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 19541
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4ca9/ebi/EBI-58449.csh'
_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
8 2D 1 $sample_1 solution 19541 1
9 S2_CNOE 1 $sample_1 solution 19541 1
10 S3_NNOE 1 $sample_1 solution 19541 1
11 C13_D2O 1 $sample_1 solution 19541 1
12 M0 1 $sample_1 solution 19541 1
13 N15 1 $sample_1 solution 19541 1
14 NOE2H15N 1 $sample_1 solution 19541 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 5 5 MET H H 1 8.386 0.144 . 1 . . 876 . . 5 MET H . 19541 1
2 . 1 1 5 5 MET CA C 13 54.825 0.004 . 1 . . 535 . . 5 MET CA . 19541 1
3 . 1 1 5 5 MET CB C 13 32.282 0.034 . 1 . . 537 . . 5 MET CB . 19541 1
4 . 1 1 5 5 MET N N 15 112.972 4.568 . 1 . . 450 . . 5 MET N . 19541 1
5 . 1 1 6 6 ALA H H 1 8.323 0.068 . 1 . . 237 . . 6 ALA H . 19541 1
6 . 1 1 6 6 ALA CA C 13 51.863 0.227 . 1 . . 737 . . 6 ALA CA . 19541 1
7 . 1 1 6 6 ALA CB C 13 18.665 0.113 . 1 . . 735 . . 6 ALA CB . 19541 1
8 . 1 1 6 6 ALA N N 15 124.342 2.088 . 1 . . 239 . . 6 ALA N . 19541 1
9 . 1 1 7 7 MET CA C 13 55.095 0.05 . 1 . . 983 . . 7 MET CA . 19541 1
10 . 1 1 8 8 PHE H H 1 9.594 0.004 . 1 . . 454 . . 8 PHE H . 19541 1
11 . 1 1 8 8 PHE CA C 13 60.759 0.004 . 1 . . 820 . . 8 PHE CA . 19541 1
12 . 1 1 8 8 PHE CB C 13 38.628 0.034 . 1 . . 1131 . . 8 PHE CB . 19541 1
13 . 1 1 8 8 PHE N N 15 122.548 0.008 . 1 . . 455 . . 8 PHE N . 19541 1
14 . 1 1 9 9 TRP H H 1 6.578 0.002 . 1 . . 1 . . 9 TRP H . 19541 1
15 . 1 1 9 9 TRP HE1 H 1 8.910 . . 1 . . 1147 . . 9 TRP HE1 . 19541 1
16 . 1 1 9 9 TRP CA C 13 56.678 0.004 . 1 . . 680 . . 9 TRP CA . 19541 1
17 . 1 1 9 9 TRP CB C 13 31.669 0.004 . 1 . . 710 . . 9 TRP CB . 19541 1
18 . 1 1 9 9 TRP N N 15 129.524 0.003 . 1 . . 3 . . 9 TRP N . 19541 1
19 . 1 1 9 9 TRP NE1 N 15 126.905 . . 1 . . 1148 . . 9 TRP NE1 . 19541 1
20 . 1 1 10 10 GLY H H 1 6.437 0.003 . 1 . . 17 . . 10 GLY H . 19541 1
21 . 1 1 10 10 GLY CA C 13 44.436 0.053 . 1 . . 987 . . 10 GLY CA . 19541 1
22 . 1 1 10 10 GLY N N 15 109.637 0.001 . 1 . . 308 . . 10 GLY N . 19541 1
23 . 1 1 11 11 LEU H H 1 8.533 0.004 . 1 . . 16 . . 11 LEU H . 19541 1
24 . 1 1 11 11 LEU CA C 13 53.984 0.01 . 1 . . 610 . . 11 LEU CA . 19541 1
25 . 1 1 11 11 LEU CB C 13 45.717 0.086 . 1 . . 1133 . . 11 LEU CB . 19541 1
26 . 1 1 11 11 LEU N N 15 121.113 0.011 . 1 . . 307 . . 11 LEU N . 19541 1
27 . 1 1 12 12 ASN H H 1 8.715 0.002 . 1 . . 10 . . 12 ASN H . 19541 1
28 . 1 1 12 12 ASN CA C 13 52.136 0.0 . 1 . . 681 . . 12 ASN CA . 19541 1
29 . 1 1 12 12 ASN CB C 13 38.353 0.003 . 1 . . 730 . . 12 ASN CB . 19541 1
30 . 1 1 12 12 ASN N N 15 126.551 0.003 . 1 . . 11 . . 12 ASN N . 19541 1
31 . 1 1 13 13 MET H H 1 8.861 0.003 . 1 . . 12 . . 13 MET H . 19541 1
32 . 1 1 13 13 MET CA C 13 54.538 0.003 . 1 . . 824 . . 13 MET CA . 19541 1
33 . 1 1 13 13 MET CB C 13 34.600 0.027 . 1 . . 1127 . . 13 MET CB . 19541 1
34 . 1 1 13 13 MET N N 15 119.997 0.017 . 1 . . 13 . . 13 MET N . 19541 1
35 . 1 1 14 14 LYS H H 1 8.708 0.003 . 1 . . 20 . . 14 LYS H . 19541 1
36 . 1 1 14 14 LYS CA C 13 52.774 . . 1 . . 846 . . 14 LYS CA . 19541 1
37 . 1 1 14 14 LYS CB C 13 31.430 . . 1 . . 1126 . . 14 LYS CB . 19541 1
38 . 1 1 14 14 LYS N N 15 125.418 0.011 . 1 . . 21 . . 14 LYS N . 19541 1
39 . 1 1 15 15 PRO CA C 13 62.867 . . 1 . . 840 . . 15 PRO CA . 19541 1
40 . 1 1 15 15 PRO CB C 13 31.506 . . 1 . . 800 . . 15 PRO CB . 19541 1
41 . 1 1 16 16 GLU H H 1 8.307 0.004 . 1 . . 407 . . 16 GLU H . 19541 1
42 . 1 1 16 16 GLU CA C 13 58.527 0.005 . 1 . . 683 . . 16 GLU CA . 19541 1
43 . 1 1 16 16 GLU CB C 13 26.502 0.011 . 1 . . 628 . . 16 GLU CB . 19541 1
44 . 1 1 16 16 GLU N N 15 114.673 0.03 . 1 . . 408 . . 16 GLU N . 19541 1
45 . 1 1 17 17 ARG H H 1 7.791 0.004 . 1 . . 205 . . 17 ARG H . 19541 1
46 . 1 1 17 17 ARG CA C 13 55.261 0.05 . 1 . . 829 . . 17 ARG CA . 19541 1
47 . 1 1 17 17 ARG CB C 13 30.198 0.002 . 1 . . 705 . . 17 ARG CB . 19541 1
48 . 1 1 17 17 ARG N N 15 120.709 0.003 . 1 . . 206 . . 17 ARG N . 19541 1
49 . 1 1 18 18 LYS H H 1 8.427 0.004 . 1 . . 210 . . 18 LYS H . 19541 1
50 . 1 1 18 18 LYS CA C 13 55.461 0.043 . 1 . . 997 . . 18 LYS CA . 19541 1
51 . 1 1 18 18 LYS CB C 13 31.616 0.0 . 1 . . 1130 . . 18 LYS CB . 19541 1
52 . 1 1 18 18 LYS N N 15 120.918 0.01 . 1 . . 211 . . 18 LYS N . 19541 1
53 . 1 1 19 19 TYR H H 1 9.221 0.004 . 1 . . 411 . . 19 TYR H . 19541 1
54 . 1 1 19 19 TYR CA C 13 57.109 0.017 . 1 . . 834 . . 19 TYR CA . 19541 1
55 . 1 1 19 19 TYR CB C 13 37.181 0.021 . 1 . . 1129 . . 19 TYR CB . 19541 1
56 . 1 1 19 19 TYR N N 15 123.164 0.009 . 1 . . 412 . . 19 TYR N . 19541 1
57 . 1 1 20 20 SER H H 1 8.921 0.001 . 1 . . 142 . . 20 SER H . 19541 1
58 . 1 1 20 20 SER CA C 13 58.496 0.005 . 1 . . 764 . . 20 SER CA . 19541 1
59 . 1 1 20 20 SER CB C 13 62.528 0.007 . 1 . . 526 . . 20 SER CB . 19541 1
60 . 1 1 20 20 SER N N 15 122.548 0.012 . 1 . . 144 . . 20 SER N . 19541 1
61 . 1 1 21 21 GLN H H 1 8.395 0.002 . 1 . . 146 . . 21 GLN H . 19541 1
62 . 1 1 21 21 GLN CA C 13 54.049 0.054 . 1 . . 684 . . 21 GLN CA . 19541 1
63 . 1 1 21 21 GLN CB C 13 29.268 0.002 . 1 . . 1145 . . 21 GLN CB . 19541 1
64 . 1 1 21 21 GLN N N 15 122.853 0.016 . 1 . . 150 . . 21 GLN N . 19541 1
65 . 1 1 22 22 THR H H 1 8.905 0.003 . 1 . . 133 . . 22 THR H . 19541 1
66 . 1 1 22 22 THR CA C 13 62.086 0.009 . 1 . . 525 . . 22 THR CA . 19541 1
67 . 1 1 22 22 THR CB C 13 68.221 0.004 . 1 . . 685 . . 22 THR CB . 19541 1
68 . 1 1 22 22 THR N N 15 122.753 0.01 . 1 . . 135 . . 22 THR N . 19541 1
69 . 1 1 23 23 ILE H H 1 8.793 0.004 . 1 . . 139 . . 23 ILE H . 19541 1
70 . 1 1 23 23 ILE CA C 13 61.948 0.033 . 1 . . 690 . . 23 ILE CA . 19541 1
71 . 1 1 23 23 ILE CB C 13 37.012 0.012 . 1 . . 692 . . 23 ILE CB . 19541 1
72 . 1 1 23 23 ILE N N 15 127.989 0.008 . 1 . . 140 . . 23 ILE N . 19541 1
73 . 1 1 24 24 ILE H H 1 8.398 0.005 . 1 . . 183 . . 24 ILE H . 19541 1
74 . 1 1 24 24 ILE CA C 13 61.370 0.005 . 1 . . 688 . . 24 ILE CA . 19541 1
75 . 1 1 24 24 ILE CB C 13 37.505 0.073 . 1 . . 687 . . 24 ILE CB . 19541 1
76 . 1 1 24 24 ILE N N 15 125.414 0.016 . 1 . . 185 . . 24 ILE N . 19541 1
77 . 1 1 25 25 LYS H H 1 7.715 0.004 . 1 . . 235 . . 25 LYS H . 19541 1
78 . 1 1 25 25 LYS CA C 13 54.458 0.046 . 1 . . 759 . . 25 LYS CA . 19541 1
79 . 1 1 25 25 LYS CB C 13 34.081 0.006 . 1 . . 760 . . 25 LYS CB . 19541 1
80 . 1 1 25 25 LYS N N 15 119.789 0.009 . 1 . . 236 . . 25 LYS N . 19541 1
81 . 1 1 26 26 SER H H 1 8.646 0.003 . 1 . . 232 . . 26 SER H . 19541 1
82 . 1 1 26 26 SER CA C 13 58.787 0.004 . 1 . . 831 . . 26 SER CA . 19541 1
83 . 1 1 26 26 SER CB C 13 62.559 0.058 . 1 . . 527 . . 26 SER CB . 19541 1
84 . 1 1 26 26 SER N N 15 117.427 0.001 . 1 . . 424 . . 26 SER N . 19541 1
85 . 1 1 27 27 PHE H H 1 8.438 0.005 . 1 . . 231 . . 27 PHE H . 19541 1
86 . 1 1 27 27 PHE CA C 13 55.660 0.042 . 1 . . 853 . . 27 PHE CA . 19541 1
87 . 1 1 27 27 PHE CB C 13 41.082 0.011 . 1 . . 1137 . . 27 PHE CB . 19541 1
88 . 1 1 27 27 PHE N N 15 118.658 0.0 . 1 . . 233 . . 27 PHE N . 19541 1
89 . 1 1 28 28 HIS H H 1 8.738 0.005 . 1 . . 317 . . 28 HIS H . 19541 1
90 . 1 1 28 28 HIS CA C 13 52.176 0.003 . 1 . . 1007 . . 28 HIS CA . 19541 1
91 . 1 1 28 28 HIS CB C 13 31.202 . . 1 . . 1138 . . 28 HIS CB . 19541 1
92 . 1 1 28 28 HIS N N 15 118.655 0.006 . 1 . . 319 . . 28 HIS N . 19541 1
93 . 1 1 29 29 ILE H H 1 8.176 0.004 . 1 . . 428 . . 29 ILE H . 19541 1
94 . 1 1 29 29 ILE CA C 13 60.264 0.013 . 1 . . 1009 . . 29 ILE CA . 19541 1
95 . 1 1 29 29 ILE CB C 13 38.173 0.019 . 1 . . 839 . . 29 ILE CB . 19541 1
96 . 1 1 29 29 ILE N N 15 123.993 0.012 . 1 . . 429 . . 29 ILE N . 19541 1
97 . 1 1 30 30 SER H H 1 9.583 0.007 . 1 . . 43 . . 30 SER H . 19541 1
98 . 1 1 30 30 SER CA C 13 56.486 0.058 . 1 . . 790 . . 30 SER CA . 19541 1
99 . 1 1 30 30 SER CB C 13 66.448 . . 1 . . 741 . . 30 SER CB . 19541 1
100 . 1 1 30 30 SER N N 15 118.550 0.01 . 1 . . 44 . . 30 SER N . 19541 1
101 . 1 1 31 31 GLY H H 1 7.987 0.006 . 1 . . 41 . . 31 GLY H . 19541 1
102 . 1 1 31 31 GLY CA C 13 46.275 0.056 . 1 . . 767 . . 31 GLY CA . 19541 1
103 . 1 1 31 31 GLY N N 15 111.072 0.001 . 1 . . 435 . . 31 GLY N . 19541 1
104 . 1 1 32 32 VAL H H 1 8.213 0.003 . 1 . . 40 . . 32 VAL H . 19541 1
105 . 1 1 32 32 VAL CA C 13 57.566 0.06 . 1 . . 818 . . 32 VAL CA . 19541 1
106 . 1 1 32 32 VAL CB C 13 33.010 . . 1 . . 766 . . 32 VAL CB . 19541 1
107 . 1 1 32 32 VAL N N 15 117.324 0.004 . 1 . . 42 . . 32 VAL N . 19541 1
108 . 1 1 33 33 ALA H H 1 8.402 0.001 . 1 . . 30 . . 33 ALA H . 19541 1
109 . 1 1 33 33 ALA CA C 13 50.899 0.009 . 1 . . 697 . . 33 ALA CA . 19541 1
110 . 1 1 33 33 ALA CB C 13 22.580 0.055 . 1 . . 567 . . 33 ALA CB . 19541 1
111 . 1 1 33 33 ALA N N 15 127.583 0.017 . 1 . . 38 . . 33 ALA N . 19541 1
112 . 1 1 34 34 LEU H H 1 8.916 0.004 . 1 . . 37 . . 34 LEU H . 19541 1
113 . 1 1 34 34 LEU CA C 13 54.861 0.04 . 1 . . 608 . . 34 LEU CA . 19541 1
114 . 1 1 34 34 LEU CB C 13 43.712 0.037 . 1 . . 649 . . 34 LEU CB . 19541 1
115 . 1 1 34 34 LEU N N 15 120.011 0.047 . 1 . . 90 . . 34 LEU N . 19541 1
116 . 1 1 35 35 ASP H H 1 8.919 0.004 . 1 . . 50 . . 35 ASP H . 19541 1
117 . 1 1 35 35 ASP CA C 13 54.267 0.043 . 1 . . 1015 . . 35 ASP CA . 19541 1
118 . 1 1 35 35 ASP CB C 13 40.840 0.008 . 1 . . 573 . . 35 ASP CB . 19541 1
119 . 1 1 35 35 ASP N N 15 124.668 0.047 . 1 . . 51 . . 35 ASP N . 19541 1
120 . 1 1 36 36 LYS H H 1 7.413 0.007 . 1 . . 52 . . 36 LYS H . 19541 1
121 . 1 1 36 36 LYS CA C 13 54.367 0.023 . 1 . . 574 . . 36 LYS CA . 19541 1
122 . 1 1 36 36 LYS CB C 13 33.979 0.011 . 1 . . 570 . . 36 LYS CB . 19541 1
123 . 1 1 36 36 LYS N N 15 115.691 0.012 . 1 . . 53 . . 36 LYS N . 19541 1
124 . 1 1 37 37 GLY H H 1 8.087 0.009 . 1 . . 54 . . 37 GLY H . 19541 1
125 . 1 1 37 37 GLY CA C 13 43.187 0.012 . 1 . . 565 . . 37 GLY CA . 19541 1
126 . 1 1 37 37 GLY N N 15 108.300 0.013 . 1 . . 58 . . 37 GLY N . 19541 1
127 . 1 1 38 38 GLN H H 1 10.340 0.005 . 1 . . 60 . . 38 GLN H . 19541 1
128 . 1 1 38 38 GLN CA C 13 57.556 0.003 . 1 . . 523 . . 38 GLN CA . 19541 1
129 . 1 1 38 38 GLN CB C 13 29.233 0.036 . 1 . . 563 . . 38 GLN CB . 19541 1
130 . 1 1 38 38 GLN N N 15 117.762 0.048 . 1 . . 61 . . 38 GLN N . 19541 1
131 . 1 1 39 39 GLU H H 1 9.059 0.003 . 1 . . 57 . . 39 GLU H . 19541 1
132 . 1 1 39 39 GLU CA C 13 55.500 0.01 . 1 . . 679 . . 39 GLU CA . 19541 1
133 . 1 1 39 39 GLU CB C 13 32.588 0.001 . 1 . . 754 . . 39 GLU CB . 19541 1
134 . 1 1 39 39 GLU N N 15 119.372 0.008 . 1 . . 59 . . 39 GLU N . 19541 1
135 . 1 1 40 40 ALA H H 1 9.028 0.005 . 1 . . 65 . . 40 ALA H . 19541 1
136 . 1 1 40 40 ALA CA C 13 51.627 0.039 . 1 . . 812 . . 40 ALA CA . 19541 1
137 . 1 1 40 40 ALA CB C 13 21.917 0.015 . 1 . . 677 . . 40 ALA CB . 19541 1
138 . 1 1 40 40 ALA N N 15 125.216 0.003 . 1 . . 67 . . 40 ALA N . 19541 1
139 . 1 1 41 41 LYS H H 1 8.866 0.005 . 1 . . 93 . . 41 LYS H . 19541 1
140 . 1 1 41 41 LYS CA C 13 55.004 0.032 . 1 . . 1021 . . 41 LYS CA . 19541 1
141 . 1 1 41 41 LYS CB C 13 33.660 . . 1 . . 1134 . . 41 LYS CB . 19541 1
142 . 1 1 41 41 LYS N N 15 120.606 0.001 . 1 . . 95 . . 41 LYS N . 19541 1
143 . 1 1 42 42 LEU H H 1 9.129 0.006 . 1 . . 261 . . 42 LEU H . 19541 1
144 . 1 1 42 42 LEU CA C 13 53.522 0.035 . 1 . . 1023 . . 42 LEU CA . 19541 1
145 . 1 1 42 42 LEU CB C 13 43.199 . . 1 . . 1128 . . 42 LEU CB . 19541 1
146 . 1 1 42 42 LEU N N 15 123.670 0.019 . 1 . . 262 . . 42 LEU N . 19541 1
147 . 1 1 43 43 TYR H H 1 9.277 0.003 . 1 . . 381 . . 43 TYR H . 19541 1
148 . 1 1 43 43 TYR CA C 13 56.646 0.004 . 1 . . 757 . . 43 TYR CA . 19541 1
149 . 1 1 43 43 TYR CB C 13 41.035 . . 1 . . 1146 . . 43 TYR CB . 19541 1
150 . 1 1 43 43 TYR N N 15 125.420 0.006 . 1 . . 399 . . 43 TYR N . 19541 1
151 . 1 1 44 44 LEU H H 1 8.732 0.001 . 1 . . 110 . . 44 LEU H . 19541 1
152 . 1 1 44 44 LEU CA C 13 52.382 0.001 . 1 . . 580 . . 44 LEU CA . 19541 1
153 . 1 1 44 44 LEU N N 15 118.626 0.232 . 1 . . 112 . . 44 LEU N . 19541 1
154 . 1 1 45 45 ALA H H 1 9.069 0.004 . 1 . . 48 . . 45 ALA H . 19541 1
155 . 1 1 45 45 ALA CA C 13 49.708 0.055 . 1 . . 551 . . 45 ALA CA . 19541 1
156 . 1 1 45 45 ALA CB C 13 20.448 0.002 . 1 . . 511 . . 45 ALA CB . 19541 1
157 . 1 1 45 45 ALA N N 15 125.931 0.009 . 1 . . 72 . . 45 ALA N . 19541 1
158 . 1 1 46 46 ALA H H 1 8.554 0.004 . 1 . . 68 . . 46 ALA H . 19541 1
159 . 1 1 46 46 ALA CA C 13 50.746 0.009 . 1 . . 827 . . 46 ALA CA . 19541 1
160 . 1 1 46 46 ALA CB C 13 20.298 0.005 . 1 . . 510 . . 46 ALA CB . 19541 1
161 . 1 1 46 46 ALA N N 15 124.713 0.018 . 1 . . 70 . . 46 ALA N . 19541 1
162 . 1 1 47 47 GLU H H 1 9.453 0.003 . 1 . . 74 . . 47 GLU H . 19541 1
163 . 1 1 47 47 GLU CA C 13 57.015 0.027 . 1 . . 518 . . 47 GLU CA . 19541 1
164 . 1 1 47 47 GLU CB C 13 26.567 0.002 . 1 . . 627 . . 47 GLU CB . 19541 1
165 . 1 1 47 47 GLU N N 15 122.138 0.012 . 1 . . 182 . . 47 GLU N . 19541 1
166 . 1 1 48 48 LYS H H 1 8.595 0.008 . 1 . . 213 . . 48 LYS H . 19541 1
167 . 1 1 48 48 LYS CA C 13 57.067 0.029 . 1 . . 519 . . 48 LYS CA . 19541 1
168 . 1 1 48 48 LYS CB C 13 29.617 0.029 . 1 . . 630 . . 48 LYS CB . 19541 1
169 . 1 1 48 48 LYS N N 15 111.998 0.006 . 1 . . 215 . . 48 LYS N . 19541 1
170 . 1 1 49 49 GLN H H 1 7.853 0.003 . 1 . . 75 . . 49 GLN H . 19541 1
171 . 1 1 49 49 GLN CA C 13 54.040 0.015 . 1 . . 631 . . 49 GLN CA . 19541 1
172 . 1 1 49 49 GLN CB C 13 31.379 0.021 . 1 . . 633 . . 49 GLN CB . 19541 1
173 . 1 1 49 49 GLN N N 15 118.659 0.003 . 1 . . 217 . . 49 GLN N . 19541 1
174 . 1 1 50 50 GLU H H 1 8.068 0.005 . 1 . . 329 . . 50 GLU H . 19541 1
175 . 1 1 50 50 GLU CA C 13 54.760 0.049 . 1 . . 634 . . 50 GLU CA . 19541 1
176 . 1 1 50 50 GLU CB C 13 31.879 0.028 . 1 . . 635 . . 50 GLU CB . 19541 1
177 . 1 1 50 50 GLU N N 15 120.502 0.001 . 1 . . 336 . . 50 GLU N . 19541 1
178 . 1 1 51 51 TYR H H 1 9.484 0.004 . 1 . . 73 . . 51 TYR H . 19541 1
179 . 1 1 51 51 TYR CA C 13 56.163 0.029 . 1 . . 836 . . 51 TYR CA . 19541 1
180 . 1 1 51 51 TYR CB C 13 40.526 0.035 . 1 . . 838 . . 51 TYR CB . 19541 1
181 . 1 1 51 51 TYR N N 15 123.270 0.001 . 1 . . 243 . . 51 TYR N . 19541 1
182 . 1 1 52 52 ILE H H 1 8.401 0.004 . 1 . . 186 . . 52 ILE H . 19541 1
183 . 1 1 52 52 ILE CA C 13 57.920 0.022 . 1 . . 817 . . 52 ILE CA . 19541 1
184 . 1 1 52 52 ILE CB C 13 37.931 0.024 . 1 . . 637 . . 52 ILE CB . 19541 1
185 . 1 1 52 52 ILE N N 15 121.635 0.013 . 1 . . 188 . . 52 ILE N . 19541 1
186 . 1 1 53 53 VAL H H 1 8.750 0.004 . 1 . . 192 . . 53 VAL H . 19541 1
187 . 1 1 53 53 VAL CA C 13 62.009 0.056 . 1 . . 778 . . 53 VAL CA . 19541 1
188 . 1 1 53 53 VAL CB C 13 31.993 . . 1 . . 826 . . 53 VAL CB . 19541 1
189 . 1 1 53 53 VAL N N 15 123.676 0.011 . 1 . . 193 . . 53 VAL N . 19541 1
190 . 1 1 54 54 ALA H H 1 7.108 0.005 . 1 . . 159 . . 54 ALA H . 19541 1
191 . 1 1 54 54 ALA CA C 13 51.009 0.034 . 1 . . 641 . . 54 ALA CA . 19541 1
192 . 1 1 54 54 ALA CB C 13 22.244 0.008 . 1 . . 642 . . 54 ALA CB . 19541 1
193 . 1 1 54 54 ALA N N 15 112.498 0.019 . 1 . . 161 . . 54 ALA N . 19541 1
194 . 1 1 55 55 THR H H 1 9.107 0.003 . 1 . . 154 . . 55 THR H . 19541 1
195 . 1 1 55 55 THR CA C 13 62.616 0.008 . 1 . . 833 . . 55 THR CA . 19541 1
196 . 1 1 55 55 THR CB C 13 69.749 0.001 . 1 . . 643 . . 55 THR CB . 19541 1
197 . 1 1 55 55 THR N N 15 117.734 0.003 . 1 . . 156 . . 55 THR N . 19541 1
198 . 1 1 56 56 VAL H H 1 8.970 0.004 . 1 . . 119 . . 56 VAL H . 19541 1
199 . 1 1 56 56 VAL CA C 13 58.483 0.017 . 1 . . 645 . . 56 VAL CA . 19541 1
200 . 1 1 56 56 VAL CB C 13 33.223 0.042 . 1 . . 640 . . 56 VAL CB . 19541 1
201 . 1 1 56 56 VAL N N 15 119.588 0.017 . 1 . . 122 . . 56 VAL N . 19541 1
202 . 1 1 57 57 THR H H 1 8.043 0.004 . 1 . . 125 . . 57 THR H . 19541 1
203 . 1 1 57 57 THR CA C 13 58.595 0.014 . 1 . . 516 . . 57 THR CA . 19541 1
204 . 1 1 57 57 THR CB C 13 73.512 0.011 . 1 . . 646 . . 57 THR CB . 19541 1
205 . 1 1 57 57 THR N N 15 112.296 0.013 . 1 . . 126 . . 57 THR N . 19541 1
206 . 1 1 58 58 LYS H H 1 7.787 0.004 . 1 . . 64 . . 58 LYS H . 19541 1
207 . 1 1 58 58 LYS CA C 13 59.015 0.046 . 1 . . 553 . . 58 LYS CA . 19541 1
208 . 1 1 58 58 LYS CB C 13 31.097 0.01 . 1 . . 556 . . 58 LYS CB . 19541 1
209 . 1 1 58 58 LYS N N 15 116.405 0.006 . 1 . . 66 . . 58 LYS N . 19541 1
210 . 1 1 59 59 ALA H H 1 7.770 0.007 . 1 . . 196 . . 59 ALA H . 19541 1
211 . 1 1 59 59 ALA CA C 13 53.009 0.016 . 1 . . 651 . . 59 ALA CA . 19541 1
212 . 1 1 59 59 ALA CB C 13 18.391 0.022 . 1 . . 650 . . 59 ALA CB . 19541 1
213 . 1 1 59 59 ALA N N 15 116.518 0.033 . 1 . . 198 . . 59 ALA N . 19541 1
214 . 1 1 60 60 ILE H H 1 7.361 0.003 . 1 . . 153 . . 60 ILE H . 19541 1
215 . 1 1 60 60 ILE CA C 13 58.645 . . 1 . . 658 . . 60 ILE CA . 19541 1
216 . 1 1 60 60 ILE CB C 13 37.401 . . 1 . . 653 . . 60 ILE CB . 19541 1
217 . 1 1 60 60 ILE N N 15 118.558 0.008 . 1 . . 195 . . 60 ILE N . 19541 1
218 . 1 1 61 61 PRO CA C 13 64.683 . . 1 . . 843 . . 61 PRO CA . 19541 1
219 . 1 1 61 61 PRO CB C 13 30.411 . . 1 . . 1144 . . 61 PRO CB . 19541 1
220 . 1 1 62 62 GLN H H 1 7.345 0.005 . 1 . . 340 . . 62 GLN H . 19541 1
221 . 1 1 62 62 GLN CA C 13 55.335 0.03 . 1 . . 850 . . 62 GLN CA . 19541 1
222 . 1 1 62 62 GLN CB C 13 27.618 0.022 . 1 . . 849 . . 62 GLN CB . 19541 1
223 . 1 1 62 62 GLN N N 15 111.279 0.003 . 1 . . 342 . . 62 GLN N . 19541 1
224 . 1 1 63 63 VAL H H 1 8.723 0.004 . 1 . . 49 . . 63 VAL H . 19541 1
225 . 1 1 63 63 VAL CA C 13 61.008 0.032 . 1 . . 659 . . 63 VAL CA . 19541 1
226 . 1 1 63 63 VAL CB C 13 35.282 0.006 . 1 . . 662 . . 63 VAL CB . 19541 1
227 . 1 1 63 63 VAL N N 15 118.150 0.013 . 1 . . 177 . . 63 VAL N . 19541 1
228 . 1 1 64 64 ALA H H 1 8.801 0.004 . 1 . . 170 . . 64 ALA H . 19541 1
229 . 1 1 64 64 ALA CA C 13 52.051 0.032 . 1 . . 775 . . 64 ALA CA . 19541 1
230 . 1 1 64 64 ALA CB C 13 18.697 . . 1 . . 660 . . 64 ALA CB . 19541 1
231 . 1 1 64 64 ALA N N 15 131.780 0.006 . 1 . . 172 . . 64 ALA N . 19541 1
232 . 1 1 65 65 LEU H H 1 7.833 0.005 . 1 . . 171 . . 65 LEU H . 19541 1
233 . 1 1 65 65 LEU CA C 13 52.028 0.048 . 1 . . 847 . . 65 LEU CA . 19541 1
234 . 1 1 65 65 LEU CB C 13 46.050 . . 1 . . 1140 . . 65 LEU CB . 19541 1
235 . 1 1 65 65 LEU N N 15 121.242 0.032 . 1 . . 178 . . 65 LEU N . 19541 1
236 . 1 1 66 66 ASP H H 1 8.291 0.004 . 1 . . 355 . . 66 ASP H . 19541 1
237 . 1 1 66 66 ASP CA C 13 53.144 0.014 . 1 . . 816 . . 66 ASP CA . 19541 1
238 . 1 1 66 66 ASP CB C 13 40.514 . . 1 . . 1139 . . 66 ASP CB . 19541 1
239 . 1 1 66 66 ASP N N 15 117.948 0.018 . 1 . . 356 . . 66 ASP N . 19541 1
240 . 1 1 67 67 LEU H H 1 7.206 0.004 . 1 . . 203 . . 67 LEU H . 19541 1
241 . 1 1 67 67 LEU CA C 13 52.637 0.079 . 1 . . 848 . . 67 LEU CA . 19541 1
242 . 1 1 67 67 LEU CB C 13 44.189 0.014 . 1 . . 1132 . . 67 LEU CB . 19541 1
243 . 1 1 67 67 LEU N N 15 120.898 0.026 . 1 . . 204 . . 67 LEU N . 19541 1
244 . 1 1 68 68 ASN H H 1 7.610 0.008 . 1 . . 864 . . 68 ASN H . 19541 1
245 . 1 1 68 68 ASN CA C 13 51.658 0.008 . 1 . . 860 . . 68 ASN CA . 19541 1
246 . 1 1 68 68 ASN CB C 13 43.519 0.013 . 1 . . 1142 . . 68 ASN CB . 19541 1
247 . 1 1 68 68 ASN N N 15 117.534 0.009 . 1 . . 859 . . 68 ASN N . 19541 1
248 . 1 1 69 69 PHE H H 1 7.816 0.007 . 1 . . 234 . . 69 PHE H . 19541 1
249 . 1 1 69 69 PHE CA C 13 55.518 . . 1 . . 1048 . . 69 PHE CA . 19541 1
250 . 1 1 69 69 PHE CB C 13 42.994 . . 1 . . 1143 . . 69 PHE CB . 19541 1
251 . 1 1 69 69 PHE N N 15 114.040 0.011 . 1 . . 360 . . 69 PHE N . 19541 1
252 . 1 1 70 70 SER H H 1 10.578 0.009 . 1 . . 866 . . 70 SER H . 19541 1
253 . 1 1 70 70 SER CA C 13 55.371 0.041 . 1 . . 832 . . 70 SER CA . 19541 1
254 . 1 1 70 70 SER CB C 13 66.034 0.056 . 1 . . 699 . . 70 SER CB . 19541 1
255 . 1 1 70 70 SER N N 15 118.569 0.019 . 1 . . 861 . . 70 SER N . 19541 1
256 . 1 1 71 71 LYS H H 1 8.490 0.003 . 1 . . 362 . . 71 LYS H . 19541 1
257 . 1 1 71 71 LYS CA C 13 58.251 0.001 . 1 . . 719 . . 71 LYS CA . 19541 1
258 . 1 1 71 71 LYS CB C 13 31.575 . . 1 . . 665 . . 71 LYS CB . 19541 1
259 . 1 1 71 71 LYS N N 15 116.812 0.001 . 1 . . 364 . . 71 LYS N . 19541 1
260 . 1 1 72 72 GLY H H 1 8.372 0.01 . 1 . . 368 . . 72 GLY H . 19541 1
261 . 1 1 72 72 GLY CA C 13 44.564 0.021 . 1 . . 1078 . . 72 GLY CA . 19541 1
262 . 1 1 72 72 GLY N N 15 106.083 0.047 . 1 . . 369 . . 72 GLY N . 19541 1
263 . 1 1 73 73 ASP H H 1 8.156 0.004 . 1 . . 371 . . 73 ASP H . 19541 1
264 . 1 1 73 73 ASP CA C 13 55.677 0.043 . 1 . . 1052 . . 73 ASP CA . 19541 1
265 . 1 1 73 73 ASP CB C 13 42.205 0.006 . 1 . . 1125 . . 73 ASP CB . 19541 1
266 . 1 1 73 73 ASP N N 15 121.631 0.001 . 1 . . 372 . . 73 ASP N . 19541 1
267 . 1 1 74 74 ARG H H 1 8.770 0.006 . 1 . . 222 . . 74 ARG H . 19541 1
268 . 1 1 74 74 ARG CA C 13 54.505 0.006 . 1 . . 830 . . 74 ARG CA . 19541 1
269 . 1 1 74 74 ARG CB C 13 28.812 0.015 . 1 . . 532 . . 74 ARG CB . 19541 1
270 . 1 1 74 74 ARG N N 15 125.184 0.045 . 1 . . 223 . . 74 ARG N . 19541 1
271 . 1 1 75 75 ILE H H 1 8.294 0.003 . 1 . . 78 . . 75 ILE H . 19541 1
272 . 1 1 75 75 ILE CA C 13 57.812 0.012 . 1 . . 515 . . 75 ILE CA . 19541 1
273 . 1 1 75 75 ILE CB C 13 41.088 0.005 . 1 . . 529 . . 75 ILE CB . 19541 1
274 . 1 1 75 75 ILE N N 15 117.537 0.018 . 1 . . 80 . . 75 ILE N . 19541 1
275 . 1 1 76 76 MET H H 1 7.974 0.004 . 1 . . 45 . . 76 MET H . 19541 1
276 . 1 1 76 76 MET CA C 13 53.828 0.07 . 1 . . 789 . . 76 MET CA . 19541 1
277 . 1 1 76 76 MET CB C 13 36.197 0.023 . 1 . . 668 . . 76 MET CB . 19541 1
278 . 1 1 76 76 MET N N 15 120.607 0.003 . 1 . . 47 . . 76 MET N . 19541 1
279 . 1 1 77 77 PHE H H 1 8.151 0.004 . 1 . . 375 . . 77 PHE H . 19541 1
280 . 1 1 77 77 PHE CA C 13 55.471 0.034 . 1 . . 717 . . 77 PHE CA . 19541 1
281 . 1 1 77 77 PHE CB C 13 43.331 . . 1 . . 715 . . 77 PHE CB . 19541 1
282 . 1 1 77 77 PHE N N 15 120.090 0.005 . 1 . . 376 . . 77 PHE N . 19541 1
283 . 1 1 78 78 TYR H H 1 8.540 0.003 . 1 . . 218 . . 78 TYR H . 19541 1
284 . 1 1 78 78 TYR CA C 13 56.822 0.027 . 1 . . 828 . . 78 TYR CA . 19541 1
285 . 1 1 78 78 TYR CB C 13 39.843 0.019 . 1 . . 1141 . . 78 TYR CB . 19541 1
286 . 1 1 78 78 TYR N N 15 115.990 0.004 . 1 . . 219 . . 78 TYR N . 19541 1
287 . 1 1 79 79 THR H H 1 10.256 0.006 . 1 . . 207 . . 79 THR H . 19541 1
288 . 1 1 79 79 THR CA C 13 58.068 0.024 . 1 . . 776 . . 79 THR CA . 19541 1
289 . 1 1 79 79 THR CB C 13 71.517 0.002 . 1 . . 671 . . 79 THR CB . 19541 1
290 . 1 1 79 79 THR N N 15 110.868 0.0 . 1 . . 209 . . 79 THR N . 19541 1
291 . 1 1 80 80 ALA H H 1 9.183 0.004 . 1 . . 82 . . 80 ALA H . 19541 1
292 . 1 1 80 80 ALA CA C 13 50.564 0.005 . 1 . . 674 . . 80 ALA CA . 19541 1
293 . 1 1 80 80 ALA CB C 13 22.294 0.005 . 1 . . 675 . . 80 ALA CB . 19541 1
294 . 1 1 80 80 ALA N N 15 121.841 0.015 . 1 . . 84 . . 80 ALA N . 19541 1
295 . 1 1 81 81 GLY H H 1 8.943 0.008 . 1 . . 86 . . 81 GLY H . 19541 1
296 . 1 1 81 81 GLY CA C 13 43.635 0.003 . 1 . . 791 . . 81 GLY CA . 19541 1
297 . 1 1 81 81 GLY N N 15 111.693 0.013 . 1 . . 88 . . 81 GLY N . 19541 1
298 . 1 1 82 82 ASP H H 1 8.632 0.011 . 1 . . 62 . . 82 ASP H . 19541 1
299 . 1 1 82 82 ASP CA C 13 53.266 0.006 . 1 . . 1123 . . 82 ASP CA . 19541 1
300 . 1 1 82 82 ASP CB C 13 42.028 0.046 . 1 . . 676 . . 82 ASP CB . 19541 1
301 . 1 1 82 82 ASP N N 15 115.167 0.013 . 1 . . 392 . . 82 ASP N . 19541 1
302 . 1 1 83 83 ALA H H 1 7.804 0.005 . 1 . . 56 . . 83 ALA H . 19541 1
303 . 1 1 83 83 ALA CA C 13 51.902 0.009 . 1 . . 822 . . 83 ALA CA . 19541 1
304 . 1 1 83 83 ALA CB C 13 20.087 0.017 . 1 . . 564 . . 83 ALA CB . 19541 1
305 . 1 1 83 83 ALA N N 15 122.553 0.001 . 1 . . 63 . . 83 ALA N . 19541 1
306 . 1 1 84 84 SER H H 1 8.715 0.006 . 1 . . 31 . . 84 SER H . 19541 1
307 . 1 1 84 84 SER CA C 13 57.263 0.002 . 1 . . 821 . . 84 SER CA . 19541 1
308 . 1 1 84 84 SER CB C 13 63.827 0.003 . 1 . . 575 . . 84 SER CB . 19541 1
309 . 1 1 84 84 SER N N 15 115.678 0.017 . 1 . . 55 . . 84 SER N . 19541 1
310 . 1 1 85 85 VAL H H 1 7.841 0.003 . 1 . . 18 . . 85 VAL H . 19541 1
311 . 1 1 85 85 VAL CA C 13 57.897 0.006 . 1 . . 581 . . 85 VAL CA . 19541 1
312 . 1 1 85 85 VAL CB C 13 35.273 . . 1 . . 584 . . 85 VAL CB . 19541 1
313 . 1 1 85 85 VAL N N 15 111.578 0.016 . 1 . . 26 . . 85 VAL N . 19541 1
314 . 1 1 86 86 SER H H 1 9.001 0.013 . 1 . . 27 . . 86 SER H . 19541 1
315 . 1 1 86 86 SER CA C 13 57.646 0.045 . 1 . . 517 . . 86 SER CA . 19541 1
316 . 1 1 86 86 SER CB C 13 64.810 0.075 . 1 . . 1124 . . 86 SER CB . 19541 1
317 . 1 1 86 86 SER N N 15 115.681 0.007 . 1 . . 28 . . 86 SER N . 19541 1
318 . 1 1 87 87 LEU H H 1 9.405 0.005 . 1 . . 23 . . 87 LEU H . 19541 1
319 . 1 1 87 87 LEU CA C 13 53.329 . . 1 . . 617 . . 87 LEU CA . 19541 1
320 . 1 1 87 87 LEU CB C 13 43.789 . . 1 . . 606 . . 87 LEU CB . 19541 1
321 . 1 1 87 87 LEU N N 15 127.473 0.001 . 1 . . 24 . . 87 LEU N . 19541 1
322 . 1 1 88 88 LEU CA C 13 52.890 0.071 . 1 . . 618 . . 88 LEU CA . 19541 1
323 . 1 1 89 89 GLY H H 1 8.538 0.011 . 1 . . 2 . . 89 GLY H . 19541 1
324 . 1 1 89 89 GLY CA C 13 45.585 0.056 . 1 . . 1068 . . 89 GLY CA . 19541 1
325 . 1 1 89 89 GLY N N 15 107.473 0.009 . 1 . . 313 . . 89 GLY N . 19541 1
326 . 1 1 90 90 TYR H H 1 8.605 0.004 . 1 . . 466 . . 90 TYR H . 19541 1
327 . 1 1 90 90 TYR CA C 13 54.312 0.012 . 1 . . 819 . . 90 TYR CA . 19541 1
328 . 1 1 90 90 TYR CB C 13 38.381 0.016 . 1 . . 1136 . . 90 TYR CB . 19541 1
329 . 1 1 90 90 TYR N N 15 118.659 0.004 . 1 . . 467 . . 90 TYR N . 19541 1
330 . 1 1 91 91 LEU H H 1 9.331 0.003 . 1 . . 293 . . 91 LEU H . 19541 1
331 . 1 1 91 91 LEU CA C 13 54.370 0.016 . 1 . . 1071 . . 91 LEU CA . 19541 1
332 . 1 1 91 91 LEU CB C 13 41.917 0.016 . 1 . . 1135 . . 91 LEU CB . 19541 1
333 . 1 1 91 91 LEU N N 15 119.075 0.017 . 1 . . 294 . . 91 LEU N . 19541 1
334 . 1 1 92 92 HIS H H 1 7.904 0.012 . 1 . . 287 . . 92 HIS H . 19541 1
335 . 1 1 92 92 HIS CA C 13 55.403 0.063 . 1 . . 600 . . 92 HIS CA . 19541 1
336 . 1 1 92 92 HIS CB C 13 30.354 0.026 . 1 . . 601 . . 92 HIS CB . 19541 1
337 . 1 1 92 92 HIS N N 15 117.019 0.005 . 1 . . 288 . . 92 HIS N . 19541 1
338 . 1 1 93 93 ASP H H 1 8.422 0.005 . 1 . . 282 . . 93 ASP H . 19541 1
339 . 1 1 93 93 ASP CA C 13 53.628 0.07 . 1 . . 599 . . 93 ASP CA . 19541 1
340 . 1 1 93 93 ASP CB C 13 40.727 0.014 . 1 . . 590 . . 93 ASP CB . 19541 1
341 . 1 1 93 93 ASP N N 15 120.600 0.012 . 1 . . 283 . . 93 ASP N . 19541 1
342 . 1 1 94 94 ILE H H 1 8.101 0.007 . 1 . . 148 . . 94 ILE H . 19541 1
343 . 1 1 94 94 ILE CA C 13 60.472 0.004 . 1 . . 524 . . 94 ILE CA . 19541 1
344 . 1 1 94 94 ILE CB C 13 37.945 0.001 . 1 . . 597 . . 94 ILE CB . 19541 1
345 . 1 1 94 94 ILE N N 15 119.277 0.01 . 1 . . 165 . . 94 ILE N . 19541 1
346 . 1 1 95 95 ASP H H 1 8.368 0.002 . 1 . . 147 . . 95 ASP H . 19541 1
347 . 1 1 95 95 ASP CA C 13 53.941 0.013 . 1 . . 589 . . 95 ASP CA . 19541 1
348 . 1 1 95 95 ASP CB C 13 40.588 0.006 . 1 . . 591 . . 95 ASP CB . 19541 1
349 . 1 1 95 95 ASP N N 15 122.970 0.018 . 1 . . 149 . . 95 ASP N . 19541 1
350 . 1 1 96 96 SER H H 1 8.172 0.248 . 1 . . 270 . . 96 SER H . 19541 1
351 . 1 1 96 96 SER CA C 13 58.255 0.004 . 1 . . 592 . . 96 SER CA . 19541 1
352 . 1 1 96 96 SER CB C 13 63.126 0.008 . 1 . . 593 . . 96 SER CB . 19541 1
353 . 1 1 96 96 SER N N 15 115.637 1.22 . 1 . . 273 . . 96 SER N . 19541 1
354 . 1 1 97 97 GLY H H 1 8.428 0.01 . 1 . . 265 . . 97 GLY H . 19541 1
355 . 1 1 97 97 GLY CA C 13 44.969 0.011 . 1 . . 596 . . 97 GLY CA . 19541 1
356 . 1 1 97 97 GLY N N 15 110.664 0.003 . 1 . . 271 . . 97 GLY N . 19541 1
357 . 1 1 98 98 SER H H 1 7.860 0.017 . 1 . . 264 . . 98 SER H . 19541 1
358 . 1 1 98 98 SER CA C 13 59.284 0.076 . 1 . . 594 . . 98 SER CA . 19541 1
359 . 1 1 98 98 SER CB C 13 64.130 . . 1 . . 595 . . 98 SER CB . 19541 1
360 . 1 1 98 98 SER N N 15 122.173 2.069 . 1 . . 266 . . 98 SER N . 19541 1
stop_
save_