 7.019 0.004 . . . . . . 52 F HZ . 15485 1
277 . 1 1 52 52 PHE CA C 13 59.432 0.274 . . . . . . 52 F CA . 15485 1
278 . 1 1 52 52 PHE CB C 13 39.186 0.117 . . . . . . 52 F CB . 15485 1
279 . 1 1 52 52 PHE CD1 C 13 126.587 0.000 . . . . . . 52 F CD1 . 15485 1
280 . 1 1 52 52 PHE CE1 C 13 126.667 0.000 . . . . . . 52 F CE1 . 15485 1
281 . 1 1 52 52 PHE CZ C 13 125.697 0.000 . . . . . . 52 F CZ . 15485 1
282 . 1 1 52 52 PHE N N 15 107.003 0.008 . . . . . . 52 F N . 15485 1
283 . 1 1 53 53 GLY H H 1 8.299 0.005 . . . . . . 53 G HN . 15485 1
284 . 1 1 53 53 GLY HA2 H 1 4.203 0.006 . . . . . . 53 G QA . 15485 1
285 . 1 1 53 53 GLY HA3 H 1 4.203 0.006 . . . . . . 53 G QA . 15485 1
286 . 1 1 53 53 GLY CA C 13 45.948 0.155 . . . . . . 53 G CA . 15485 1
287 . 1 1 53 53 GLY N N 15 103.609 0.015 . . . . . . 53 G N . 15485 1
288 . 1 1 54 54 PRO HA H 1 4.112 0.004 . . . . . . 54 P HA . 15485 1
289 . 1 1 54 54 PRO HB2 H 1 2.012 0.005 . . . . . . 54 P QB . 15485 1
290 . 1 1 54 54 PRO HB3 H 1 2.012 0.005 . . . . . . 54 P QB . 15485 1
291 . 1 1 54 54 PRO HD2 H 1 3.021 0.008 . . . . . . 54 P HD2 . 15485 1
292 . 1 1 54 54 PRO HD3 H 1 3.503 0.004 . . . . . . 54 P HD3 . 15485 1
293 . 1 1 54 54 PRO HG2 H 1 1.687 0.002 . . . . . . 54 P QG . 15485 1
294 . 1 1 54 54 PRO HG3 H 1 1.687 0.002 . . . . . . 54 P QG . 15485 1
295 . 1 1 54 54 PRO CA C 13 63.119 0.168 . . . . . . 54 P CA . 15485 1
296 . 1 1 54 54 PRO CB C 13 30.030 0.057 . . . . . . 54 P CB . 15485 1
297 . 1 1 54 54 PRO CD C 13 50.314 0.232 . . . . . . 54 P CD . 15485 1
298 . 1 1 54 54 PRO CG C 13 25.818 0.046 . . . . . . 54 P CG . 15485 1
299 . 1 1 55 55 PHE H H 1 7.548 0.003 . . . . . . 55 F HN . 15485 1
300 . 1 1 55 55 PHE HA H 1 4.299 0.007 . . . . . . 55 F HA . 15485 1
301 . 1 1 55 55 PHE HB2 H 1 2.981 0.004 . . . . . . 55 F HB2 . 15485 1
302 . 1 1 55 55 PHE HB3 H 1 3.222 0.008 . . . . . . 55 F HB3 . 15485 1
303 . 1 1 55 55 PHE HD1 H 1 7.342 0.005 . . . . . . 55 F QD . 15485 1
304 . 1 1 55 55 PHE HD2 H 1 7.342 0.005 . . . . . . 55 F QD . 15485 1
305 . 1 1 55 55 PHE HE1 H 1 7.511 0.004 . . . . . . 55 F QE . 15485 1
306 . 1 1 55 55 PHE HE2 H 1 7.511 0.004 . . . . . . 55 F QE . 15485 1
307 . 1 1 55 55 PHE HZ H 1 7.126 0.006 . . . . . . 55 F HZ . 15485 1
308 . 1 1 55 55 PHE CA C 13 57.859 0.201 . . . . . . 55 F CA . 15485 1
309 . 1 1 55 55 PHE CB C 13 36.315 0.135 . . . . . . 55 F CB . 15485 1
310 . 1 1 55 55 PHE CD1 C 13 127.446 0.000 . . . . . . 55 F CD1 . 15485 1
311 . 1 1 55 55 PHE CE1 C 13 127.048 0.000 . . . . . . 55 F CE1 . 15485 1
312 . 1 1 55 55 PHE CZ C 13 125.538 0.000 . . . . . . 55 F CZ . 15485 1
313 . 1 1 55 55 PHE N N 15 106.503 0.009 . . . . . . 55 F N . 15485 1
314 . 1 1 56 56 GLY H H 1 7.760 0.002 . . . . . . 56 G HN . 15485 1
315 . 1 1 56 56 GLY HA2 H 1 4.001 0.002 . . . . . . 56 G QA . 15485 1
316 . 1 1 56 56 GLY HA3 H 1 4.001 0.002 . . . . . . 56 G QA . 15485 1
317 . 1 1 56 56 GLY CA C 13 42.863 0.059 . . . . . . 56 G CA . 15485 1
318 . 1 1 56 56 GLY N N 15 102.809 0.015 . . . . . . 56 G N . 15485 1
319 . 1 1 57 57 PRO HA H 1 4.451 0.008 . . . . . . 57 P HA . 15485 1
320 . 1 1 57 57 PRO HB2 H 1 2.336 0.009 . . . . . . 57 P QB . 15485 1
321 . 1 1 57 57 PRO HB3 H 1 2.336 0.009 . . . . . . 57 P QB . 15485 1
322 . 1 1 57 57 PRO HD2 H 1 3.612 0.003 . . . . . . 57 P HD2 . 15485 1
323 . 1 1 57 57 PRO HD3 H 1 3.762 0.008 . . . . . . 57 P HD3 . 15485 1
324 . 1 1 57 57 PRO HG2 H 1 2.054 0.008 . . . . . . 57 P HG2 . 15485 1
325 . 1 1 57 57 PRO HG3 H 1 2.167 0.007 . . . . . . 57 P HG3 . 15485 1
326 . 1 1 57 57 PRO CA C 13 61.615 0.175 . . . . . . 57 P CA . 15485 1
327 . 1 1 57 57 PRO CB C 13 30.316 0.155 . . . . . . 57 P CB . 15485 1
328 . 1 1 57 57 PRO CD C 13 48.890 0.000 . . . . . . 57 P CD . 15485 1
329 . 1 1 57 57 PRO CG C 13 25.962 0.122 . . . . . . 57 P CG . 15485 1
330 . 1 1 58 58 MET H H 1 9.111 0.004 . . . . . . 58 M HN . 15485 1
331 . 1 1 58 58 MET HA H 1 4.495 0.006 . . . . . . 58 M HA . 15485 1
332 . 1 1 58 58 MET HB2 H 1 1.526 0.003 . . . . . . 58 M HB2 . 15485 1
333 . 1 1 58 58 MET HB3 H 1 1.845 0.001 . . . . . . 58 M HB3 . 15485 1
334 . 1 1 58 58 MET HE1 H 1 1.812 0.005 . . . . . . 58 M QE . 15485 1
335 . 1 1 58 58 MET HE2 H 1 1.812 0.005 . . . . . . 58 M QE . 15485 1
336 . 1 1 58 58 MET HE3 H 1 1.812 0.005 . . . . . . 58 M QE . 15485 1
337 . 1 1 58 58 MET HG2 H 1 2.509 0.006 . . . . . . 58 M QG . 15485 1
338 . 1 1 58 58 MET HG3 H 1 2.509 0.006 . . . . . . 58 M QG . 15485 1
339 . 1 1 58 58 MET CA C 13 53.809 0.199 . . . . . . 58 M CA . 15485 1
340 . 1 1 58 58 MET CB C 13 32.999 0.134 . . . . . . 58 M CB . 15485 1
341 . 1 1 58 58 MET CE C 13 14.585 0.062 . . . . . . 58 M CE . 15485 1
342 . 1 1 58 58 MET CG C 13 29.965 0.122 . . . . . . 58 M CG . 15485 1
343 . 1 1 58 58 MET N N 15 118.501 0.004 . . . . . . 58 M N . 15485 1
344 . 1 1 59 59 LYS H H 1 8.915 0.004 . . . . . . 59 K HN . 15485 1
345 . 1 1 59 59 LYS HA H 1 4.285 0.006 . . . . . . 59 K HA . 15485 1
346 . 1 1 59 59 LYS HB2 H 1 1.392 0.003 . . . . . . 59 K QB . 15485 1
347 . 1 1 59 59 LYS HB3 H 1 1.392 0.003 . . . . . . 59 K QB . 15485 1
348 . 1 1 59 59 LYS HD2 H 1 1.526 0.011 . . . . . . 59 K HD2 . 15485 1
349 . 1 1 59 59 LYS HD3 H 1 1.580 0.005 . . . . . . 59 K HD3 . 15485 1
350 . 1 1 59 59 LYS HE2 H 1 2.914 0.001 . . . . . . 59 K QE . 15485 1
351 . 1 1 59 59 LYS HE3 H 1 2.914 0.001 . . . . . . 59 K QE . 15485 1
352 . 1 1 59 59 LYS HG2 H 1 1.213 0.001 . . . . . . 59 K HG2 . 15485 1
353 . 1 1 59 59 LYS HG3 H 1 1.297 0.011 . . . . . . 59 K HG3 . 15485 1
354 . 1 1 59 59 LYS CA C 13 55.334 0.204 . . . . . . 59 K CA . 15485 1
355 . 1 1 59 59 LYS CB C 13 32.511 0.208 . . . . . . 59 K CB . 15485 1
356 . 1 1 59 59 LYS CD C 13 27.295 0.060 . . . . . . 59 K CD . 15485 1
357 . 1 1 59 59 LYS CE C 13 39.919 0.042 . . . . . . 59 K CE . 15485 1
358 . 1 1 59 59 LYS CG C 13 22.692 0.048 . . . . . . 59 K CG . 15485 1
359 . 1 1 59 59 LYS N N 15 118.002 0.006 . . . . . . 59 K N . 15485 1
360 . 1 1 60 60 GLU H H 1 7.427 0.002 . . . . . . 60 E HN . 15485 1
361 . 1 1 60 60 GLU HA H 1 4.423 0.005 . . . . . . 60 E HA . 15485 1
362 . 1 1 60 60 GLU HB2 H 1 1.825 0.001 . . . . . . 60 E QB . 15485 1
363 . 1 1 60 60 GLU HB3 H 1 1.825 0.001 . . . . . . 60 E QB . 15485 1
364 . 1 1 60 60 GLU HG2 H 1 1.894 0.007 . . . . . . 60 E HG2 . 15485 1
365 . 1 1 60 60 GLU HG3 H 1 2.060 0.008 . . . . . . 60 E HG3 . 15485 1
366 . 1 1 60 60 GLU CA C 13 54.519 0.198 . . . . . . 60 E CA . 15485 1
367 . 1 1 60 60 GLU CB C 13 30.861 0.190 . . . . . . 60 E CB . 15485 1
368 . 1 1 60 60 GLU CG C 13 34.367 0.168 . . . . . . 60 E CG . 15485 1
369 . 1 1 60 60 GLU N N 15 109.101 0.002 . . . . . . 60 E N . 15485 1
370 . 1 1 61 61 VAL H H 1 8.293 0.005 . . . . . . 61 V HN . 15485 1
371 . 1 1 61 61 VAL HA H 1 4.516 0.005 . . . . . . 61 V HA . 15485 1
372 . 1 1 61 61 VAL HB H 1 1.869 0.006 . . . . . . 61 V HB . 15485 1
373 . 1 1 61 61 VAL HG11 H 1 0.703 0.014 . . . . . . 61 V QG1 . 15485 1
374 . 1 1 61 61 VAL HG12 H 1 0.703 0.014 . . . . . . 61 V QG1 . 15485 1
375 . 1 1 61 61 VAL HG13 H 1 0.703 0.014 . . . . . . 61 V QG1 . 15485 1
376 . 1 1 61 61 VAL HG21 H 1 0.826 0.005 . . . . . . 61 V QG2 . 15485 1
377 . 1 1 61 61 VAL HG22 H 1 0.826 0.005 . . . . . . 61 V QG2 . 15485 1
378 . 1 1 61 61 VAL HG23 H 1 0.826 0.005 . . . . . . 61 V QG2 . 15485 1
379 . 1 1 61 61 VAL CA C 13 59.786 0.197 . . . . . . 61 V CA . 15485 1
380 . 1 1 61 61 VAL CB C 13 32.626 0.204 . . . . . . 61 V CB . 15485 1
381 . 1 1 61 61 VAL CG1 C 13 19.549 0.007 . . . . . . 61 V CG1 . 15485 1
382 . 1 1 61 61 VAL CG2 C 13 19.957 0.038 . . . . . . 61 V CG2 . 15485 1
383 . 1 1 61 61 VAL N N 15 118.117 0.034 . . . . . . 61 V N . 15485 1
384 . 1 1 62 62 LYS H H 1 9.084 0.005 . . . . . . 62 K HN . 15485 1
385 . 1 1 62 62 LYS HB2 H 1 1.666 0.006 . . . . . . 62 K HB2 . 15485 1
386 . 1 1 62 62 LYS HB3 H 1 1.864 0.006 . . . . . . 62 K HB3 . 15485 1
387 . 1 1 62 62 LYS HD2 H 1 1.427 0.011 . . . . . . 62 K HD2 . 15485 1
388 . 1 1 62 62 LYS HD3 H 1 1.916 0.019 . . . . . . 62 K HD3 . 15485 1
389 . 1 1 62 62 LYS HE2 H 1 2.687 0.004 . . . . . . 62 K HE2 . 15485 1
390 . 1 1 62 62 LYS HE3 H 1 2.868 0.008 . . . . . . 62 K HE3 . 15485 1
391 . 1 1 62 62 LYS HG2 H 1 0.963 0.009 . . . . . . 62 K HG2 . 15485 1
392 . 1 1 62 62 LYS HG3 H 1 1.304 0.004 . . . . . . 62 K HG3 . 15485 1
393 . 1 1 62 62 LYS CB C 13 33.424 0.065 . . . . . . 62 K CB . 15485 1
394 . 1 1 62 62 LYS CD C 13 30.082 0.199 . . . . . . 62 K CD . 15485 1
395 . 1 1 62 62 LYS CE C 13 40.525 0.041 . . . . . . 62 K CE . 15485 1
396 . 1 1 62 62 LYS CG C 13 22.483 0.035 . . . . . . 62 K CG . 15485 1
397 . 1 1 62 62 LYS N N 15 122.101 0.005 . . . . . . 62 K N . 15485 1
398 . 1 1 63 63 ILE H H 1 8.806 0.007 . . . . . . 63 I HN . 15485 1
399 . 1 1 63 63 ILE HA H 1 3.901 0.001 . . . . . . 63 I HA . 15485 1
400 . 1 1 63 63 ILE HB H 1 1.646 0.002 . . . . . . 63 I HB . 15485 1
401 . 1 1 63 63 ILE HD11 H 1 0.531 0.004 . . . . . . 63 I QD1 . 15485 1
402 . 1 1 63 63 ILE HD12 H 1 0.531 0.004 . . . . . . 63 I QD1 . 15485 1
403 . 1 1 63 63 ILE HD13 H 1 0.531 0.004 . . . . . . 63 I QD1 . 15485 1
404 . 1 1 63 63 ILE HG12 H 1 1.340 0.005 . . . . . . 63 I QG1 . 15485 1
405 . 1 1 63 63 ILE HG13 H 1 1.340 0.005 . . . . . . 63 I QG1 . 15485 1
406 . 1 1 63 63 ILE HG21 H 1 0.743 0.010 . . . . . . 63 I QG2 . 15485 1
407 . 1 1 63 63 ILE HG22 H 1 0.743 0.010 . . . . . . 63 I QG2 . 15485 1
408 . 1 1 63 63 ILE HG23 H 1 0.743 0.010 . . . . . . 63 I QG2 . 15485 1
409 . 1 1 63 63 ILE CA C 13 60.231 0.188 . . . . . . 63 I CA . 15485 1
410 . 1 1 63 63 ILE CB C 13 36.664 0.115 . . . . . . 63 I CB . 15485 1
411 . 1 1 63 63 ILE CD1 C 13 11.617 0.040 . . . . . . 63 I CD1 . 15485 1
412 . 1 1 63 63 ILE CG1 C 13 26.291 0.067 . . . . . . 63 I CG1 . 15485 1
413 . 1 1 63 63 ILE CG2 C 13 16.041 0.004 . . . . . . 63 I CG2 . 15485 1
414 . 1 1 63 63 ILE N N 15 120.609 0.023 . . . . . . 63 I N . 15485 1
415 . 1 1 64 64 LEU H H 1 8.236 0.003 . . . . . . 64 L HN . 15485 1
416 . 1 1 64 64 LEU HA H 1 4.579 0.005 . . . . . . 64 L HA . 15485 1
417 . 1 1 64 64 LEU HB2 H 1 0.276 0.005 . . . . . . 64 L HB2 . 15485 1
418 . 1 1 64 64 LEU HB3 H 1 1.258 0.005 . . . . . . 64 L HB3 . 15485 1
419 . 1 1 64 64 LEU HD11 H 1 0.883 0.003 . . . . . . 64 L QD1 . 15485 1
420 . 1 1 64 64 LEU HD12 H 1 0.883 0.003 . . . . . . 64 L QD1 . 15485 1
421 . 1 1 64 64 LEU HD13 H 1 0.883 0.003 . . . . . . 64 L QD1 . 15485 1
422 . 1 1 64 64 LEU HD21 H 1 0.945 0.008 . . . . . . 64 L QD2 . 15485 1
423 . 1 1 64 64 LEU HD22 H 1 0.945 0.008 . . . . . . 64 L QD2 . 15485 1
424 . 1 1 64 64 LEU HD23 H 1 0.945 0.008 . . . . . . 64 L QD2 . 15485 1
425 . 1 1 64 64 LEU HG H 1 1.455 0.007 . . . . . . 64 L HG . 15485 1
426 . 1 1 64 64 LEU CA C 13 51.468 0.099 . . . . . . 64 L CA . 15485 1
427 . 1 1 64 64 LEU CB C 13 38.231 0.193 . . . . . . 64 L CB . 15485 1
428 . 1 1 64 64 LEU CD1 C 13 23.345 0.161 . . . . . . 64 L CD1 . 15485 1
429 . 1 1 64 64 LEU CD2 C 13 23.593 0.088 . . . . . . 64 L CD2 . 15485 1
430 . 1 1 64 64 LEU CG C 13 25.876 0.043 . . . . . . 64 L CG . 15485 1
431 . 1 1 64 64 LEU N N 15 126.205 0.017 . . . . . . 64 L N . 15485 1
432 . 1 1 65 65 ASN H H 1 7.578 0.001 . . . . . . 65 N HN . 15485 1
433 . 1 1 65 65 ASN HB2 H 1 2.680 0.004 . . . . . . 65 N HB2 . 15485 1
434 . 1 1 65 65 ASN HB3 H 1 2.804 0.005 . . . . . . 65 N HB3 . 15485 1
435 . 1 1 65 65 ASN HD21 H 1 6.861 0.006 . . . . . . 65 N HD21 . 15485 1
436 . 1 1 65 65 ASN HD22 H 1 7.574 0.005 . . . . . . 65 N HD22 . 15485 1
437 . 1 1 65 65 ASN CB C 13 34.730 0.075 . . . . . . 65 N CB . 15485 1
438 . 1 1 65 65 ASN N N 15 111.712 0.023 . . . . . . 65 N N . 15485 1
439 . 1 1 65 65 ASN ND2 N 15 106.221 0.043 . . . . . . 65 N ND2 . 15485 1
440 . 1 1 66 66 GLY H H 1 8.704 0.003 . . . . . . 66 G HN . 15485 1
441 . 1 1 66 66 GLY HA2 H 1 4.163 0.008 . . . . . . 66 G HA1 . 15485 1
442 . 1 1 66 66 GLY HA3 H 1 4.363 0.003 . . . . . . 66 G HA2 . 15485 1
443 . 1 1 66 66 GLY CA C 13 43.248 0.159 . . . . . . 66 G CA . 15485 1
444 . 1 1 66 66 GLY N N 15 105.396 0.009 . . . . . . 66 G N . 15485 1
445 . 1 1 67 67 PHE H H 1 7.333 0.003 . . . . . . 67 F HN . 15485 1
446 . 1 1 67 67 PHE HA H 1 5.195 0.007 . . . . . . 67 F HA . 15485 1
447 . 1 1 67 67 PHE HB2 H 1 2.844 0.009 . . . . . . 67 F HB2 . 15485 1
448 . 1 1 67 67 PHE HB3 H 1 3.066 0.011 . . . . . . 67 F HB3 . 15485 1
449 . 1 1 67 67 PHE HD1 H 1 6.762 0.006 . . . . . . 67 F QD . 15485 1
450 . 1 1 67 67 PHE HD2 H 1 6.762 0.006 . . . . . . 67 F QD . 15485 1
451 . 1 1 67 67 PHE HE1 H 1 6.676 0.004 . . . . . . 67 F QE . 15485 1
452 . 1 1 67 67 PHE HE2 H 1 6.676 0.004 . . . . . . 67 F QE . 15485 1
453 . 1 1 67 67 PHE HZ H 1 6.730 0.002 . . . . . . 67 F HZ . 15485 1
454 . 1 1 67 67 PHE CA C 13 53.138 0.205 . . . . . . 67 F CA . 15485 1
455 . 1 1 67 67 PHE CB C 13 39.426 0.205 . . . . . . 67 F CB . 15485 1
456 . 1 1 67 67 PHE CD1 C 13 126.897 0.000 . . . . . . 67 F CD1 . 15485 1
457 . 1 1 67 67 PHE CE1 C 13 126.706 0.000 . . . . . . 67 F CE1 . 15485 1
458 . 1 1 67 67 PHE CZ C 13 124.624 0.000 . . . . . . 67 F CZ . 15485 1
459 . 1 1 67 67 PHE N N 15 110.403 0.009 . . . . . . 67 F N . 15485 1
460 . 1 1 68 68 ALA H H 1 9.350 0.224 . . . . . . 68 A HN . 15485 1
461 . 1 1 68 68 ALA HA H 1 5.111 0.004 . . . . . . 68 A HA . 15485 1
462 . 1 1 68 68 ALA HB1 H 1 0.958 0.003 . . . . . . 68 A QB . 15485 1
463 . 1 1 68 68 ALA HB2 H 1 0.958 0.003 . . . . . . 68 A QB . 15485 1
464 . 1 1 68 68 ALA HB3 H 1 0.958 0.003 . . . . . . 68 A QB . 15485 1
465 . 1 1 68 68 ALA CA C 13 48.404 0.158 . . . . . . 68 A CA . 15485 1
466 . 1 1 68 68 ALA CB C 13 22.593 0.074 . . . . . . 68 A CB . 15485 1
467 . 1 1 68 68 ALA N N 15 114.617 0.034 . . . . . . 68 A N . 15485 1
468 . 1 1 69 69 PHE H H 1 8.841 0.001 . . . . . . 69 F HN . 15485 1
469 . 1 1 69 69 PHE HA H 1 5.905 0.004 . . . . . . 69 F HA . 15485 1
470 . 1 1 69 69 PHE HB2 H 1 2.684 0.005 . . . . . . 69 F HB2 . 15485 1
471 . 1 1 69 69 PHE HB3 H 1 2.853 0.007 . . . . . . 69 F HB3 . 15485 1
472 . 1 1 69 69 PHE HD1 H 1 7.244 0.005 . . . . . . 69 F QD . 15485 1
473 . 1 1 69 69 PHE HD2 H 1 7.244 0.005 . . . . . . 69 F QD . 15485 1
474 . 1 1 69 69 PHE HE1 H 1 7.456 0.003 . . . . . . 69 F QE . 15485 1
475 . 1 1 69 69 PHE HE2 H 1 7.456 0.003 . . . . . . 69 F QE . 15485 1
476 . 1 1 69 69 PHE HZ H 1 7.276 0.003 . . . . . . 69 F HZ . 15485 1
477 . 1 1 69 69 PHE CA C 13 54.331 0.154 . . . . . . 69 F CA . 15485 1
478 . 1 1 69 69 PHE CB C 13 40.388 0.121 . . . . . . 69 F CB . 15485 1
479 . 1 1 69 69 PHE CD1 C 13 127.521 0.000 . . . . . . 69 F CD1 . 15485 1
480 . 1 1 69 69 PHE CE1 C 13 127.581 0.000 . . . . . . 69 F CE1 . 15485 1
481 . 1 1 69 69 PHE CZ C 13 125.260 0.000 . . . . . . 69 F CZ . 15485 1
482 . 1 1 69 69 PHE N N 15 109.608 0.024 . . . . . . 69 F N . 15485 1
483 . 1 1 70 70 VAL H H 1 8.541 0.001 . . . . . . 70 V HN . 15485 1
484 . 1 1 70 70 VAL HA H 1 4.331 0.006 . . . . . . 70 V HA . 15485 1
485 . 1 1 70 70 VAL HB H 1 1.247 0.004 . . . . . . 70 V HB . 15485 1
486 . 1 1 70 70 VAL HG11 H 1 0.038 0.005 . . . . . . 70 V QG1 . 15485 1
487 . 1 1 70 70 VAL HG12 H 1 0.038 0.005 . . . . . . 70 V QG1 . 15485 1
488 . 1 1 70 70 VAL HG13 H 1 0.038 0.005 . . . . . . 70 V QG1 . 15485 1
489 . 1 1 70 70 VAL HG21 H 1 0.140 0.008 . . . . . . 70 V QG2 . 15485 1
490 . 1 1 70 70 VAL HG22 H 1 0.140 0.008 . . . . . . 70 V QG2 . 15485 1
491 . 1 1 70 70 VAL HG23 H 1 0.140 0.008 . . . . . . 70 V QG2 . 15485 1
492 . 1 1 70 70 VAL CA C 13 58.608 0.220 . . . . . . 70 V CA . 15485 1
493 . 1 1 70 70 VAL CB C 13 33.141 0.127 . . . . . . 70 V CB . 15485 1
494 . 1 1 70 70 VAL CG1 C 13 18.687 0.101 . . . . . . 70 V CG1 . 15485 1
495 . 1 1 70 70 VAL CG2 C 13 17.755 0.046 . . . . . . 70 V CG2 . 15485 1
496 . 1 1 70 70 VAL N N 15 114.701 0.003 . . . . . . 70 V N . 15485 1
497 . 1 1 71 71 GLU H H 1 9.004 0.004 . . . . . . 71 E HN . 15485 1
498 . 1 1 71 71 GLU HA H 1 5.377 0.005 . . . . . . 71 E HA . 15485 1
499 . 1 1 71 71 GLU HB2 H 1 1.733 0.007 . . . . . . 71 E HB2 . 15485 1
500 . 1 1 71 71 GLU HB3 H 1 1.880 0.003 . . . . . . 71 E HB3 . 15485 1
501 . 1 1 71 71 GLU HG2 H 1 2.049 0.004 . . . . . . 71 E QG . 15485 1
502 . 1 1 71 71 GLU HG3 H 1 2.049 0.004 . . . . . . 71 E QG . 15485 1
503 . 1 1 71 71 GLU CA C 13 52.059 0.187 . . . . . . 71 E CA . 15485 1
504 . 1 1 71 71 GLU CB C 13 30.469 0.167 . . . . . . 71 E CB . 15485 1
505 . 1 1 71 71 GLU CG C 13 34.663 0.032 . . . . . . 71 E CG . 15485 1
506 . 1 1 71 71 GLU N N 15 120.504 0.011 . . . . . . 71 E N . 15485 1
507 . 1 1 72 72 PHE H H 1 8.562 0.002 . . . . . . 72 F HN . 15485 1
508 . 1 1 72 72 PHE HA H 1 4.488 0.002 . . . . . . 72 F HA . 15485 1
509 . 1 1 72 72 PHE HB2 H 1 2.681 0.006 . . . . . . 72 F HB2 . 15485 1
510 . 1 1 72 72 PHE HB3 H 1 3.757 0.006 . . . . . . 72 F HB3 . 15485 1
511 . 1 1 72 72 PHE HD1 H 1 7.083 0.002 . . . . . . 72 F QD . 15485 1
512 . 1 1 72 72 PHE HD2 H 1 7.083 0.002 . . . . . . 72 F QD . 15485 1
513 . 1 1 72 72 PHE HE1 H 1 6.731 0.002 . . . . . . 72 F QE . 15485 1
514 . 1 1 72 72 PHE HE2 H 1 6.731 0.002 . . . . . . 72 F QE . 15485 1
515 . 1 1 72 72 PHE CB C 13 39.652 0.199 . . . . . . 72 F CB . 15485 1
516 . 1 1 72 72 PHE CD1 C 13 129.632 0.000 . . . . . . 72 F CD1 . 15485 1
517 . 1 1 72 72 PHE CE1 C 13 126.810 0.000 . . . . . . 72 F CE1 . 15485 1
518 . 1 1 72 72 PHE N N 15 121.104 0.012 . . . . . . 72 F N . 15485 1
519 . 1 1 73 73 GLU H H 1 8.125 0.004 . . . . . . 73 E HN . 15485 1
520 . 1 1 73 73 GLU HA H 1 4.080 0.004 . . . . . . 73 E HA . 15485 1
521 . 1 1 73 73 GLU HB2 H 1 1.929 0.003 . . . . . . 73 E HB2 . 15485 1
522 . 1 1 73 73 GLU HB3 H 1 2.188 0.015 . . . . . . 73 E HB3 . 15485 1
523 . 1 1 73 73 GLU HG2 H 1 2.032 0.002 . . . . . . 73 E HG2 . 15485 1
524 . 1 1 73 73 GLU HG3 H 1 2.138 0.010 . . . . . . 73 E HG3 . 15485 1
525 . 1 1 73 73 GLU CA C 13 57.740 0.210 . . . . . . 73 E CA . 15485 1
526 . 1 1 73 73 GLU CB C 13 28.458 0.093 . . . . . . 73 E CB . 15485 1
527 . 1 1 73 73 GLU CG C 13 34.444 0.031 . . . . . . 73 E CG . 15485 1
528 . 1 1 73 73 GLU N N 15 111.707 0.020 . . . . . . 73 E N . 15485 1
529 . 1 1 74 74 GLU H H 1 8.581 0.006 . . . . . . 74 E HN . 15485 1
530 . 1 1 74 74 GLU HB2 H 1 1.902 0.011 . . . . . . 74 E HB2 . 15485 1
531 . 1 1 74 74 GLU HB3 H 1 2.209 0.014 . . . . . . 74 E HB3 . 15485 1
532 . 1 1 74 74 GLU HG2 H 1 2.033 0.001 . . . . . . 74 E HG2 . 15485 1
533 . 1 1 74 74 GLU HG3 H 1 2.167 0.001 . . . . . . 74 E HG3 . 15485 1
534 . 1 1 74 74 GLU CB C 13 29.604 0.013 . . . . . . 74 E CB . 15485 1
535 . 1 1 74 74 GLU CG C 13 34.663 0.032 . . . . . . 74 E CG . 15485 1
536 . 1 1 74 74 GLU N N 15 108.602 0.004 . . . . . . 74 E N . 15485 1
537 . 1 1 75 75 ALA H H 1 8.918 0.002 . . . . . . 75 A HN . 15485 1
538 . 1 1 75 75 ALA HA H 1 4.162 0.003 . . . . . . 75 A HA . 15485 1
539 . 1 1 75 75 ALA HB1 H 1 1.384 0.004 . . . . . . 75 A QB . 15485 1
540 . 1 1 75 75 ALA HB2 H 1 1.384 0.004 . . . . . . 75 A QB . 15485 1
541 . 1 1 75 75 ALA HB3 H 1 1.384 0.004 . . . . . . 75 A QB . 15485 1
542 . 1 1 75 75 ALA CA C 13 52.937 0.078 . . . . . . 75 A CA . 15485 1
543 . 1 1 75 75 ALA CB C 13 16.415 0.070 . . . . . . 75 A CB . 15485 1
544 . 1 1 75 75 ALA N N 15 120.993 0.014 . . . . . . 75 A N . 15485 1
545 . 1 1 76 76 GLU H H 1 9.423 0.028 . . . . . . 76 E HN . 15485 1
546 . 1 1 76 76 GLU HA H 1 4.061 0.006 . . . . . . 76 E HA . 15485 1
547 . 1 1 76 76 GLU HB2 H 1 1.994 0.005 . . . . . . 76 E HB2 . 15485 1
548 . 1 1 76 76 GLU HB3 H 1 2.125 0.004 . . . . . . 76 E HB3 . 15485 1
549 . 1 1 76 76 GLU HG2 H 1 2.324 0.011 . . . . . . 76 E HG2 . 15485 1
550 . 1 1 76 76 GLU HG3 H 1 2.377 0.002 . . . . . . 76 E HG3 . 15485 1
551 . 1 1 76 76 GLU CA C 13 58.306 0.193 . . . . . . 76 E CA . 15485 1
552 . 1 1 76 76 GLU CB C 13 27.115 0.120 . . . . . . 76 E CB . 15485 1
553 . 1 1 76 76 GLU CG C 13 34.698 0.107 . . . . . . 76 E CG . 15485 1
554 . 1 1 76 76 GLU N N 15 112.905 0.011 . . . . . . 76 E N . 15485 1
555 . 1 1 77 77 SER H H 1 7.095 0.004 . . . . . . 77 S HN . 15485 1
556 . 1 1 77 77 SER HA H 1 4.012 0.004 . . . . . . 77 S HA . 15485 1
557 . 1 1 77 77 SER HB2 H 1 2.849 0.005 . . . . . . 77 S HB2 . 15485 1
558 . 1 1 77 77 SER HB3 H 1 3.626 0.004 . . . . . . 77 S HB3 . 15485 1
559 . 1 1 77 77 SER CA C 13 59.371 0.000 . . . . . . 77 S CA . 15485 1
560 . 1 1 77 77 SER CB C 13 61.157 0.195 . . . . . . 77 S CB . 15485 1
561 . 1 1 77 77 SER N N 15 108.304 0.010 . . . . . . 77 S N . 15485 1
562 . 1 1 78 78 ALA H H 1 6.689 0.004 . . . . . . 78 A HN . 15485 1
563 . 1 1 78 78 ALA HA H 1 4.161 0.007 . . . . . . 78 A HA . 15485 1
564 . 1 1 78 78 ALA HB1 H 1 1.659 0.005 . . . . . . 78 A QB . 15485 1
565 . 1 1 78 78 ALA HB2 H 1 1.659 0.005 . . . . . . 78 A QB . 15485 1
566 . 1 1 78 78 ALA HB3 H 1 1.659 0.005 . . . . . . 78 A QB . 15485 1
567 . 1 1 78 78 ALA CA C 13 52.686 0.085 . . . . . . 78 A CA . 15485 1
568 . 1 1 78 78 ALA CB C 13 16.006 0.040 . . . . . . 78 A CB . 15485 1
569 . 1 1 78 78 ALA N N 15 115.607 0.015 . . . . . . 78 A N . 15485 1
570 . 1 1 79 79 ALA H H 1 7.733 0.005 . . . . . . 79 A HN . 15485 1
571 . 1 1 79 79 ALA HA H 1 4.013 0.003 . . . . . . 79 A HA . 15485 1
572 . 1 1 79 79 ALA HB1 H 1 1.461 0.006 . . . . . . 79 A QB . 15485 1
573 . 1 1 79 79 ALA HB2 H 1 1.461 0.006 . . . . . . 79 A QB . 15485 1
574 . 1 1 79 79 ALA HB3 H 1 1.461 0.006 . . . . . . 79 A QB . 15485 1
575 . 1 1 79 79 ALA CA C 13 53.011 0.222 . . . . . . 79 A CA . 15485 1
576 . 1 1 79 79 ALA CB C 13 16.041 0.115 . . . . . . 79 A CB . 15485 1
577 . 1 1 79 79 ALA N N 15 111.710 0.024 . . . . . . 79 A N . 15485 1
578 . 1 1 80 80 LYS H H 1 7.561 0.003 . . . . . . 80 K HN . 15485 1
579 . 1 1 80 80 LYS HA H 1 3.991 0.006 . . . . . . 80 K HA . 15485 1
580 . 1 1 80 80 LYS HB2 H 1 1.920 0.004 . . . . . . 80 K QB . 15485 1
581 . 1 1 80 80 LYS HB3 H 1 1.920 0.004 . . . . . . 80 K QB . 15485 1
582 . 1 1 80 80 LYS HD2 H 1 1.811 0.004 . . . . . . 80 K QD . 15485 1
583 . 1 1 80 80 LYS HD3 H 1 1.811 0.004 . . . . . . 80 K QD . 15485 1
584 . 1 1 80 80 LYS HE2 H 1 3.009 0.009 . . . . . . 80 K QE . 15485 1
585 . 1 1 80 80 LYS HE3 H 1 3.009 0.009 . . . . . . 80 K QE . 15485 1
586 . 1 1 80 80 LYS HG2 H 1 1.627 0.004 . . . . . . 80 K QG . 15485 1
587 . 1 1 80 80 LYS HG3 H 1 1.627 0.004 . . . . . . 80 K QG . 15485 1
588 . 1 1 80 80 LYS CA C 13 56.385 0.249 . . . . . . 80 K CA . 15485 1
589 . 1 1 80 80 LYS CB C 13 30.195 0.112 . . . . . . 80 K CB . 15485 1
590 . 1 1 80 80 LYS CD C 13 26.886 0.130 . . . . . . 80 K CD . 15485 1
591 . 1 1 80 80 LYS CE C 13 40.018 0.161 . . . . . . 80 K CE . 15485 1
592 . 1 1 80 80 LYS CG C 13 23.046 0.021 . . . . . . 80 K CG . 15485 1
593 . 1 1 80 80 LYS N N 15 113.202 0.006 . . . . . . 80 K N . 15485 1
594 . 1 1 81 81 ALA H H 1 7.623 0.004 . . . . . . 81 A HN . 15485 1
595 . 1 1 81 81 ALA HA H 1 3.652 0.005 . . . . . . 81 A HA . 15485 1
596 . 1 1 81 81 ALA HB1 H 1 1.169 0.004 . . . . . . 81 A QB . 15485 1
597 . 1 1 81 81 ALA HB2 H 1 1.169 0.004 . . . . . . 81 A QB . 15485 1
598 . 1 1 81 81 ALA HB3 H 1 1.169 0.004 . . . . . . 81 A QB . 15485 1
599 . 1 1 81 81 ALA CA C 13 52.778 0.017 . . . . . . 81 A CA . 15485 1
600 . 1 1 81 81 ALA CB C 13 16.614 0.090 . . . . . . 81 A CB . 15485 1
601 . 1 1 81 81 ALA N N 15 115.199 0.001 . . . . . . 81 A N . 15485 1
602 . 1 1 82 82 ILE H H 1 7.663 0.007 . . . . . . 82 I HN . 15485 1
603 . 1 1 82 82 ILE HA H 1 3.316 0.004 . . . . . . 82 I HA . 15485 1
604 . 1 1 82 82 ILE HB H 1 1.542 0.004 . . . . . . 82 I HB . 15485 1
605 . 1 1 82 82 ILE HD11 H 1 0.750 0.007 . . . . . . 82 I QD1 . 15485 1
606 . 1 1 82 82 ILE HD12 H 1 0.750 0.007 . . . . . . 82 I QD1 . 15485 1
607 . 1 1 82 82 ILE HD13 H 1 0.750 0.007 . . . . . . 82 I QD1 . 15485 1
608 . 1 1 82 82 ILE HG12 H 1 0.485 0.004 . . . . . . 82 I HG12 . 15485 1
609 . 1 1 82 82 ILE HG13 H 1 1.360 0.005 . . . . . . 82 I HG13 . 15485 1
610 . 1 1 82 82 ILE HG21 H 1 1.172 0.005 . . . . . . 82 I QG2 . 15485 1
611 . 1 1 82 82 ILE HG22 H 1 1.172 0.005 . . . . . . 82 I QG2 . 15485 1
612 . 1 1 82 82 ILE HG23 H 1 1.172 0.005 . . . . . . 82 I QG2 . 15485 1
613 . 1 1 82 82 ILE CA C 13 64.510 0.242 . . . . . . 82 I CA . 15485 1
614 . 1 1 82 82 ILE CB C 13 36.428 0.131 . . . . . . 82 I CB . 15485 1
615 . 1 1 82 82 ILE CD1 C 13 14.841 0.001 . . . . . . 82 I CD1 . 15485 1
616 . 1 1 82 82 ILE CG1 C 13 27.467 0.097 . . . . . . 82 I CG1 . 15485 1
617 . 1 1 82 82 ILE CG2 C 13 16.823 0.010 . . . . . . 82 I CG2 . 15485 1
618 . 1 1 82 82 ILE N N 15 111.482 0.003 . . . . . . 82 I N . 15485 1
619 . 1 1 83 83 GLU H H 1 7.172 0.006 . . . . . . 83 E HN . 15485 1
620 . 1 1 83 83 GLU HA H 1 3.915 0.007 . . . . . . 83 E HA . 15485 1
621 . 1 1 83 83 GLU HB2 H 1 2.132 0.004 . . . . . . 83 E QB . 15485 1
622 . 1 1 83 83 GLU HB3 H 1 2.132 0.004 . . . . . . 83 E QB . 15485 1
623 . 1 1 83 83 GLU HG2 H 1 2.239 0.011 . . . . . . 83 E HG2 . 15485 1
624 . 1 1 83 83 GLU HG3 H 1 2.366 0.004 . . . . . . 83 E HG3 . 15485 1
625 . 1 1 83 83 GLU CA C 13 57.286 0.226 . . . . . . 83 E CA . 15485 1
626 . 1 1 83 83 GLU CB C 13 27.898 0.106 . . . . . . 83 E CB . 15485 1
627 . 1 1 83 83 GLU CG C 13 34.200 0.056 . . . . . . 83 E CG . 15485 1
628 . 1 1 83 83 GLU N N 15 111.104 0.010 . . . . . . 83 E N . 15485 1
629 . 1 1 84 84 GLU H H 1 7.914 0.004 . . . . . . 84 E HN . 15485 1
630 . 1 1 84 84 GLU HA H 1 4.404 0.006 . . . . . . 84 E HA . 15485 1
631 . 1 1 84 84 GLU HB2 H 1 1.916 0.003 . . . . . . 84 E HB2 . 15485 1
632 . 1 1 84 84 GLU HB3 H 1 2.205 0.009 . . . . . . 84 E HB3 . 15485 1
633 . 1 1 84 84 GLU HG2 H 1 2.324 0.002 . . . . . . 84 E HG2 . 15485 1
634 . 1 1 84 84 GLU HG3 H 1 2.430 0.007 . . . . . . 84 E HG3 . 15485 1
635 . 1 1 84 84 GLU CA C 13 55.790 0.186 . . . . . . 84 E CA . 15485 1
636 . 1 1 84 84 GLU CB C 13 29.467 0.072 . . . . . . 84 E CB . 15485 1
637 . 1 1 84 84 GLU CG C 13 34.848 0.066 . . . . . . 84 E CG . 15485 1
638 . 1 1 84 84 GLU N N 15 108.503 0.009 . . . . . . 84 E N . 15485 1
639 . 1 1 85 85 VAL H H 1 8.591 0.003 . . . . . . 85 V HN . 15485 1
640 . 1 1 85 85 VAL HA H 1 3.943 0.008 . . . . . . 85 V HA . 15485 1
641 . 1 1 85 85 VAL HB H 1 1.980 0.003 . . . . . . 85 V HB . 15485 1
642 . 1 1 85 85 VAL HG11 H 1 0.789 0.005 . . . . . . 85 V QG1 . 15485 1
643 . 1 1 85 85 VAL HG12 H 1 0.789 0.005 . . . . . . 85 V QG1 . 15485 1
644 . 1 1 85 85 VAL HG13 H 1 0.789 0.005 . . . . . . 85 V QG1 . 15485 1
645 . 1 1 85 85 VAL HG21 H 1 0.983 0.006 . . . . . . 85 V QG2 . 15485 1
646 . 1 1 85 85 VAL HG22 H 1 0.983 0.006 . . . . . . 85 V QG2 . 15485 1
647 . 1 1 85 85 VAL HG23 H 1 0.983 0.006 . . . . . . 85 V QG2 . 15485 1
648 . 1 1 85 85 VAL CA C 13 61.364 0.183 . . . . . . 85 V CA . 15485 1
649 . 1 1 85 85 VAL CB C 13 30.230 0.032 . . . . . . 85 V CB . 15485 1
650 . 1 1 85 85 VAL CG1 C 13 21.691 0.060 . . . . . . 85 V CG1 . 15485 1
651 . 1 1 85 85 VAL CG2 C 13 18.956 0.052 . . . . . . 85 V CG2 . 15485 1
652 . 1 1 85 85 VAL N N 15 112.305 0.012 . . . . . . 85 V N . 15485 1
653 . 1 1 86 86 HIS H H 1 7.508 0.002 . . . . . . 86 H HN . 15485 1
654 . 1 1 86 86 HIS HA H 1 4.118 0.007 . . . . . . 86 H HA . 15485 1
655 . 1 1 86 86 HIS HB2 H 1 3.207 0.006 . . . . . . 86 H HB2 . 15485 1
656 . 1 1 86 86 HIS HB3 H 1 3.244 0.004 . . . . . . 86 H HB3 . 15485 1
657 . 1 1 86 86 HIS HD2 H 1 6.899 0.002 . . . . . . 86 H HD2 . 15485 1
658 . 1 1 86 86 HIS HE1 H 1 7.688 0.001 . . . . . . 86 H HE1 . 15485 1
659 . 1 1 86 86 HIS CA C 13 58.602 0.199 . . . . . . 86 H CA . 15485 1
660 . 1 1 86 86 HIS CB C 13 29.577 0.072 . . . . . . 86 H CB . 15485 1
661 . 1 1 86 86 HIS CD2 C 13 113.487 0.000 . . . . . . 86 H CD2 . 15485 1
662 . 1 1 86 86 HIS CE1 C 13 134.171 0.000 . . . . . . 86 H CE1 . 15485 1
663 . 1 1 86 86 HIS N N 15 112.314 0.032 . . . . . . 86 H N . 15485 1
664 . 1 1 87 87 GLY H H 1 8.800 0.006 . . . . . . 87 G HN . 15485 1
665 . 1 1 87 87 GLY HA2 H 1 3.268 0.005 . . . . . . 87 G HA1 . 15485 1
666 . 1 1 87 87 GLY HA3 H 1 4.118 0.005 . . . . . . 87 G HA2 . 15485 1
667 . 1 1 87 87 GLY CA C 13 43.093 0.158 . . . . . . 87 G CA . 15485 1
668 . 1 1 87 87 GLY N N 15 111.201 0.003 . . . . . . 87 G N . 15485 1
669 . 1 1 88 88 LYS H H 1 8.340 0.001 . . . . . . 88 K HN . 15485 1
670 . 1 1 88 88 LYS HA H 1 4.234 0.002 . . . . . . 88 K HA . 15485 1
671 . 1 1 88 88 LYS HB2 H 1 1.850 0.008 . . . . . . 88 K HB2 . 15485 1
672 . 1 1 88 88 LYS HB3 H 1 2.036 0.009 . . . . . . 88 K HB3 . 15485 1
673 . 1 1 88 88 LYS HD2 H 1 1.689 0.009 . . . . . . 88 K QD . 15485 1
674 . 1 1 88 88 LYS HD3 H 1 1.689 0.009 . . . . . . 88 K QD . 15485 1
675 . 1 1 88 88 LYS HE2 H 1 3.086 0.006 . . . . . . 88 K QE . 15485 1
676 . 1 1 88 88 LYS HE3 H 1 3.086 0.006 . . . . . . 88 K QE . 15485 1
677 . 1 1 88 88 LYS HG2 H 1 1.380 0.010 . . . . . . 88 K HG2 . 15485 1
678 . 1 1 88 88 LYS HG3 H 1 1.631 0.010 . . . . . . 88 K HG3 . 15485 1
679 . 1 1 88 88 LYS CA C 13 54.026 0.195 . . . . . . 88 K CA . 15485 1
680 . 1 1 88 88 LYS CB C 13 31.044 0.079 . . . . . . 88 K CB . 15485 1
681 . 1 1 88 88 LYS CD C 13 26.752 0.064 . . . . . . 88 K CD . 15485 1
682 . 1 1 88 88 LYS CE C 13 40.263 0.026 . . . . . . 88 K CE . 15485 1
683 . 1 1 88 88 LYS CG C 13 23.255 0.141 . . . . . . 88 K CG . 15485 1
684 . 1 1 88 88 LYS N N 15 116.909 0.026 . . . . . . 88 K N . 15485 1
685 . 1 1 89 89 SER H H 1 8.386 0.003 . . . . . . 89 S HN . 15485 1
686 . 1 1 89 89 SER HA H 1 4.229 0.006 . . . . . . 89 S HA . 15485 1
687 . 1 1 89 89 SER HB2 H 1 3.514 0.007 . . . . . . 89 S HB2 . 15485 1
688 . 1 1 89 89 SER HB3 H 1 3.601 0.006 . . . . . . 89 S HB3 . 15485 1
689 . 1 1 89 89 SER CA C 13 54.366 0.145 . . . . . . 89 S CA . 15485 1
690 . 1 1 89 89 SER CB C 13 62.482 0.185 . . . . . . 89 S CB . 15485 1
691 . 1 1 89 89 SER N N 15 110.736 0.073 . . . . . . 89 S N . 15485 1
692 . 1 1 90 90 PHE H H 1 9.042 0.006 . . . . . . 90 F HN . 15485 1
693 . 1 1 90 90 PHE HA H 1 4.454 0.011 . . . . . . 90 F HA . 15485 1
694 . 1 1 90 90 PHE HB2 H 1 2.814 0.005 . . . . . . 90 F HB2 . 15485 1
695 . 1 1 90 90 PHE HB3 H 1 2.913 0.004 . . . . . . 90 F HB3 . 15485 1
696 . 1 1 90 90 PHE HD1 H 1 7.363 0.003 . . . . . . 90 F QD . 15485 1
697 . 1 1 90 90 PHE HD2 H 1 7.363 0.003 . . . . . . 90 F QD . 15485 1
698 . 1 1 90 90 PHE HE1 H 1 6.779 0.003 . . . . . . 90 F QE . 15485 1
699 . 1 1 90 90 PHE HE2 H 1 6.779 0.003 . . . . . . 90 F QE . 15485 1
700 . 1 1 90 90 PHE HZ H 1 7.282 0.004 . . . . . . 90 F HZ . 15485 1
701 . 1 1 90 90 PHE CA C 13 56.457 0.177 . . . . . . 90 F CA . 15485 1
702 . 1 1 90 90 PHE CB C 13 40.432 0.138 . . . . . . 90 F CB . 15485 1
703 . 1 1 90 90 PHE CD1 C 13 128.304 0.000 . . . . . . 90 F CD1 . 15485 1
704 . 1 1 90 90 PHE CE1 C 13 128.113 0.000 . . . . . . 90 F CE1 . 15485 1
705 . 1 1 90 90 PHE CZ C 13 125.442 0.000 . . . . . . 90 F CZ . 15485 1
706 . 1 1 90 90 PHE N N 15 120.210 0.022 . . . . . . 90 F N . 15485 1
707 . 1 1 91 91 ALA HA H 1 3.721 0.007 . . . . . . 91 A HA . 15485 1
708 . 1 1 91 91 ALA HB1 H 1 1.248 0.008 . . . . . . 91 A QB . 15485 1
709 . 1 1 91 91 ALA HB2 H 1 1.248 0.008 . . . . . . 91 A QB . 15485 1
710 . 1 1 91 91 ALA HB3 H 1 1.248 0.008 . . . . . . 91 A QB . 15485 1
711 . 1 1 91 91 ALA CA C 13 51.332 0.146 . . . . . . 91 A CA . 15485 1
712 . 1 1 91 91 ALA CB C 13 14.248 0.043 . . . . . . 91 A CB . 15485 1
713 . 1 1 92 92 ASN H H 1 8.473 0.005 . . . . . . 92 N HN . 15485 1
714 . 1 1 92 92 ASN HA H 1 4.046 0.003 . . . . . . 92 N HA . 15485 1
715 . 1 1 92 92 ASN HB2 H 1 2.907 0.004 . . . . . . 92 N HB2 . 15485 1
716 . 1 1 92 92 ASN HB3 H 1 3.032 0.010 . . . . . . 92 N HB3 . 15485 1
717 . 1 1 92 92 ASN HD21 H 1 6.796 0.004 . . . . . . 92 N HD21 . 15485 1
718 . 1 1 92 92 ASN HD22 H 1 7.438 0.005 . . . . . . 92 N HD22 . 15485 1
719 . 1 1 92 92 ASN CA C 13 52.762 0.142 . . . . . . 92 N CA . 15485 1
720 . 1 1 92 92 ASN CB C 13 35.931 0.080 . . . . . . 92 N CB . 15485 1
721 . 1 1 92 92 ASN N N 15 101.712 0.033 . . . . . . 92 N N . 15485 1
722 . 1 1 92 92 ASN ND2 N 15 107.288 0.022 . . . . . . 92 N ND2 . 15485 1
723 . 1 1 93 93 GLN H H 1 7.687 0.003 . . . . . . 93 Q HN . 15485 1
724 . 1 1 93 93 GLN HA H 1 4.884 0.004 . . . . . . 93 Q HA . 15485 1
725 . 1 1 93 93 GLN HB2 H 1 1.864 0.002 . . . . . . 93 Q HB2 . 15485 1
726 . 1 1 93 93 GLN HB3 H 1 1.912 0.009 . . . . . . 93 Q HB3 . 15485 1
727 . 1 1 93 93 GLN HE21 H 1 6.782 0.001 . . . . . . 93 Q HE21 . 15485 1
728 . 1 1 93 93 GLN HE22 H 1 7.568 0.002 . . . . . . 93 Q HE22 . 15485 1
729 . 1 1 93 93 GLN HG2 H 1 2.265 0.005 . . . . . . 93 Q HG2 . 15485 1
730 . 1 1 93 93 GLN HG3 H 1 2.314 0.018 . . . . . . 93 Q HG3 . 15485 1
731 . 1 1 93 93 GLN CA C 13 50.724 0.096 . . . . . . 93 Q CA . 15485 1
732 . 1 1 93 93 GLN CB C 13 29.134 0.076 . . . . . . 93 Q CB . 15485 1
733 . 1 1 93 93 GLN CG C 13 31.475 0.132 . . . . . . 93 Q CG . 15485 1
734 . 1 1 93 93 GLN N N 15 112.002 0.005 . . . . . . 93 Q N . 15485 1
735 . 1 1 93 93 GLN NE2 N 15 106.176 0.058 . . . . . . 93 Q NE2 . 15485 1
736 . 1 1 94 94 PRO HA H 1 4.172 0.007 . . . . . . 94 P HA . 15485 1
737 . 1 1 94 94 PRO HB2 H 1 1.704 0.004 . . . . . . 94 P HB2 . 15485 1
738 . 1 1 94 94 PRO HB3 H 1 1.909 0.009 . . . . . . 94 P HB3 . 15485 1
739 . 1 1 94 94 PRO HD2 H 1 3.566 0.003 . . . . . . 94 P QD . 15485 1
740 . 1 1 94 94 PRO HD3 H 1 3.566 0.003 . . . . . . 94 P QD . 15485 1
741 . 1 1 94 94 PRO HG2 H 1 2.053 0.012 . . . . . . 94 P HG2 . 15485 1
742 . 1 1 94 94 PRO HG3 H 1 2.393 0.004 . . . . . . 94 P HG3 . 15485 1
743 . 1 1 94 94 PRO CA C 13 60.001 0.093 . . . . . . 94 P CA . 15485 1
744 . 1 1 94 94 PRO CB C 13 29.435 0.050 . . . . . . 94 P CB . 15485 1
745 . 1 1 94 94 PRO CD C 13 47.994 0.000 . . . . . . 94 P CD . 15485 1
746 . 1 1 94 94 PRO CG C 13 27.369 0.051 . . . . . . 94 P CG . 15485 1
747 . 1 1 95 95 LEU H H 1 8.615 0.004 . . . . . . 95 L HN . 15485 1
748 . 1 1 95 95 LEU HA H 1 4.430 0.005 . . . . . . 95 L HA . 15485 1
749 . 1 1 95 95 LEU HB2 H 1 0.807 0.006 . . . . . . 95 L HB2 . 15485 1
750 . 1 1 95 95 LEU HB3 H 1 1.890 0.007 . . . . . . 95 L HB3 . 15485 1
751 . 1 1 95 95 LEU HD11 H 1 0.193 0.004 . . . . . . 95 L QD1 . 15485 1
752 . 1 1 95 95 LEU HD12 H 1 0.193 0.004 . . . . . . 95 L QD1 . 15485 1
753 . 1 1 95 95 LEU HD13 H 1 0.193 0.004 . . . . . . 95 L QD1 . 15485 1
754 . 1 1 95 95 LEU HD21 H 1 0.560 0.006 . . . . . . 95 L QD2 . 15485 1
755 . 1 1 95 95 LEU HD22 H 1 0.560 0.006 . . . . . . 95 L QD2 . 15485 1
756 . 1 1 95 95 LEU HD23 H 1 0.560 0.006 . . . . . . 95 L QD2 . 15485 1
757 . 1 1 95 95 LEU HG H 1 1.795 0.005 . . . . . . 95 L HG . 15485 1
758 . 1 1 95 95 LEU CA C 13 52.669 0.178 . . . . . . 95 L CA . 15485 1
759 . 1 1 95 95 LEU CB C 13 41.480 0.184 . . . . . . 95 L CB . 15485 1
760 . 1 1 95 95 LEU CD1 C 13 21.307 0.114 . . . . . . 95 L CD1 . 15485 1
761 . 1 1 95 95 LEU CD2 C 13 23.300 0.096 . . . . . . 95 L CD2 . 15485 1
762 . 1 1 95 95 LEU CG C 13 24.463 0.030 . . . . . . 95 L CG . 15485 1
763 . 1 1 95 95 LEU N N 15 116.901 0.003 . . . . . . 95 L N . 15485 1
764 . 1 1 96 96 GLU H H 1 9.522 0.006 . . . . . . 96 E HN . 15485 1
765 . 1 1 96 96 GLU HA H 1 4.952 0.006 . . . . . . 96 E HA . 15485 1
766 . 1 1 96 96 GLU HB2 H 1 1.927 0.009 . . . . . . 96 E HB2 . 15485 1
767 . 1 1 96 96 GLU HB3 H 1 1.981 0.006 . . . . . . 96 E HB3 . 15485 1
768 . 1 1 96 96 GLU HG2 H 1 2.157 0.008 . . . . . . 96 E HG2 . 15485 1
769 . 1 1 96 96 GLU HG3 H 1 2.241 0.007 . . . . . . 96 E HG3 . 15485 1
770 . 1 1 96 96 GLU CA C 13 52.790 0.244 . . . . . . 96 E CA . 15485 1
771 . 1 1 96 96 GLU CB C 13 29.074 0.136 . . . . . . 96 E CB . 15485 1
772 . 1 1 96 96 GLU CG C 13 34.460 0.125 . . . . . . 96 E CG . 15485 1
773 . 1 1 96 96 GLU N N 15 118.907 0.022 . . . . . . 96 E N . 15485 1
774 . 1 1 97 97 VAL H H 1 11.072 0.003 . . . . . . 97 V HN . 15485 1
775 . 1 1 97 97 VAL HA H 1 4.622 0.004 . . . . . . 97 V HA . 15485 1
776 . 1 1 97 97 VAL HB H 1 2.230 0.006 . . . . . . 97 V HB . 15485 1
777 . 1 1 97 97 VAL HG11 H 1 0.848 0.004 . . . . . . 97 V QG1 . 15485 1
778 . 1 1 97 97 VAL HG12 H 1 0.848 0.004 . . . . . . 97 V QG1 . 15485 1
779 . 1 1 97 97 VAL HG13 H 1 0.848 0.004 . . . . . . 97 V QG1 . 15485 1
780 . 1 1 97 97 VAL HG21 H 1 0.989 0.014 . . . . . . 97 V QG2 . 15485 1
781 . 1 1 97 97 VAL HG22 H 1 0.989 0.014 . . . . . . 97 V QG2 . 15485 1
782 . 1 1 97 97 VAL HG23 H 1 0.989 0.014 . . . . . . 97 V QG2 . 15485 1
783 . 1 1 97 97 VAL CA C 13 59.831 0.102 . . . . . . 97 V CA . 15485 1
784 . 1 1 97 97 VAL CB C 13 31.604 0.129 . . . . . . 97 V CB . 15485 1
785 . 1 1 97 97 VAL CG1 C 13 22.214 0.085 . . . . . . 97 V CG1 . 15485 1
786 . 1 1 97 97 VAL CG2 C 13 18.677 0.111 . . . . . . 97 V CG2 . 15485 1
787 . 1 1 97 97 VAL N N 15 124.608 0.023 . . . . . . 97 V N . 15485 1
788 . 1 1 98 98 VAL H H 1 8.142 0.006 . . . . . . 98 V HN . 15485 1
789 . 1 1 98 98 VAL HB H 1 2.387 0.006 . . . . . . 98 V HB . 15485 1
790 . 1 1 98 98 VAL HG11 H 1 1.004 0.006 . . . . . . 98 V QG1 . 15485 1
791 . 1 1 98 98 VAL HG12 H 1 1.004 0.006 . . . . . . 98 V QG1 . 15485 1
792 . 1 1 98 98 VAL HG13 H 1 1.004 0.006 . . . . . . 98 V QG1 . 15485 1
793 . 1 1 98 98 VAL HG21 H 1 0.885 0.016 . . . . . . 98 V QG2 . 15485 1
794 . 1 1 98 98 VAL HG22 H 1 0.885 0.016 . . . . . . 98 V QG2 . 15485 1
795 . 1 1 98 98 VAL HG23 H 1 0.885 0.016 . . . . . . 98 V QG2 . 15485 1
796 . 1 1 98 98 VAL CB C 13 34.405 0.070 . . . . . . 98 V CB . 15485 1
797 . 1 1 98 98 VAL CG1 C 13 17.202 0.051 . . . . . . 98 V CG1 . 15485 1
798 . 1 1 98 98 VAL CG2 C 13 19.439 0.117 . . . . . . 98 V CG2 . 15485 1
799 . 1 1 98 98 VAL N N 15 110.413 0.029 . . . . . . 98 V N . 15485 1
800 . 1 1 99 99 TYR H H 1 8.172 0.011 . . . . . . 99 Y HN . 15485 1
801 . 1 1 99 99 TYR HA H 1 5.163 0.004 . . . . . . 99 Y HA . 15485 1
802 . 1 1 99 99 TYR HB2 H 1 2.693 0.005 . . . . . . 99 Y HB2 . 15485 1
803 . 1 1 99 99 TYR HB3 H 1 3.479 0.008 . . . . . . 99 Y HB3 . 15485 1
804 . 1 1 99 99 TYR HD1 H 1 7.087 0.004 . . . . . . 99 Y QD . 15485 1
805 . 1 1 99 99 TYR HD2 H 1 7.087 0.004 . . . . . . 99 Y QD . 15485 1
806 . 1 1 99 99 TYR HE1 H 1 6.573 0.001 . . . . . . 99 Y QE . 15485 1
807 . 1 1 99 99 TYR HE2 H 1 6.573 0.001 . . . . . . 99 Y QE . 15485 1
808 . 1 1 99 99 TYR CA C 13 58.228 0.161 . . . . . . 99 Y CA . 15485 1
809 . 1 1 99 99 TYR CB C 13 37.171 0.157 . . . . . . 99 Y CB . 15485 1
810 . 1 1 99 99 TYR CD1 C 13 128.962 0.000 . . . . . . 99 Y CD1 . 15485 1
811 . 1 1 99 99 TYR CE1 C 13 113.651 0.000 . . . . . . 99 Y CE1 . 15485 1
812 . 1 1 99 99 TYR N N 15 113.904 0.010 . . . . . . 99 Y N . 15485 1
813 . 1 1 100 100 SER H H 1 8.950 0.007 . . . . . . 100 S HN . 15485 1
814 . 1 1 100 100 SER HA H 1 4.532 0.008 . . . . . . 100 S HA . 15485 1
815 . 1 1 100 100 SER HB2 H 1 3.731 0.005 . . . . . . 100 S HB2 . 15485 1
816 . 1 1 100 100 SER HB3 H 1 3.998 0.005 . . . . . . 100 S HB3 . 15485 1
817 . 1 1 100 100 SER CA C 13 55.924 0.058 . . . . . . 100 S CA . 15485 1
818 . 1 1 100 100 SER CB C 13 63.349 0.196 . . . . . . 100 S CB . 15485 1
819 . 1 1 100 100 SER N N 15 109.703 0.005 . . . . . . 100 S N . 15485 1
820 . 1 1 102 102 LEU H H 1 8.359 0.000 . . . . . . 102 L HN . 15485 1
821 . 1 1 102 102 LEU N N 15 118.924 0.000 . . . . . . 102 L N . 15485 1
822 . 1 1 104 104 ALA H H 1 8.253 0.000 . . . . . . 104 A HN . 15485 1
823 . 1 1 104 104 ALA N N 15 118.339 0.000 . . . . . . 104 A N . 15485 1
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