NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411469 |
2aqf   |
6781 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2aqf
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1674
_Distance_constraint_stats_list.Viol_count 87
_Distance_constraint_stats_list.Viol_total 39.083
_Distance_constraint_stats_list.Viol_max 6.811
_Distance_constraint_stats_list.Viol_rms 0.2689
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0233
_Distance_constraint_stats_list.Viol_average_violations_only 0.4492
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 SER 0.000 0.000 . 0 "[ ]"
1 5 GLY 0.000 0.000 . 0 "[ ]"
1 6 ARG 0.000 0.000 . 0 "[ ]"
1 7 ARG 0.000 0.000 . 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 ALA 0.090 0.063 1 0 "[ ]"
1 10 PRO 0.260 0.168 1 0 "[ ]"
1 11 PRO 0.179 0.176 1 0 "[ ]"
1 12 LEU 4.693 4.286 1 1 [+]
1 13 ASN 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.070 0.038 1 0 "[ ]"
1 15 THR 4.299 4.286 1 1 [+]
1 16 GLY 0.000 0.000 . 0 "[ ]"
1 17 LEU 0.402 0.211 1 0 "[ ]"
1 18 PRO 0.127 0.075 1 0 "[ ]"
1 19 GLY 0.000 0.000 . 0 "[ ]"
1 20 THR 0.004 0.004 1 0 "[ ]"
1 21 GLU 2.299 2.185 1 1 [+]
1 22 LYS 0.109 0.099 1 0 "[ ]"
1 23 LEU 0.339 0.173 1 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 25 GLU 0.269 0.269 1 0 "[ ]"
1 26 LYS 0.009 0.009 1 0 "[ ]"
1 27 GLU 0.002 0.002 1 0 "[ ]"
1 28 LYS 2.195 2.185 1 1 [+]
1 29 GLU 0.009 0.009 1 0 "[ ]"
1 30 LEU 0.004 0.002 1 0 "[ ]"
1 31 CYS 0.040 0.030 1 0 "[ ]"
1 32 GLN 0.000 0.000 . 0 "[ ]"
1 33 VAL 0.002 0.002 1 0 "[ ]"
1 34 VAL 0.282 0.221 1 0 "[ ]"
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.449 0.231 1 0 "[ ]"
1 37 VAL 0.342 0.211 1 0 "[ ]"
1 38 PRO 0.139 0.052 1 0 "[ ]"
1 39 GLY 0.009 0.009 1 0 "[ ]"
1 40 ALA 0.088 0.088 1 0 "[ ]"
1 41 TYR 0.412 0.218 1 0 "[ ]"
1 42 LEU 0.023 0.010 1 0 "[ ]"
1 43 GLU 0.022 0.022 1 0 "[ ]"
1 44 TYR 3.756 3.756 1 1 [+]
1 45 LYS 0.080 0.080 1 0 "[ ]"
1 46 SER 0.052 0.035 1 0 "[ ]"
1 47 ALA 1.429 1.253 1 1 [+]
1 48 LEU 1.404 1.253 1 1 [+]
1 49 LEU 0.009 0.009 1 0 "[ ]"
1 50 ASN 0.190 0.190 1 0 "[ ]"
1 51 GLU 0.472 0.321 1 0 "[ ]"
1 52 CYS 0.000 0.000 . 0 "[ ]"
1 53 HIS 0.190 0.190 1 0 "[ ]"
1 54 LYS 0.471 0.321 1 0 "[ ]"
1 55 GLN 1.209 0.896 1 1 [+]
1 56 GLY 0.000 0.000 . 0 "[ ]"
1 57 GLY 1.209 0.896 1 1 [+]
1 58 LEU 1.927 1.715 1 1 [+]
1 59 ARG 0.000 0.000 . 0 "[ ]"
1 60 LEU 2.013 1.997 1 1 [+]
1 61 ALA 2.001 1.997 1 1 [+]
1 62 GLN 0.000 0.000 . 0 "[ ]"
1 63 ALA 2.247 2.222 1 1 [+]
1 64 ARG 2.222 2.222 1 1 [+]
1 65 ALA 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.009 0.009 1 0 "[ ]"
1 67 ILE 0.231 0.223 1 0 "[ ]"
1 68 LYS 17.989 6.811 1 1 [+]
1 69 ILE 3.049 3.003 1 1 [+]
1 70 ASP 0.308 0.308 1 0 "[ ]"
1 71 VAL 1.442 0.989 1 1 [+]
1 72 ASN 0.308 0.308 1 0 "[ ]"
1 73 LYS 10.590 6.811 1 1 [+]
1 74 THR 1.448 0.989 1 1 [+]
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 76 LYS 0.199 0.133 1 0 "[ ]"
1 77 ILE 0.033 0.033 1 0 "[ ]"
1 78 TYR 0.000 0.000 . 0 "[ ]"
1 79 ASP 0.030 0.028 1 0 "[ ]"
1 80 PHE 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.116 0.080 1 0 "[ ]"
1 82 ILE 0.048 0.028 1 0 "[ ]"
1 83 ARG 0.206 0.205 1 0 "[ ]"
1 84 GLU 0.000 0.000 . 0 "[ ]"
1 85 GLY 0.000 0.000 . 0 "[ ]"
1 86 TYR 0.009 0.009 1 0 "[ ]"
1 87 ILE 0.036 0.036 1 0 "[ ]"
1 88 THR 1.941 1.715 1 1 [+]
1 89 LYS 0.046 0.027 1 0 "[ ]"
1 90 ALA 0.027 0.027 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 SER HA 1 4 SER HB2 2.700 . 4.200 3.040 3.040 3.040 . 0 0 "[ ]" 1
2 1 5 GLY HA3 1 6 ARG H 3.100 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
3 1 5 GLY HA3 1 21 GLU HG3 2.600 . 4.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
4 1 6 ARG H 1 6 ARG HB2 3.200 . 5.200 2.233 2.233 2.233 . 0 0 "[ ]" 1
5 1 6 ARG H 1 6 ARG HG2 4.900 . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
6 1 6 ARG HA 1 6 ARG HB2 2.800 . 4.400 2.888 2.888 2.888 . 0 0 "[ ]" 1
7 1 6 ARG HA 1 6 ARG HB3 2.400 . 3.600 2.850 2.850 2.850 . 0 0 "[ ]" 1
8 1 6 ARG HA 1 6 ARG HG2 2.400 . 3.600 3.519 3.519 3.519 . 0 0 "[ ]" 1
9 1 7 ARG H 1 7 ARG HB2 3.400 . 5.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
10 1 7 ARG H 1 7 ARG HG2 4.700 . 5.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
11 1 7 ARG H 1 8 SER H 3.800 . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
12 1 7 ARG HA 1 7 ARG HG2 2.900 . 4.600 2.067 2.067 2.067 . 0 0 "[ ]" 1
13 1 8 SER H 1 8 SER HB2 3.200 . 5.200 2.573 2.573 2.573 . 0 0 "[ ]" 1
14 1 8 SER HA 1 8 SER HB2 2.200 . 3.200 2.501 2.501 2.501 . 0 0 "[ ]" 1
15 1 8 SER HA 1 9 ALA H 2.700 . 4.200 3.211 3.211 3.211 . 0 0 "[ ]" 1
16 1 8 SER HB2 1 9 ALA H 3.300 . 5.500 4.418 4.418 4.418 . 0 0 "[ ]" 1
17 1 9 ALA H 1 9 ALA MB 2.700 . 4.200 2.855 2.855 2.855 . 0 0 "[ ]" 1
18 1 9 ALA HA 1 9 ALA MB 2.100 . 3.000 2.123 2.123 2.123 . 0 0 "[ ]" 1
19 1 9 ALA HA 1 10 PRO HD2 2.000 . 2.800 2.524 2.524 2.524 . 0 0 "[ ]" 1
20 1 9 ALA HA 1 10 PRO HD3 2.100 . 3.000 1.940 1.940 1.940 . 0 0 "[ ]" 1
21 1 9 ALA HA 1 10 PRO HG2 3.300 . 5.500 4.409 4.409 4.409 . 0 0 "[ ]" 1
22 1 9 ALA MB 1 10 PRO HD2 2.300 . 3.400 3.463 3.463 3.463 0.063 1 0 "[ ]" 1
23 1 9 ALA MB 1 10 PRO HD3 2.400 . 3.600 3.627 3.627 3.627 0.027 1 0 "[ ]" 1
24 1 10 PRO HA 1 10 PRO HB2 2.300 . 3.400 2.931 2.931 2.931 . 0 0 "[ ]" 1
25 1 10 PRO HA 1 10 PRO HB3 2.400 . 3.600 2.288 2.288 2.288 . 0 0 "[ ]" 1
26 1 10 PRO HA 1 10 PRO HG2 2.800 . 4.400 4.048 4.048 4.048 . 0 0 "[ ]" 1
27 1 10 PRO HA 1 11 PRO HD2 2.100 . 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 1
28 1 10 PRO HA 1 11 PRO HD3 2.100 . 3.000 2.038 2.038 2.038 . 0 0 "[ ]" 1
29 1 10 PRO HA 1 11 PRO HG3 2.400 . 4.500 4.128 4.128 4.128 . 0 0 "[ ]" 1
30 1 10 PRO HB2 1 10 PRO HD2 2.200 . 3.200 3.141 3.141 3.141 . 0 0 "[ ]" 1
31 1 10 PRO HB2 1 10 PRO HD3 2.500 . 3.800 3.968 3.968 3.968 0.168 1 0 "[ ]" 1
32 1 10 PRO HB2 1 10 PRO HG2 2.400 . 3.600 2.270 2.270 2.270 . 0 0 "[ ]" 1
33 1 10 PRO HB2 1 11 PRO HD2 2.400 . 4.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
34 1 10 PRO HB3 1 10 PRO HD2 2.600 . 4.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
35 1 10 PRO HB3 1 10 PRO HD3 2.400 . 4.500 3.974 3.974 3.974 . 0 0 "[ ]" 1
36 1 10 PRO HD2 1 10 PRO HG2 2.000 . 2.800 2.299 2.299 2.299 . 0 0 "[ ]" 1
37 1 10 PRO HD3 1 10 PRO HG2 2.000 . 2.800 2.710 2.710 2.710 . 0 0 "[ ]" 1
38 1 11 PRO HA 1 11 PRO HB3 2.400 . 3.600 2.296 2.296 2.296 . 0 0 "[ ]" 1
39 1 11 PRO HA 1 11 PRO HD2 3.400 . 5.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
40 1 11 PRO HA 1 11 PRO HD3 3.300 . 5.500 3.733 3.733 3.733 . 0 0 "[ ]" 1
41 1 11 PRO HA 1 11 PRO HG3 2.400 . 3.600 3.202 3.202 3.202 . 0 0 "[ ]" 1
42 1 11 PRO HA 1 12 LEU H 2.200 . 3.200 2.515 2.515 2.515 . 0 0 "[ ]" 1
43 1 11 PRO HB2 1 12 LEU H 3.600 . 5.500 2.774 2.774 2.774 . 0 0 "[ ]" 1
44 1 11 PRO HB3 1 11 PRO HD3 3.200 . 5.200 3.976 3.976 3.976 . 0 0 "[ ]" 1
45 1 11 PRO HB3 1 11 PRO HG3 2.300 . 3.400 2.277 2.277 2.277 . 0 0 "[ ]" 1
46 1 11 PRO HB3 1 12 LEU H 3.000 . 4.800 2.758 2.758 2.758 . 0 0 "[ ]" 1
47 1 11 PRO HD2 1 11 PRO HG3 2.100 . 3.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
48 1 11 PRO HD2 1 12 LEU H 3.300 . 5.500 5.195 5.195 5.195 . 0 0 "[ ]" 1
49 1 11 PRO HD3 1 11 PRO HG3 2.100 . 3.000 2.280 2.280 2.280 . 0 0 "[ ]" 1
50 1 11 PRO HD3 1 12 LEU H 5.300 . 5.500 5.676 5.676 5.676 0.176 1 0 "[ ]" 1
51 1 11 PRO HG3 1 12 LEU H 4.300 . 5.500 4.771 4.771 4.771 . 0 0 "[ ]" 1
52 1 12 LEU H 1 12 LEU HA 2.700 . 4.200 2.358 2.358 2.358 . 0 0 "[ ]" 1
53 1 12 LEU H 1 12 LEU QB 2.600 . 3.800 2.864 2.864 2.864 . 0 0 "[ ]" 1
54 1 12 LEU H 1 12 LEU MD1 4.500 . 5.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
55 1 12 LEU H 1 12 LEU MD2 4.700 . 5.500 4.702 4.702 4.702 . 0 0 "[ ]" 1
56 1 12 LEU H 1 15 THR HB 2.800 . 4.500 8.786 8.786 8.786 4.286 1 1 [+] 1
57 1 12 LEU HA 1 12 LEU QB 2.300 . 3.400 2.553 2.553 2.553 . 0 0 "[ ]" 1
58 1 12 LEU HA 1 12 LEU MD1 2.300 . 3.400 3.240 3.240 3.240 . 0 0 "[ ]" 1
59 1 12 LEU HA 1 12 LEU MD2 2.200 . 3.200 3.145 3.145 3.145 . 0 0 "[ ]" 1
60 1 12 LEU HA 1 12 LEU HG 2.400 . 3.600 1.921 1.921 1.921 . 0 0 "[ ]" 1
61 1 12 LEU HA 1 13 ASN H 2.300 . 3.400 2.739 2.739 2.739 . 0 0 "[ ]" 1
62 1 12 LEU QB 1 12 LEU MD1 2.300 . 3.200 2.054 2.054 2.054 . 0 0 "[ ]" 1
63 1 12 LEU QB 1 12 LEU MD2 2.400 . 3.600 1.990 1.990 1.990 . 0 0 "[ ]" 1
64 1 12 LEU QB 1 12 LEU HG 2.300 . 3.400 2.548 2.548 2.548 . 0 0 "[ ]" 1
65 1 12 LEU QB 1 13 ASN H 3.500 . 5.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
66 1 12 LEU QB 1 32 GLN HA 2.600 . 4.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
67 1 12 LEU QB 1 35 ARG H 3.400 . 5.500 4.659 4.659 4.659 . 0 0 "[ ]" 1
68 1 12 LEU QB 1 35 ARG HA 2.400 . 3.600 3.486 3.486 3.486 . 0 0 "[ ]" 1
69 1 12 LEU MD1 1 12 LEU MD2 2.600 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
70 1 12 LEU MD1 1 12 LEU HG 2.200 . 3.200 2.144 2.144 2.144 . 0 0 "[ ]" 1
71 1 12 LEU MD1 1 32 GLN HA 3.600 . 5.500 3.706 3.706 3.706 . 0 0 "[ ]" 1
72 1 12 LEU MD1 1 35 ARG H 3.500 . 5.500 3.420 3.420 3.420 . 0 0 "[ ]" 1
73 1 12 LEU MD1 1 35 ARG HA 2.500 . 3.800 3.084 3.084 3.084 . 0 0 "[ ]" 1
74 1 12 LEU MD1 1 35 ARG HB3 3.400 . 5.500 3.728 3.728 3.728 . 0 0 "[ ]" 1
75 1 12 LEU MD1 1 36 LEU H 3.100 . 5.000 5.231 5.231 5.231 0.231 1 0 "[ ]" 1
76 1 12 LEU MD2 1 12 LEU HG 2.400 . 3.600 2.134 2.134 2.134 . 0 0 "[ ]" 1
77 1 12 LEU MD2 1 13 ASN H 3.000 . 4.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
78 1 12 LEU MD2 1 32 GLN HB3 5.500 . 5.500 5.142 5.142 5.142 . 0 0 "[ ]" 1
79 1 12 LEU MD2 1 35 ARG H 4.100 . 5.500 3.625 3.625 3.625 . 0 0 "[ ]" 1
80 1 12 LEU MD2 1 36 LEU H 4.200 . 5.500 4.185 4.185 4.185 . 0 0 "[ ]" 1
81 1 12 LEU HG 1 13 ASN H 3.800 . 5.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
82 1 13 ASN H 1 13 ASN HA 2.900 . 4.600 2.945 2.945 2.945 . 0 0 "[ ]" 1
83 1 13 ASN H 1 13 ASN HB2 2.700 . 4.200 1.994 1.994 1.994 . 0 0 "[ ]" 1
84 1 13 ASN H 1 13 ASN HB3 2.700 . 4.200 3.273 3.273 3.273 . 0 0 "[ ]" 1
85 1 13 ASN HA 1 13 ASN HB2 2.300 . 3.400 2.926 2.926 2.926 . 0 0 "[ ]" 1
86 1 13 ASN HA 1 13 ASN HB3 2.400 . 3.600 2.801 2.801 2.801 . 0 0 "[ ]" 1
87 1 13 ASN HA 1 14 LEU H 2.300 . 3.400 2.282 2.282 2.282 . 0 0 "[ ]" 1
88 1 13 ASN HA 1 15 THR H 3.100 . 5.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
89 1 13 ASN HB2 1 14 LEU H 3.400 . 5.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
90 1 13 ASN HB3 1 14 LEU H 4.100 . 5.500 4.091 4.091 4.091 . 0 0 "[ ]" 1
91 1 13 ASN HB3 1 15 THR H 4.600 . 5.500 5.362 5.362 5.362 . 0 0 "[ ]" 1
92 1 14 LEU H 1 14 LEU HA 2.800 . 4.400 2.870 2.870 2.870 . 0 0 "[ ]" 1
93 1 14 LEU H 1 14 LEU HB2 2.400 . 3.600 3.077 3.077 3.077 . 0 0 "[ ]" 1
94 1 14 LEU H 1 14 LEU MD1 3.300 . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
95 1 14 LEU H 1 14 LEU MD2 3.200 . 5.200 4.914 4.914 4.914 . 0 0 "[ ]" 1
96 1 14 LEU H 1 15 THR H 2.800 . 4.400 2.114 2.114 2.114 . 0 0 "[ ]" 1
97 1 14 LEU H 1 15 THR MG 4.200 . 5.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
98 1 14 LEU H 1 32 GLN HG2 4.800 . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
99 1 14 LEU HA 1 14 LEU HB2 2.200 . 3.200 2.785 2.785 2.785 . 0 0 "[ ]" 1
100 1 14 LEU HA 1 14 LEU MD1 2.100 . 3.000 2.739 2.739 2.739 . 0 0 "[ ]" 1
101 1 14 LEU HA 1 14 LEU MD2 2.600 . 4.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
102 1 14 LEU HA 1 14 LEU HG 2.300 . 3.400 2.077 2.077 2.077 . 0 0 "[ ]" 1
103 1 14 LEU HA 1 15 THR H 2.800 . 4.400 2.848 2.848 2.848 . 0 0 "[ ]" 1
104 1 14 LEU HA 1 17 LEU MD1 2.100 . 3.000 1.915 1.915 1.915 . 0 0 "[ ]" 1
105 1 14 LEU HA 1 17 LEU MD2 3.800 . 5.500 4.065 4.065 4.065 . 0 0 "[ ]" 1
106 1 14 LEU HB2 1 14 LEU MD1 2.300 . 3.400 1.951 1.951 1.951 . 0 0 "[ ]" 1
107 1 14 LEU HB2 1 14 LEU MD2 2.100 . 3.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
108 1 14 LEU HB2 1 15 THR H 2.900 . 4.600 4.445 4.445 4.445 . 0 0 "[ ]" 1
109 1 14 LEU HB2 1 15 THR MG 2.200 . 4.500 4.514 4.514 4.514 0.014 1 0 "[ ]" 1
110 1 14 LEU HB2 1 32 GLN QG 2.600 . 4.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
111 1 14 LEU MD1 1 14 LEU HG 2.300 . 3.400 2.116 2.116 2.116 . 0 0 "[ ]" 1
112 1 14 LEU MD1 1 31 CYS HB2 2.700 . 4.200 3.971 3.971 3.971 . 0 0 "[ ]" 1
113 1 14 LEU MD1 1 31 CYS HB3 2.500 . 3.800 2.731 2.731 2.731 . 0 0 "[ ]" 1
114 1 14 LEU MD1 1 32 GLN H 3.800 . 5.500 4.575 4.575 4.575 . 0 0 "[ ]" 1
115 1 14 LEU MD1 1 32 GLN HA 3.400 . 5.500 3.744 3.744 3.744 . 0 0 "[ ]" 1
116 1 14 LEU MD1 1 32 GLN HG2 2.900 . 4.600 4.300 4.300 4.300 . 0 0 "[ ]" 1
117 1 14 LEU MD1 1 32 GLN HG3 3.600 . 5.500 3.798 3.798 3.798 . 0 0 "[ ]" 1
118 1 14 LEU MD1 1 38 PRO HD2 2.400 . 3.600 3.507 3.507 3.507 . 0 0 "[ ]" 1
119 1 14 LEU MD1 1 38 PRO HD3 2.500 . 3.800 1.957 1.957 1.957 . 0 0 "[ ]" 1
120 1 14 LEU MD2 1 14 LEU HG 2.200 . 3.200 2.127 2.127 2.127 . 0 0 "[ ]" 1
121 1 14 LEU MD2 1 28 LYS HA 2.400 . 3.600 3.099 3.099 3.099 . 0 0 "[ ]" 1
122 1 14 LEU MD2 1 31 CYS HB2 2.500 . 3.800 2.812 2.812 2.812 . 0 0 "[ ]" 1
123 1 14 LEU MD2 1 31 CYS HB3 2.700 . 4.200 2.438 2.438 2.438 . 0 0 "[ ]" 1
124 1 14 LEU MD2 1 32 GLN H 3.000 . 4.800 3.391 3.391 3.391 . 0 0 "[ ]" 1
125 1 14 LEU MD2 1 32 GLN HA 2.900 . 4.600 3.601 3.601 3.601 . 0 0 "[ ]" 1
126 1 14 LEU MD2 1 32 GLN HG3 2.300 . 3.400 2.010 2.010 2.010 . 0 0 "[ ]" 1
127 1 14 LEU HG 1 20 THR MG 2.300 . 3.400 3.084 3.084 3.084 . 0 0 "[ ]" 1
128 1 14 LEU HG 1 23 LEU MD1 2.200 . 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1
129 1 14 LEU HG 1 38 PRO HD2 2.200 . 4.500 4.538 4.538 4.538 0.038 1 0 "[ ]" 1
130 1 15 THR H 1 15 THR HA 2.700 . 4.200 2.985 2.985 2.985 . 0 0 "[ ]" 1
131 1 15 THR H 1 15 THR HB 2.600 . 4.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
132 1 15 THR H 1 15 THR MG 2.900 . 4.600 2.303 2.303 2.303 . 0 0 "[ ]" 1
133 1 15 THR H 1 16 GLY H 4.700 . 5.500 2.152 2.152 2.152 . 0 0 "[ ]" 1
134 1 15 THR HA 1 15 THR HB 2.200 . 3.200 2.469 2.469 2.469 . 0 0 "[ ]" 1
135 1 15 THR HA 1 15 THR MG 2.100 . 4.500 2.362 2.362 2.362 . 0 0 "[ ]" 1
136 1 15 THR HA 1 20 THR MG 2.700 . 4.200 3.106 3.106 3.106 . 0 0 "[ ]" 1
137 1 15 THR HB 1 15 THR MG 2.000 . 2.800 2.150 2.150 2.150 . 0 0 "[ ]" 1
138 1 15 THR HB 1 16 GLY H 3.400 . 5.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
139 1 15 THR MG 1 16 GLY H 2.900 . 4.600 3.741 3.741 3.741 . 0 0 "[ ]" 1
140 1 16 GLY H 1 16 GLY HA2 2.700 . 4.200 2.981 2.981 2.981 . 0 0 "[ ]" 1
141 1 16 GLY H 1 16 GLY HA3 2.800 . 4.400 2.610 2.610 2.610 . 0 0 "[ ]" 1
142 1 16 GLY H 1 17 LEU H 2.800 . 4.400 2.177 2.177 2.177 . 0 0 "[ ]" 1
143 1 16 GLY HA2 1 17 LEU H 2.800 . 4.400 3.065 3.065 3.065 . 0 0 "[ ]" 1
144 1 16 GLY HA3 1 17 LEU H 2.700 . 4.200 3.477 3.477 3.477 . 0 0 "[ ]" 1
145 1 17 LEU H 1 17 LEU HB2 2.500 . 3.800 2.186 2.186 2.186 . 0 0 "[ ]" 1
146 1 17 LEU H 1 17 LEU HB3 3.700 . 5.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
147 1 17 LEU H 1 17 LEU MD2 2.700 . 4.200 3.525 3.525 3.525 . 0 0 "[ ]" 1
148 1 17 LEU H 1 17 LEU HG 2.200 . 3.200 2.489 2.489 2.489 . 0 0 "[ ]" 1
149 1 17 LEU H 1 18 PRO HD3 3.200 . 5.200 5.141 5.141 5.141 . 0 0 "[ ]" 1
150 1 17 LEU HA 1 17 LEU HB2 2.600 . 4.000 3.028 3.028 3.028 . 0 0 "[ ]" 1
151 1 17 LEU HA 1 17 LEU HB3 2.400 . 3.600 2.608 2.608 2.608 . 0 0 "[ ]" 1
152 1 17 LEU HA 1 17 LEU MD1 3.000 . 4.800 3.741 3.741 3.741 . 0 0 "[ ]" 1
153 1 17 LEU HA 1 17 LEU MD2 2.100 . 3.000 1.924 1.924 1.924 . 0 0 "[ ]" 1
154 1 17 LEU HA 1 17 LEU HG 3.100 . 5.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
155 1 17 LEU HA 1 18 PRO HD2 2.300 . 3.400 2.604 2.604 2.604 . 0 0 "[ ]" 1
156 1 17 LEU HA 1 18 PRO HD3 2.300 . 3.400 2.392 2.392 2.392 . 0 0 "[ ]" 1
157 1 17 LEU HA 1 18 PRO HG2 3.500 . 5.500 4.661 4.661 4.661 . 0 0 "[ ]" 1
158 1 17 LEU HB2 1 17 LEU MD1 2.300 . 3.400 2.359 2.359 2.359 . 0 0 "[ ]" 1
159 1 17 LEU HB2 1 17 LEU MD2 2.100 . 3.000 3.191 3.191 3.191 0.191 1 0 "[ ]" 1
160 1 17 LEU HB2 1 18 PRO HD2 3.200 . 5.200 3.560 3.560 3.560 . 0 0 "[ ]" 1
161 1 17 LEU HB2 1 18 PRO HD3 3.200 . 5.200 4.644 4.644 4.644 . 0 0 "[ ]" 1
162 1 17 LEU HB2 1 38 PRO HD3 3.300 . 5.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
163 1 17 LEU HB3 1 17 LEU MD1 2.300 . 3.400 2.347 2.347 2.347 . 0 0 "[ ]" 1
164 1 17 LEU HB3 1 17 LEU MD2 2.500 . 3.800 2.332 2.332 2.332 . 0 0 "[ ]" 1
165 1 17 LEU HB3 1 17 LEU HG 2.300 . 3.400 3.028 3.028 3.028 . 0 0 "[ ]" 1
166 1 17 LEU HB3 1 18 PRO HD2 2.500 . 3.800 1.916 1.916 1.916 . 0 0 "[ ]" 1
167 1 17 LEU HB3 1 18 PRO HD3 2.400 . 3.600 3.354 3.354 3.354 . 0 0 "[ ]" 1
168 1 17 LEU MD1 1 17 LEU HG 2.100 . 3.000 2.151 2.151 2.151 . 0 0 "[ ]" 1
169 1 17 LEU MD1 1 37 VAL HB 3.000 . 4.800 5.011 5.011 5.011 0.211 1 0 "[ ]" 1
170 1 17 LEU MD1 1 38 PRO HD2 2.200 . 3.200 2.737 2.737 2.737 . 0 0 "[ ]" 1
171 1 17 LEU MD1 1 38 PRO HD3 2.500 . 3.800 2.194 2.194 2.194 . 0 0 "[ ]" 1
172 1 17 LEU MD2 1 17 LEU HG 2.200 . 3.200 2.119 2.119 2.119 . 0 0 "[ ]" 1
173 1 17 LEU MD2 1 18 PRO HD2 2.400 . 3.600 2.020 2.020 2.020 . 0 0 "[ ]" 1
174 1 17 LEU MD2 1 18 PRO HD3 2.400 . 3.600 2.463 2.463 2.463 . 0 0 "[ ]" 1
175 1 18 PRO HA 1 18 PRO HB3 2.400 . 3.600 2.342 2.342 2.342 . 0 0 "[ ]" 1
176 1 18 PRO HA 1 18 PRO HD2 3.500 . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
177 1 18 PRO HA 1 18 PRO HD3 4.000 . 5.500 3.625 3.625 3.625 . 0 0 "[ ]" 1
178 1 18 PRO HA 1 19 GLY H 2.400 . 3.600 2.307 2.307 2.307 . 0 0 "[ ]" 1
179 1 18 PRO HA 1 20 THR H 3.300 . 5.500 4.153 4.153 4.153 . 0 0 "[ ]" 1
180 1 18 PRO HA 1 21 GLU HB3 3.100 . 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
181 1 18 PRO HB2 1 18 PRO HD2 3.500 . 5.500 4.053 4.053 4.053 . 0 0 "[ ]" 1
182 1 18 PRO HB2 1 18 PRO HD3 3.300 . 5.500 3.901 3.901 3.901 . 0 0 "[ ]" 1
183 1 18 PRO HB2 1 18 PRO HG2 2.300 . 3.400 2.326 2.326 2.326 . 0 0 "[ ]" 1
184 1 18 PRO HB2 1 19 GLY H 3.100 . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
185 1 18 PRO HB3 1 18 PRO HD3 3.300 . 5.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
186 1 18 PRO HB3 1 19 GLY H 3.200 . 5.200 4.463 4.463 4.463 . 0 0 "[ ]" 1
187 1 18 PRO HD2 1 18 PRO HG2 2.200 . 3.200 2.294 2.294 2.294 . 0 0 "[ ]" 1
188 1 18 PRO HD3 1 18 PRO HG2 2.200 . 3.200 2.984 2.984 2.984 . 0 0 "[ ]" 1
189 1 18 PRO HG2 1 19 GLY H 3.200 . 5.200 4.934 4.934 4.934 . 0 0 "[ ]" 1
190 1 18 PRO HG2 1 38 PRO HD3 3.200 . 5.200 5.252 5.252 5.252 0.052 1 0 "[ ]" 1
191 1 18 PRO HG2 1 38 PRO HG2 2.300 . 4.500 3.464 3.464 3.464 . 0 0 "[ ]" 1
192 1 19 GLY H 1 19 GLY HA2 2.600 . 4.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
193 1 19 GLY H 1 19 GLY HA3 2.500 . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
194 1 19 GLY H 1 20 THR H 2.900 . 4.600 2.521 2.521 2.521 . 0 0 "[ ]" 1
195 1 19 GLY HA2 1 20 THR H 2.900 . 4.600 3.545 3.545 3.545 . 0 0 "[ ]" 1
196 1 19 GLY HA2 1 22 LYS H 4.200 . 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
197 1 19 GLY HA2 1 39 GLY H 4.600 . 5.500 4.915 4.915 4.915 . 0 0 "[ ]" 1
198 1 19 GLY HA2 1 42 LEU MD1 2.600 . 4.000 2.833 2.833 2.833 . 0 0 "[ ]" 1
199 1 19 GLY HA3 1 20 THR H 3.000 . 4.800 2.917 2.917 2.917 . 0 0 "[ ]" 1
200 1 19 GLY HA3 1 21 GLU H 4.700 . 5.500 4.380 4.380 4.380 . 0 0 "[ ]" 1
201 1 19 GLY HA3 1 22 LYS H 3.400 . 5.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
202 1 19 GLY HA3 1 42 LEU MD1 3.100 . 5.000 2.245 2.245 2.245 . 0 0 "[ ]" 1
203 1 20 THR H 1 20 THR HA 2.800 . 4.400 2.819 2.819 2.819 . 0 0 "[ ]" 1
204 1 20 THR H 1 20 THR HB 2.700 . 4.200 2.730 2.730 2.730 . 0 0 "[ ]" 1
205 1 20 THR H 1 20 THR MG 2.900 . 4.600 3.648 3.648 3.648 . 0 0 "[ ]" 1
206 1 20 THR H 1 21 GLU H 3.000 . 4.800 2.725 2.725 2.725 . 0 0 "[ ]" 1
207 1 20 THR H 1 23 LEU MD1 3.900 . 5.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
208 1 20 THR H 1 23 LEU HG 4.400 . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
209 1 20 THR H 1 38 PRO HB2 3.000 . 4.800 2.947 2.947 2.947 . 0 0 "[ ]" 1
210 1 20 THR H 1 38 PRO HG2 3.400 . 5.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
211 1 20 THR H 1 38 PRO HG3 3.600 . 5.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
212 1 20 THR HA 1 20 THR HB 2.300 . 3.400 3.029 3.029 3.029 . 0 0 "[ ]" 1
213 1 20 THR HA 1 20 THR MG 2.100 . 3.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
214 1 20 THR HA 1 21 GLU H 3.300 . 5.500 3.507 3.507 3.507 . 0 0 "[ ]" 1
215 1 20 THR HA 1 23 LEU HB2 3.100 . 5.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
216 1 20 THR HA 1 23 LEU HB3 3.300 . 5.500 3.420 3.420 3.420 . 0 0 "[ ]" 1
217 1 20 THR HA 1 23 LEU MD1 2.300 . 3.400 1.886 1.886 1.886 . 0 0 "[ ]" 1
218 1 20 THR HA 1 23 LEU MD2 3.400 . 5.500 3.739 3.739 3.739 . 0 0 "[ ]" 1
219 1 20 THR HA 1 23 LEU HG 2.400 . 3.600 2.224 2.224 2.224 . 0 0 "[ ]" 1
220 1 20 THR HA 1 38 PRO HB2 3.000 . 4.800 4.615 4.615 4.615 . 0 0 "[ ]" 1
221 1 20 THR HA 1 38 PRO HG2 3.300 . 5.500 4.855 4.855 4.855 . 0 0 "[ ]" 1
222 1 20 THR HB 1 20 THR MG 2.000 . 2.800 2.150 2.150 2.150 . 0 0 "[ ]" 1
223 1 20 THR HB 1 21 GLU H 3.000 . 4.800 2.747 2.747 2.747 . 0 0 "[ ]" 1
224 1 20 THR HB 1 22 LYS H 3.500 . 5.500 4.759 4.759 4.759 . 0 0 "[ ]" 1
225 1 20 THR HB 1 23 LEU H 3.300 . 5.500 5.047 5.047 5.047 . 0 0 "[ ]" 1
226 1 20 THR MG 1 21 GLU H 3.600 . 5.500 3.895 3.895 3.895 . 0 0 "[ ]" 1
227 1 20 THR MG 1 21 GLU HA 2.700 . 4.200 4.204 4.204 4.204 0.004 1 0 "[ ]" 1
228 1 20 THR MG 1 23 LEU H 4.300 . 5.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
229 1 20 THR MG 1 28 LYS HE2 3.100 . 5.000 3.347 3.347 3.347 . 0 0 "[ ]" 1
230 1 20 THR MG 1 28 LYS HE3 2.500 . 3.800 3.216 3.216 3.216 . 0 0 "[ ]" 1
231 1 21 GLU H 1 21 GLU HB3 2.800 . 4.400 2.237 2.237 2.237 . 0 0 "[ ]" 1
232 1 21 GLU H 1 21 GLU HG2 3.600 . 5.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
233 1 21 GLU H 1 22 LYS H 2.900 . 4.600 2.674 2.674 2.674 . 0 0 "[ ]" 1
234 1 21 GLU HA 1 21 GLU HB3 2.100 . 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 1
235 1 21 GLU HA 1 21 GLU HG2 2.700 . 4.200 3.553 3.553 3.553 . 0 0 "[ ]" 1
236 1 21 GLU HA 1 21 GLU HG3 2.500 . 3.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
237 1 21 GLU HA 1 28 LYS QG 2.800 . 4.400 6.585 6.585 6.585 2.185 1 1 [+] 1
238 1 21 GLU HB3 1 21 GLU HG2 2.300 . 3.400 2.330 2.330 2.330 . 0 0 "[ ]" 1
239 1 21 GLU HB3 1 21 GLU HG3 2.500 . 3.800 3.003 3.003 3.003 . 0 0 "[ ]" 1
240 1 21 GLU HG2 1 22 LYS H 3.700 . 5.500 3.960 3.960 3.960 . 0 0 "[ ]" 1
241 1 21 GLU HG3 1 22 LYS HG2 2.900 . 4.600 4.469 4.469 4.469 . 0 0 "[ ]" 1
242 1 22 LYS H 1 22 LYS HA 2.600 . 4.000 2.995 2.995 2.995 . 0 0 "[ ]" 1
243 1 22 LYS H 1 22 LYS HB2 2.600 . 4.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
244 1 22 LYS H 1 22 LYS HB3 2.500 . 3.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
245 1 22 LYS H 1 22 LYS HD2 3.200 . 5.200 4.893 4.893 4.893 . 0 0 "[ ]" 1
246 1 22 LYS H 1 22 LYS HE3 4.500 . 5.500 5.424 5.424 5.424 . 0 0 "[ ]" 1
247 1 22 LYS H 1 22 LYS HG2 2.700 . 4.200 3.687 3.687 3.687 . 0 0 "[ ]" 1
248 1 22 LYS H 1 23 LEU H 2.500 . 3.800 2.000 2.000 2.000 . 0 0 "[ ]" 1
249 1 22 LYS H 1 23 LEU HA 4.600 . 5.500 4.672 4.672 4.672 . 0 0 "[ ]" 1
250 1 22 LYS H 1 23 LEU MD2 3.000 . 4.800 4.705 4.705 4.705 . 0 0 "[ ]" 1
251 1 22 LYS HA 1 22 LYS HB2 2.200 . 3.200 3.024 3.024 3.024 . 0 0 "[ ]" 1
252 1 22 LYS HA 1 22 LYS HB3 2.300 . 3.400 2.612 2.612 2.612 . 0 0 "[ ]" 1
253 1 22 LYS HA 1 22 LYS HG2 2.300 . 3.400 2.139 2.139 2.139 . 0 0 "[ ]" 1
254 1 22 LYS HA 1 23 LEU H 2.700 . 4.200 3.494 3.494 3.494 . 0 0 "[ ]" 1
255 1 22 LYS HA 1 42 LEU MD2 3.300 . 5.500 5.241 5.241 5.241 . 0 0 "[ ]" 1
256 1 22 LYS HB2 1 22 LYS HG2 2.100 . 3.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
257 1 22 LYS HB2 1 42 LEU MD2 2.600 . 4.000 3.010 3.010 3.010 . 0 0 "[ ]" 1
258 1 22 LYS HB3 1 22 LYS HG2 2.200 . 3.200 2.703 2.703 2.703 . 0 0 "[ ]" 1
259 1 22 LYS HB3 1 42 LEU MD2 2.400 . 3.600 3.154 3.154 3.154 . 0 0 "[ ]" 1
260 1 22 LYS HE3 1 22 LYS HG2 2.300 . 3.400 2.755 2.755 2.755 . 0 0 "[ ]" 1
261 1 22 LYS HE3 1 42 LEU MD2 3.300 . 5.500 5.510 5.510 5.510 0.010 1 0 "[ ]" 1
262 1 22 LYS HG2 1 23 LEU H 3.000 . 4.800 4.899 4.899 4.899 0.099 1 0 "[ ]" 1
263 1 22 LYS HG2 1 42 LEU MD2 3.200 . 5.200 5.175 5.175 5.175 . 0 0 "[ ]" 1
264 1 23 LEU H 1 23 LEU HA 2.700 . 4.200 2.809 2.809 2.809 . 0 0 "[ ]" 1
265 1 23 LEU H 1 23 LEU HB2 2.400 . 3.600 2.291 2.291 2.291 . 0 0 "[ ]" 1
266 1 23 LEU H 1 23 LEU HB3 2.800 . 4.400 3.521 3.521 3.521 . 0 0 "[ ]" 1
267 1 23 LEU H 1 23 LEU QD 2.600 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
268 1 23 LEU H 1 23 LEU HG 2.900 . 4.600 2.229 2.229 2.229 . 0 0 "[ ]" 1
269 1 23 LEU H 1 24 ASN H 4.300 . 5.500 4.569 4.569 4.569 . 0 0 "[ ]" 1
270 1 23 LEU HA 1 23 LEU HB2 2.400 . 3.600 3.031 3.031 3.031 . 0 0 "[ ]" 1
271 1 23 LEU HA 1 23 LEU HB3 2.300 . 3.400 2.593 2.593 2.593 . 0 0 "[ ]" 1
272 1 23 LEU HA 1 23 LEU MD1 2.900 . 4.600 3.754 3.754 3.754 . 0 0 "[ ]" 1
273 1 23 LEU HA 1 23 LEU MD2 2.200 . 3.200 1.938 1.938 1.938 . 0 0 "[ ]" 1
274 1 23 LEU HA 1 23 LEU HG 2.800 . 4.400 2.926 2.926 2.926 . 0 0 "[ ]" 1
275 1 23 LEU HA 1 24 ASN H 2.500 . 3.800 2.207 2.207 2.207 . 0 0 "[ ]" 1
276 1 23 LEU HB2 1 23 LEU MD1 2.100 . 3.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
277 1 23 LEU HB2 1 23 LEU MD2 2.300 . 3.400 3.188 3.188 3.188 . 0 0 "[ ]" 1
278 1 23 LEU HB2 1 27 GLU HB2 3.600 . 5.500 5.111 5.111 5.111 . 0 0 "[ ]" 1
279 1 23 LEU HB3 1 23 LEU MD1 2.100 . 3.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
280 1 23 LEU HB3 1 23 LEU MD2 2.600 . 4.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
281 1 23 LEU HB3 1 23 LEU HG 3.000 . 4.800 3.035 3.035 3.035 . 0 0 "[ ]" 1
282 1 23 LEU HB3 1 24 ASN H 2.900 . 4.600 3.559 3.559 3.559 . 0 0 "[ ]" 1
283 1 23 LEU HB3 1 27 GLU HB2 3.000 . 4.800 3.526 3.526 3.526 . 0 0 "[ ]" 1
284 1 23 LEU QD 1 28 LYS H 3.100 . 5.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
285 1 23 LEU QD 1 41 TYR HB2 3.600 . 5.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
286 1 23 LEU QD 1 41 TYR HB3 3.600 . 5.500 3.258 3.258 3.258 . 0 0 "[ ]" 1
287 1 23 LEU MD1 1 23 LEU HG 2.200 . 3.200 2.137 2.137 2.137 . 0 0 "[ ]" 1
288 1 23 LEU MD1 1 28 LYS HA 2.300 . 3.400 2.984 2.984 2.984 . 0 0 "[ ]" 1
289 1 23 LEU MD1 1 28 LYS HE2 3.400 . 5.500 4.537 4.537 4.537 . 0 0 "[ ]" 1
290 1 23 LEU MD1 1 38 PRO HA 2.600 . 4.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
291 1 23 LEU MD1 1 38 PRO HB2 2.300 . 3.400 3.449 3.449 3.449 0.049 1 0 "[ ]" 1
292 1 23 LEU MD1 1 41 TYR QD 3.200 . 5.200 4.602 4.602 4.602 . 0 0 "[ ]" 1
293 1 23 LEU MD1 1 41 TYR QE 3.800 . 5.500 5.673 5.673 5.673 0.173 1 0 "[ ]" 1
294 1 23 LEU MD2 1 23 LEU HG 2.000 . 2.800 2.117 2.117 2.117 . 0 0 "[ ]" 1
295 1 23 LEU MD2 1 24 ASN H 3.000 . 4.800 3.248 3.248 3.248 . 0 0 "[ ]" 1
296 1 23 LEU MD2 1 27 GLU HB2 2.600 . 4.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
297 1 23 LEU MD2 1 27 GLU HG2 3.300 . 5.500 4.877 4.877 4.877 . 0 0 "[ ]" 1
298 1 23 LEU MD2 1 38 PRO HA 2.400 . 3.600 2.810 2.810 2.810 . 0 0 "[ ]" 1
299 1 23 LEU HG 1 24 ASN H 4.300 . 5.500 5.066 5.066 5.066 . 0 0 "[ ]" 1
300 1 24 ASN H 1 24 ASN HB2 3.200 . 5.200 2.386 2.386 2.386 . 0 0 "[ ]" 1
301 1 24 ASN H 1 24 ASN HB3 2.800 . 4.400 3.526 3.526 3.526 . 0 0 "[ ]" 1
302 1 24 ASN H 1 25 GLU H 4.200 . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
303 1 24 ASN H 1 27 GLU H 3.700 . 5.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
304 1 24 ASN H 1 27 GLU HB2 3.200 . 5.200 2.532 2.532 2.532 . 0 0 "[ ]" 1
305 1 24 ASN H 1 27 GLU HG2 3.600 . 5.500 4.814 4.814 4.814 . 0 0 "[ ]" 1
306 1 24 ASN H 1 28 LYS H 4.600 . 5.500 4.043 4.043 4.043 . 0 0 "[ ]" 1
307 1 24 ASN HA 1 24 ASN HB2 2.300 . 3.400 3.042 3.042 3.042 . 0 0 "[ ]" 1
308 1 24 ASN HA 1 24 ASN HB3 2.400 . 3.600 2.490 2.490 2.490 . 0 0 "[ ]" 1
309 1 24 ASN HA 1 25 GLU H 2.700 . 4.200 2.480 2.480 2.480 . 0 0 "[ ]" 1
310 1 24 ASN HA 1 26 LYS H 3.900 . 5.500 4.141 4.141 4.141 . 0 0 "[ ]" 1
311 1 24 ASN HB2 1 25 GLU H 2.500 . 3.800 3.612 3.612 3.612 . 0 0 "[ ]" 1
312 1 24 ASN HB2 1 26 LYS H 3.300 . 5.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
313 1 24 ASN HB3 1 25 GLU H 2.900 . 4.600 2.527 2.527 2.527 . 0 0 "[ ]" 1
314 1 24 ASN HB3 1 26 LYS H 3.500 . 5.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
315 1 25 GLU H 1 25 GLU HA 2.800 . 4.400 2.853 2.853 2.853 . 0 0 "[ ]" 1
316 1 25 GLU H 1 25 GLU HB2 2.600 . 4.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
317 1 25 GLU H 1 25 GLU HG2 2.700 . 4.200 2.049 2.049 2.049 . 0 0 "[ ]" 1
318 1 25 GLU H 1 26 LYS H 3.000 . 4.800 2.678 2.678 2.678 . 0 0 "[ ]" 1
319 1 25 GLU HA 1 25 GLU HB2 2.000 . 2.800 2.519 2.519 2.519 . 0 0 "[ ]" 1
320 1 25 GLU HA 1 25 GLU HG2 2.400 . 3.600 3.869 3.869 3.869 0.269 1 0 "[ ]" 1
321 1 25 GLU HA 1 26 LYS H 3.100 . 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
322 1 25 GLU HA 1 26 LYS HA 3.500 . 5.500 4.734 4.734 4.734 . 0 0 "[ ]" 1
323 1 25 GLU HA 1 27 GLU H 3.900 . 5.500 5.179 5.179 5.179 . 0 0 "[ ]" 1
324 1 25 GLU HA 1 28 LYS H 3.100 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
325 1 25 GLU HA 1 28 LYS HB2 2.200 . 3.200 2.719 2.719 2.719 . 0 0 "[ ]" 1
326 1 25 GLU HA 1 28 LYS HD3 2.300 . 3.400 2.131 2.131 2.131 . 0 0 "[ ]" 1
327 1 25 GLU HA 1 28 LYS HE2 3.200 . 5.200 4.749 4.749 4.749 . 0 0 "[ ]" 1
328 1 25 GLU HB2 1 25 GLU HG2 2.400 . 3.600 2.994 2.994 2.994 . 0 0 "[ ]" 1
329 1 25 GLU HB2 1 26 LYS H 2.600 . 4.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
330 1 25 GLU HG2 1 26 LYS H 3.200 . 5.200 3.223 3.223 3.223 . 0 0 "[ ]" 1
331 1 26 LYS H 1 26 LYS HA 2.700 . 4.200 2.945 2.945 2.945 . 0 0 "[ ]" 1
332 1 26 LYS H 1 26 LYS HB2 2.600 . 4.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
333 1 26 LYS H 1 26 LYS HG2 2.700 . 4.200 3.363 3.363 3.363 . 0 0 "[ ]" 1
334 1 26 LYS H 1 26 LYS HG3 2.900 . 4.600 3.209 3.209 3.209 . 0 0 "[ ]" 1
335 1 26 LYS H 1 27 GLU H 2.800 . 4.400 2.611 2.611 2.611 . 0 0 "[ ]" 1
336 1 26 LYS H 1 27 GLU HG2 3.800 . 5.500 5.194 5.194 5.194 . 0 0 "[ ]" 1
337 1 26 LYS H 1 29 GLU H 4.000 . 5.500 5.032 5.032 5.032 . 0 0 "[ ]" 1
338 1 26 LYS H 1 80 PHE HZ 4.300 . 5.500 5.144 5.144 5.144 . 0 0 "[ ]" 1
339 1 26 LYS HA 1 26 LYS HB2 2.300 . 3.400 3.005 3.005 3.005 . 0 0 "[ ]" 1
340 1 26 LYS HA 1 26 LYS HB3 2.100 . 3.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
341 1 26 LYS HA 1 26 LYS HG2 2.400 . 3.600 2.076 2.076 2.076 . 0 0 "[ ]" 1
342 1 26 LYS HA 1 26 LYS HG3 2.300 . 3.400 3.380 3.380 3.380 . 0 0 "[ ]" 1
343 1 26 LYS HA 1 27 GLU H 3.200 . 5.200 3.591 3.591 3.591 . 0 0 "[ ]" 1
344 1 26 LYS HA 1 28 LYS H 4.500 . 5.500 4.279 4.279 4.279 . 0 0 "[ ]" 1
345 1 26 LYS HA 1 29 GLU H 3.100 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
346 1 26 LYS HA 1 29 GLU HB3 2.400 . 3.600 3.609 3.609 3.609 0.009 1 0 "[ ]" 1
347 1 26 LYS HA 1 30 LEU H 3.600 . 5.500 4.536 4.536 4.536 . 0 0 "[ ]" 1
348 1 26 LYS HA 1 80 PHE QE 3.600 . 5.500 4.737 4.737 4.737 . 0 0 "[ ]" 1
349 1 26 LYS HA 1 80 PHE HZ 4.200 . 5.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
350 1 26 LYS HB2 1 26 LYS HG2 2.400 . 3.600 2.886 2.886 2.886 . 0 0 "[ ]" 1
351 1 26 LYS HB2 1 26 LYS HG3 2.600 . 4.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
352 1 26 LYS HB2 1 80 PHE QE 3.100 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
353 1 26 LYS HB2 1 80 PHE HZ 3.200 . 5.200 3.290 3.290 3.290 . 0 0 "[ ]" 1
354 1 26 LYS HB3 1 27 GLU H 3.100 . 5.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
355 1 26 LYS HB3 1 80 PHE QE 2.500 . 4.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
356 1 26 LYS HB3 1 80 PHE HZ 3.100 . 5.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
357 1 26 LYS HE2 1 26 LYS HG2 2.600 . 4.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
358 1 26 LYS HE2 1 26 LYS HG3 2.700 . 4.200 2.165 2.165 2.165 . 0 0 "[ ]" 1
359 1 26 LYS HG2 1 27 GLU H 3.400 . 5.500 4.660 4.660 4.660 . 0 0 "[ ]" 1
360 1 26 LYS HG2 1 80 PHE QE 4.200 . 5.500 5.130 5.130 5.130 . 0 0 "[ ]" 1
361 1 26 LYS HG2 1 80 PHE HZ 4.400 . 5.500 4.750 4.750 4.750 . 0 0 "[ ]" 1
362 1 26 LYS HG3 1 80 PHE QE 3.800 . 5.500 5.398 5.398 5.398 . 0 0 "[ ]" 1
363 1 26 LYS HG3 1 80 PHE HZ 4.100 . 5.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
364 1 27 GLU H 1 27 GLU HA 2.800 . 4.400 2.828 2.828 2.828 . 0 0 "[ ]" 1
365 1 27 GLU H 1 27 GLU HB2 2.700 . 4.200 2.479 2.479 2.479 . 0 0 "[ ]" 1
366 1 27 GLU H 1 27 GLU HG2 2.700 . 4.200 2.711 2.711 2.711 . 0 0 "[ ]" 1
367 1 27 GLU H 1 27 GLU HG3 2.700 . 4.200 2.054 2.054 2.054 . 0 0 "[ ]" 1
368 1 27 GLU H 1 28 LYS H 2.700 . 4.200 2.752 2.752 2.752 . 0 0 "[ ]" 1
369 1 27 GLU H 1 28 LYS HA 5.200 . 5.500 5.381 5.381 5.381 . 0 0 "[ ]" 1
370 1 27 GLU H 1 29 GLU H 3.200 . 5.200 4.797 4.797 4.797 . 0 0 "[ ]" 1
371 1 27 GLU H 1 80 PHE HZ 3.400 . 5.500 3.662 3.662 3.662 . 0 0 "[ ]" 1
372 1 27 GLU HA 1 27 GLU HB2 2.500 . 3.800 3.044 3.044 3.044 . 0 0 "[ ]" 1
373 1 27 GLU HA 1 27 GLU HB3 2.400 . 3.600 2.481 2.481 2.481 . 0 0 "[ ]" 1
374 1 27 GLU HA 1 27 GLU HG2 2.600 . 4.000 2.358 2.358 2.358 . 0 0 "[ ]" 1
375 1 27 GLU HA 1 27 GLU HG3 2.400 . 3.600 3.386 3.386 3.386 . 0 0 "[ ]" 1
376 1 27 GLU HA 1 28 LYS H 3.300 . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
377 1 27 GLU HA 1 29 GLU H 4.400 . 5.500 4.778 4.778 4.778 . 0 0 "[ ]" 1
378 1 27 GLU HA 1 30 LEU H 2.800 . 4.400 3.381 3.381 3.381 . 0 0 "[ ]" 1
379 1 27 GLU HA 1 30 LEU HA 3.600 . 5.500 5.076 5.076 5.076 . 0 0 "[ ]" 1
380 1 27 GLU HA 1 30 LEU HB2 2.500 . 3.800 2.952 2.952 2.952 . 0 0 "[ ]" 1
381 1 27 GLU HA 1 30 LEU HB3 2.400 . 3.600 2.353 2.353 2.353 . 0 0 "[ ]" 1
382 1 27 GLU HA 1 30 LEU MD2 3.100 . 5.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
383 1 27 GLU HA 1 31 CYS H 3.200 . 5.200 4.023 4.023 4.023 . 0 0 "[ ]" 1
384 1 27 GLU HA 1 80 PHE QE 4.300 . 5.500 3.874 3.874 3.874 . 0 0 "[ ]" 1
385 1 27 GLU HA 1 80 PHE HZ 3.300 . 5.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
386 1 27 GLU HB2 1 27 GLU HG2 2.500 . 3.800 2.998 2.998 2.998 . 0 0 "[ ]" 1
387 1 27 GLU HB2 1 28 LYS H 3.100 . 5.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
388 1 27 GLU HB3 1 27 GLU HG2 2.600 . 4.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
389 1 27 GLU HB3 1 27 GLU HG3 2.300 . 3.400 2.998 2.998 2.998 . 0 0 "[ ]" 1
390 1 27 GLU HB3 1 30 LEU HB3 2.600 . 4.000 4.002 4.002 4.002 0.002 1 0 "[ ]" 1
391 1 27 GLU HB3 1 41 TYR QE 3.500 . 5.500 3.116 3.116 3.116 . 0 0 "[ ]" 1
392 1 27 GLU HG2 1 28 LYS H 3.300 . 5.500 4.703 4.703 4.703 . 0 0 "[ ]" 1
393 1 27 GLU HG2 1 80 PHE QE 3.400 . 5.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
394 1 27 GLU HG2 1 80 PHE HZ 3.200 . 5.200 3.078 3.078 3.078 . 0 0 "[ ]" 1
395 1 27 GLU HG3 1 80 PHE QE 3.200 . 5.200 3.597 3.597 3.597 . 0 0 "[ ]" 1
396 1 27 GLU HG3 1 80 PHE HZ 3.400 . 5.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
397 1 28 LYS H 1 28 LYS HA 2.800 . 4.400 2.820 2.820 2.820 . 0 0 "[ ]" 1
398 1 28 LYS H 1 28 LYS HB2 2.400 . 3.600 2.132 2.132 2.132 . 0 0 "[ ]" 1
399 1 28 LYS H 1 28 LYS QG 2.500 . 3.800 2.503 2.503 2.503 . 0 0 "[ ]" 1
400 1 28 LYS H 1 29 GLU H 2.700 . 4.200 2.994 2.994 2.994 . 0 0 "[ ]" 1
401 1 28 LYS HA 1 28 LYS HB2 2.300 . 3.400 3.002 3.002 3.002 . 0 0 "[ ]" 1
402 1 28 LYS HA 1 28 LYS HB3 2.200 . 3.200 2.670 2.670 2.670 . 0 0 "[ ]" 1
403 1 28 LYS HA 1 28 LYS HE2 2.600 . 4.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
404 1 28 LYS HA 1 28 LYS QG 2.400 . 3.600 2.222 2.222 2.222 . 0 0 "[ ]" 1
405 1 28 LYS HA 1 29 GLU H 3.200 . 5.200 3.594 3.594 3.594 . 0 0 "[ ]" 1
406 1 28 LYS HA 1 31 CYS H 3.100 . 5.000 3.690 3.690 3.690 . 0 0 "[ ]" 1
407 1 28 LYS HA 1 31 CYS HB2 2.700 . 4.200 3.070 3.070 3.070 . 0 0 "[ ]" 1
408 1 28 LYS HA 1 31 CYS HB3 3.500 . 5.500 4.493 4.493 4.493 . 0 0 "[ ]" 1
409 1 28 LYS HA 1 32 GLN H 3.400 . 5.500 3.963 3.963 3.963 . 0 0 "[ ]" 1
410 1 28 LYS HB2 1 28 LYS HD3 2.700 . 4.200 2.403 2.403 2.403 . 0 0 "[ ]" 1
411 1 28 LYS HB2 1 28 LYS HE3 3.100 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
412 1 28 LYS HB2 1 28 LYS QG 2.300 . 3.400 2.365 2.365 2.365 . 0 0 "[ ]" 1
413 1 28 LYS HB2 1 29 GLU H 2.600 . 4.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
414 1 28 LYS HB3 1 28 LYS HE2 3.200 . 5.200 2.247 2.247 2.247 . 0 0 "[ ]" 1
415 1 28 LYS HB3 1 28 LYS QG 2.300 . 3.400 2.367 2.367 2.367 . 0 0 "[ ]" 1
416 1 28 LYS HB3 1 31 CYS H 4.900 . 5.500 5.511 5.511 5.511 0.011 1 0 "[ ]" 1
417 1 28 LYS HD3 1 28 LYS QG 2.500 . 3.800 2.424 2.424 2.424 . 0 0 "[ ]" 1
418 1 28 LYS HE2 1 28 LYS QG 2.100 . 3.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
419 1 28 LYS HE3 1 28 LYS QG 3.400 . 5.500 3.097 3.097 3.097 . 0 0 "[ ]" 1
420 1 29 GLU H 1 29 GLU HA 2.700 . 4.200 2.840 2.840 2.840 . 0 0 "[ ]" 1
421 1 29 GLU H 1 29 GLU HB3 2.300 . 3.400 2.463 2.463 2.463 . 0 0 "[ ]" 1
422 1 29 GLU H 1 29 GLU HG2 3.000 . 4.800 4.341 4.341 4.341 . 0 0 "[ ]" 1
423 1 29 GLU H 1 29 GLU HG3 3.200 . 5.200 4.497 4.497 4.497 . 0 0 "[ ]" 1
424 1 29 GLU H 1 30 LEU H 2.800 . 4.400 2.742 2.742 2.742 . 0 0 "[ ]" 1
425 1 29 GLU H 1 30 LEU HB3 3.900 . 5.500 4.833 4.833 4.833 . 0 0 "[ ]" 1
426 1 29 GLU H 1 31 CYS H 3.400 . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 1
427 1 29 GLU HA 1 29 GLU HB3 2.200 . 3.200 3.043 3.043 3.043 . 0 0 "[ ]" 1
428 1 29 GLU HA 1 29 GLU HG2 2.200 . 3.200 2.354 2.354 2.354 . 0 0 "[ ]" 1
429 1 29 GLU HA 1 29 GLU HG3 2.400 . 3.600 3.348 3.348 3.348 . 0 0 "[ ]" 1
430 1 29 GLU HA 1 30 LEU H 3.300 . 5.500 3.555 3.555 3.555 . 0 0 "[ ]" 1
431 1 29 GLU HA 1 32 GLN H 3.500 . 5.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
432 1 29 GLU HA 1 32 GLN HB2 2.700 . 4.200 2.223 2.223 2.223 . 0 0 "[ ]" 1
433 1 29 GLU HB3 1 30 LEU H 2.600 . 4.000 2.577 2.577 2.577 . 0 0 "[ ]" 1
434 1 29 GLU HB3 1 31 CYS H 3.300 . 5.500 5.153 5.153 5.153 . 0 0 "[ ]" 1
435 1 29 GLU HG2 1 30 LEU H 3.600 . 5.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
436 1 29 GLU HG2 1 33 VAL MG2 3.600 . 5.500 2.092 2.092 2.092 . 0 0 "[ ]" 1
437 1 29 GLU HG3 1 30 LEU H 3.700 . 5.500 4.992 4.992 4.992 . 0 0 "[ ]" 1
438 1 29 GLU HG3 1 33 VAL MG2 3.400 . 5.500 3.365 3.365 3.365 . 0 0 "[ ]" 1
439 1 30 LEU H 1 30 LEU HA 2.800 . 4.400 2.847 2.847 2.847 . 0 0 "[ ]" 1
440 1 30 LEU H 1 30 LEU HB2 2.500 . 3.800 2.427 2.427 2.427 . 0 0 "[ ]" 1
441 1 30 LEU H 1 30 LEU HB3 2.500 . 3.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
442 1 30 LEU H 1 30 LEU MD1 3.200 . 5.200 3.998 3.998 3.998 . 0 0 "[ ]" 1
443 1 30 LEU H 1 30 LEU MD2 3.900 . 5.500 4.152 4.152 4.152 . 0 0 "[ ]" 1
444 1 30 LEU H 1 30 LEU HG 3.300 . 5.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
445 1 30 LEU H 1 31 CYS H 2.800 . 4.400 2.790 2.790 2.790 . 0 0 "[ ]" 1
446 1 30 LEU HA 1 30 LEU HB2 2.200 . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
447 1 30 LEU HA 1 30 LEU HB3 2.200 . 3.200 3.043 3.043 3.043 . 0 0 "[ ]" 1
448 1 30 LEU HA 1 30 LEU MD1 2.000 . 2.800 2.613 2.613 2.613 . 0 0 "[ ]" 1
449 1 30 LEU HA 1 30 LEU MD2 2.600 . 4.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
450 1 30 LEU HA 1 31 CYS H 3.100 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
451 1 30 LEU HA 1 33 VAL H 3.100 . 5.000 4.093 4.093 4.093 . 0 0 "[ ]" 1
452 1 30 LEU HA 1 33 VAL HB 2.400 . 3.600 3.214 3.214 3.214 . 0 0 "[ ]" 1
453 1 30 LEU HA 1 33 VAL MG1 2.800 . 4.400 4.402 4.402 4.402 0.002 1 0 "[ ]" 1
454 1 30 LEU HA 1 33 VAL MG2 2.300 . 3.400 3.381 3.381 3.381 . 0 0 "[ ]" 1
455 1 30 LEU HA 1 34 VAL H 3.400 . 5.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
456 1 30 LEU HB2 1 30 LEU MD1 2.300 . 3.400 1.970 1.970 1.970 . 0 0 "[ ]" 1
457 1 30 LEU HB2 1 30 LEU MD2 2.400 . 3.600 2.722 2.722 2.722 . 0 0 "[ ]" 1
458 1 30 LEU HB2 1 31 CYS H 2.600 . 4.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
459 1 30 LEU HB3 1 30 LEU MD1 2.600 . 4.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
460 1 30 LEU HB3 1 30 LEU MD2 2.400 . 3.600 2.086 2.086 2.086 . 0 0 "[ ]" 1
461 1 30 LEU HB3 1 30 LEU HG 2.600 . 4.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
462 1 30 LEU HB3 1 31 CYS H 2.700 . 4.200 2.372 2.372 2.372 . 0 0 "[ ]" 1
463 1 30 LEU MD1 1 30 LEU MD2 2.000 . 2.800 2.047 2.047 2.047 . 0 0 "[ ]" 1
464 1 30 LEU MD1 1 30 LEU HG 2.100 . 3.000 2.117 2.117 2.117 . 0 0 "[ ]" 1
465 1 30 LEU MD1 1 31 CYS H 3.400 . 5.500 4.639 4.639 4.639 . 0 0 "[ ]" 1
466 1 30 LEU MD1 1 33 VAL HB 3.600 . 5.500 4.721 4.721 4.721 . 0 0 "[ ]" 1
467 1 30 LEU MD1 1 41 TYR QE 3.800 . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
468 1 30 LEU MD1 1 76 LYS HB2 2.900 . 4.600 4.267 4.267 4.267 . 0 0 "[ ]" 1
469 1 30 LEU MD1 1 76 LYS HB3 2.600 . 4.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
470 1 30 LEU MD1 1 77 ILE HA 2.300 . 3.400 3.277 3.277 3.277 . 0 0 "[ ]" 1
471 1 30 LEU MD1 1 77 ILE HG13 3.700 . 5.500 4.924 4.924 4.924 . 0 0 "[ ]" 1
472 1 30 LEU MD1 1 80 PHE HA 3.200 . 5.200 3.861 3.861 3.861 . 0 0 "[ ]" 1
473 1 30 LEU MD1 1 80 PHE HB2 2.400 . 3.600 1.991 1.991 1.991 . 0 0 "[ ]" 1
474 1 30 LEU MD1 1 80 PHE HB3 2.400 . 3.600 3.317 3.317 3.317 . 0 0 "[ ]" 1
475 1 30 LEU MD1 1 80 PHE QD 2.700 . 4.500 2.209 2.209 2.209 . 0 0 "[ ]" 1
476 1 30 LEU MD1 1 80 PHE QE 3.700 . 5.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
477 1 30 LEU MD2 1 30 LEU HG 2.400 . 3.600 2.144 2.144 2.144 . 0 0 "[ ]" 1
478 1 30 LEU MD2 1 31 CYS H 4.000 . 5.500 3.485 3.485 3.485 . 0 0 "[ ]" 1
479 1 30 LEU MD2 1 41 TYR QD 3.100 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
480 1 30 LEU MD2 1 41 TYR QE 2.500 . 3.800 2.013 2.013 2.013 . 0 0 "[ ]" 1
481 1 30 LEU MD2 1 77 ILE HA 2.400 . 3.600 2.180 2.180 2.180 . 0 0 "[ ]" 1
482 1 30 LEU MD2 1 77 ILE MD 3.300 . 5.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
483 1 30 LEU MD2 1 77 ILE HG12 3.600 . 5.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
484 1 30 LEU MD2 1 77 ILE HG13 3.600 . 5.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
485 1 30 LEU MD2 1 80 PHE HB2 3.100 . 5.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
486 1 30 LEU MD2 1 80 PHE HB3 3.200 . 5.200 3.083 3.083 3.083 . 0 0 "[ ]" 1
487 1 30 LEU MD2 1 80 PHE QD 2.900 . 4.600 3.084 3.084 3.084 . 0 0 "[ ]" 1
488 1 30 LEU MD2 1 80 PHE QE 3.300 . 5.500 3.759 3.759 3.759 . 0 0 "[ ]" 1
489 1 30 LEU HG 1 31 CYS H 3.300 . 5.500 3.680 3.680 3.680 . 0 0 "[ ]" 1
490 1 31 CYS H 1 31 CYS HA 2.800 . 4.400 2.904 2.904 2.904 . 0 0 "[ ]" 1
491 1 31 CYS H 1 31 CYS HB3 2.500 . 3.800 3.418 3.418 3.418 . 0 0 "[ ]" 1
492 1 31 CYS H 1 32 GLN H 2.800 . 4.400 2.591 2.591 2.591 . 0 0 "[ ]" 1
493 1 31 CYS H 1 32 GLN QG 4.200 . 5.500 4.478 4.478 4.478 . 0 0 "[ ]" 1
494 1 31 CYS HA 1 31 CYS HB2 2.400 . 3.600 2.993 2.993 2.993 . 0 0 "[ ]" 1
495 1 31 CYS HA 1 31 CYS HB3 2.300 . 3.400 2.696 2.696 2.696 . 0 0 "[ ]" 1
496 1 31 CYS HA 1 32 GLN H 3.500 . 5.500 3.575 3.575 3.575 . 0 0 "[ ]" 1
497 1 31 CYS HA 1 34 VAL HB 3.000 . 4.800 2.591 2.591 2.591 . 0 0 "[ ]" 1
498 1 31 CYS HA 1 34 VAL MG1 2.400 . 3.600 3.630 3.630 3.630 0.030 1 0 "[ ]" 1
499 1 31 CYS HA 1 36 LEU HB2 2.500 . 3.800 1.943 1.943 1.943 . 0 0 "[ ]" 1
500 1 31 CYS HA 1 36 LEU HB3 3.300 . 5.500 3.348 3.348 3.348 . 0 0 "[ ]" 1
501 1 31 CYS HB2 1 36 LEU H 4.300 . 5.500 4.649 4.649 4.649 . 0 0 "[ ]" 1
502 1 31 CYS HB3 1 32 GLN H 2.800 . 4.400 3.183 3.183 3.183 . 0 0 "[ ]" 1
503 1 31 CYS HB3 1 36 LEU H 3.300 . 5.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
504 1 32 GLN H 1 32 GLN HA 2.600 . 4.000 2.838 2.838 2.838 . 0 0 "[ ]" 1
505 1 32 GLN H 1 32 GLN HB2 2.500 . 3.800 2.242 2.242 2.242 . 0 0 "[ ]" 1
506 1 32 GLN H 1 32 GLN HB3 2.700 . 4.200 3.505 3.505 3.505 . 0 0 "[ ]" 1
507 1 32 GLN H 1 32 GLN HG2 2.500 . 3.800 3.757 3.757 3.757 . 0 0 "[ ]" 1
508 1 32 GLN H 1 33 VAL H 2.400 . 3.600 2.913 2.913 2.913 . 0 0 "[ ]" 1
509 1 32 GLN H 1 33 VAL MG2 3.400 . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
510 1 32 GLN H 1 34 VAL H 3.800 . 5.500 4.090 4.090 4.090 . 0 0 "[ ]" 1
511 1 32 GLN HA 1 32 GLN HB2 2.300 . 3.400 3.028 3.028 3.028 . 0 0 "[ ]" 1
512 1 32 GLN HA 1 32 GLN HB3 2.200 . 3.200 2.596 2.596 2.596 . 0 0 "[ ]" 1
513 1 32 GLN HA 1 32 GLN HG2 2.500 . 3.800 2.693 2.693 2.693 . 0 0 "[ ]" 1
514 1 32 GLN HA 1 32 GLN HG3 2.400 . 3.600 2.537 2.537 2.537 . 0 0 "[ ]" 1
515 1 32 GLN HA 1 33 VAL H 3.000 . 4.800 3.591 3.591 3.591 . 0 0 "[ ]" 1
516 1 32 GLN HA 1 35 ARG HA 3.400 . 5.500 3.368 3.368 3.368 . 0 0 "[ ]" 1
517 1 32 GLN HB2 1 32 GLN HG2 2.500 . 3.800 3.002 3.002 3.002 . 0 0 "[ ]" 1
518 1 32 GLN HB2 1 33 VAL H 2.700 . 4.200 2.305 2.305 2.305 . 0 0 "[ ]" 1
519 1 32 GLN HB3 1 32 GLN HG2 2.300 . 3.400 2.332 2.332 2.332 . 0 0 "[ ]" 1
520 1 32 GLN HB3 1 32 GLN HG3 2.300 . 3.400 3.002 3.002 3.002 . 0 0 "[ ]" 1
521 1 32 GLN HB3 1 33 VAL H 3.300 . 5.500 3.086 3.086 3.086 . 0 0 "[ ]" 1
522 1 32 GLN HG2 1 33 VAL H 3.100 . 5.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
523 1 33 VAL H 1 33 VAL HA 2.900 . 4.600 2.824 2.824 2.824 . 0 0 "[ ]" 1
524 1 33 VAL H 1 33 VAL HB 2.500 . 3.800 2.460 2.460 2.460 . 0 0 "[ ]" 1
525 1 33 VAL H 1 33 VAL MG1 2.600 . 4.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
526 1 33 VAL H 1 33 VAL MG2 2.400 . 3.600 1.958 1.958 1.958 . 0 0 "[ ]" 1
527 1 33 VAL H 1 34 VAL H 2.500 . 3.800 2.797 2.797 2.797 . 0 0 "[ ]" 1
528 1 33 VAL H 1 35 ARG H 3.100 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
529 1 33 VAL HA 1 33 VAL HB 2.300 . 3.400 3.043 3.043 3.043 . 0 0 "[ ]" 1
530 1 33 VAL HA 1 33 VAL MG1 2.100 . 3.000 2.304 2.304 2.304 . 0 0 "[ ]" 1
531 1 33 VAL HA 1 33 VAL MG2 2.100 . 3.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
532 1 33 VAL HA 1 34 VAL H 3.000 . 4.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
533 1 33 VAL HB 1 33 VAL MG1 2.000 . 2.800 2.136 2.136 2.136 . 0 0 "[ ]" 1
534 1 33 VAL HB 1 33 VAL MG2 2.000 . 2.800 2.116 2.116 2.116 . 0 0 "[ ]" 1
535 1 33 VAL HB 1 34 VAL H 2.700 . 4.200 2.490 2.490 2.490 . 0 0 "[ ]" 1
536 1 33 VAL HB 1 35 ARG H 3.700 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
537 1 33 VAL MG1 1 34 VAL HA 2.700 . 4.200 3.671 3.671 3.671 . 0 0 "[ ]" 1
538 1 33 VAL MG1 1 76 LYS HE2 2.700 . 4.200 4.182 4.182 4.182 . 0 0 "[ ]" 1
539 1 34 VAL H 1 34 VAL HA 2.600 . 4.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
540 1 34 VAL H 1 34 VAL HB 2.400 . 3.600 2.161 2.161 2.161 . 0 0 "[ ]" 1
541 1 34 VAL H 1 34 VAL MG1 2.300 . 3.400 3.621 3.621 3.621 0.221 1 0 "[ ]" 1
542 1 34 VAL H 1 34 VAL MG2 2.800 . 4.400 2.522 2.522 2.522 . 0 0 "[ ]" 1
543 1 34 VAL H 1 35 ARG H 2.400 . 4.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
544 1 34 VAL HA 1 34 VAL HB 2.100 . 3.000 3.032 3.032 3.032 0.032 1 0 "[ ]" 1
545 1 34 VAL HA 1 34 VAL MG1 2.200 . 3.200 2.458 2.458 2.458 . 0 0 "[ ]" 1
546 1 34 VAL HA 1 34 VAL MG2 2.000 . 2.800 2.150 2.150 2.150 . 0 0 "[ ]" 1
547 1 34 VAL HA 1 35 ARG H 2.600 . 4.000 3.314 3.314 3.314 . 0 0 "[ ]" 1
548 1 34 VAL HA 1 36 LEU H 4.000 . 5.500 5.062 5.062 5.062 . 0 0 "[ ]" 1
549 1 34 VAL HB 1 34 VAL MG1 2.200 . 3.200 2.134 2.134 2.134 . 0 0 "[ ]" 1
550 1 34 VAL HB 1 34 VAL MG2 2.100 . 3.000 2.121 2.121 2.121 . 0 0 "[ ]" 1
551 1 34 VAL MG1 1 35 ARG H 2.900 . 4.600 3.922 3.922 3.922 . 0 0 "[ ]" 1
552 1 34 VAL MG1 1 36 LEU H 2.900 . 4.600 3.554 3.554 3.554 . 0 0 "[ ]" 1
553 1 34 VAL MG1 1 76 LYS HB2 2.300 . 3.400 3.282 3.282 3.282 . 0 0 "[ ]" 1
554 1 34 VAL MG1 1 76 LYS HB3 3.000 . 4.800 4.028 4.028 4.028 . 0 0 "[ ]" 1
555 1 34 VAL MG2 1 35 ARG H 3.000 . 4.800 4.254 4.254 4.254 . 0 0 "[ ]" 1
556 1 34 VAL MG2 1 73 LYS HA 2.500 . 3.800 3.342 3.342 3.342 . 0 0 "[ ]" 1
557 1 34 VAL MG2 1 73 LYS HG3 3.000 . 4.800 4.258 4.258 4.258 . 0 0 "[ ]" 1
558 1 34 VAL MG2 1 76 LYS H 3.200 . 5.200 4.284 4.284 4.284 . 0 0 "[ ]" 1
559 1 34 VAL MG2 1 76 LYS HB2 2.000 . 2.800 2.373 2.373 2.373 . 0 0 "[ ]" 1
560 1 34 VAL MG2 1 76 LYS HB3 3.100 . 5.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
561 1 35 ARG H 1 35 ARG HB2 2.800 . 4.400 3.536 3.536 3.536 . 0 0 "[ ]" 1
562 1 35 ARG H 1 35 ARG HB3 3.000 . 4.800 3.996 3.996 3.996 . 0 0 "[ ]" 1
563 1 35 ARG H 1 35 ARG HD2 4.300 . 5.500 5.093 5.093 5.093 . 0 0 "[ ]" 1
564 1 35 ARG H 1 35 ARG HD3 3.700 . 5.500 5.140 5.140 5.140 . 0 0 "[ ]" 1
565 1 35 ARG H 1 35 ARG HG2 2.700 . 4.200 2.949 2.949 2.949 . 0 0 "[ ]" 1
566 1 35 ARG H 1 36 LEU H 2.600 . 4.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
567 1 35 ARG HA 1 35 ARG HB2 2.400 . 3.600 3.044 3.044 3.044 . 0 0 "[ ]" 1
568 1 35 ARG HA 1 35 ARG HB3 2.300 . 3.400 2.449 2.449 2.449 . 0 0 "[ ]" 1
569 1 35 ARG HA 1 35 ARG HD2 3.600 . 5.500 4.515 4.515 4.515 . 0 0 "[ ]" 1
570 1 35 ARG HA 1 35 ARG HD3 3.800 . 5.500 4.235 4.235 4.235 . 0 0 "[ ]" 1
571 1 35 ARG HA 1 35 ARG HG2 2.200 . 3.200 2.489 2.489 2.489 . 0 0 "[ ]" 1
572 1 35 ARG HA 1 36 LEU H 2.300 . 3.400 2.764 2.764 2.764 . 0 0 "[ ]" 1
573 1 35 ARG HB2 1 35 ARG HD2 3.400 . 5.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
574 1 35 ARG HB2 1 35 ARG HD3 2.700 . 4.200 3.529 3.529 3.529 . 0 0 "[ ]" 1
575 1 35 ARG HB2 1 35 ARG HG2 2.300 . 3.400 3.027 3.027 3.027 . 0 0 "[ ]" 1
576 1 35 ARG HB2 1 36 LEU H 3.100 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
577 1 35 ARG HB3 1 35 ARG HD2 3.400 . 5.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
578 1 35 ARG HB3 1 35 ARG HD3 3.200 . 5.200 2.741 2.741 2.741 . 0 0 "[ ]" 1
579 1 35 ARG HB3 1 35 ARG HG2 2.800 . 4.400 2.559 2.559 2.559 . 0 0 "[ ]" 1
580 1 35 ARG HB3 1 36 LEU H 3.200 . 5.200 4.511 4.511 4.511 . 0 0 "[ ]" 1
581 1 35 ARG HD2 1 35 ARG HG2 2.200 . 3.200 3.008 3.008 3.008 . 0 0 "[ ]" 1
582 1 35 ARG HD3 1 35 ARG HG2 2.100 . 3.000 2.333 2.333 2.333 . 0 0 "[ ]" 1
583 1 36 LEU H 1 36 LEU HB2 2.600 . 4.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
584 1 36 LEU H 1 36 LEU HB3 3.000 . 4.800 3.367 3.367 3.367 . 0 0 "[ ]" 1
585 1 36 LEU H 1 36 LEU MD2 3.200 . 5.200 4.336 4.336 4.336 . 0 0 "[ ]" 1
586 1 36 LEU HA 1 36 LEU HB2 2.800 . 4.400 2.966 2.966 2.966 . 0 0 "[ ]" 1
587 1 36 LEU HA 1 36 LEU HB3 2.700 . 4.200 2.748 2.748 2.748 . 0 0 "[ ]" 1
588 1 36 LEU HA 1 36 LEU MD1 3.500 . 5.500 3.676 3.676 3.676 . 0 0 "[ ]" 1
589 1 36 LEU HA 1 36 LEU MD2 2.200 . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
590 1 36 LEU HA 1 37 VAL H 2.300 . 3.400 2.553 2.553 2.553 . 0 0 "[ ]" 1
591 1 36 LEU HB2 1 36 LEU MD1 2.400 . 3.600 2.148 2.148 2.148 . 0 0 "[ ]" 1
592 1 36 LEU HB2 1 36 LEU MD2 2.500 . 3.800 3.115 3.115 3.115 . 0 0 "[ ]" 1
593 1 36 LEU HB2 1 37 VAL H 3.300 . 5.500 3.791 3.791 3.791 . 0 0 "[ ]" 1
594 1 36 LEU HB2 1 41 TYR H 3.300 . 5.500 5.718 5.718 5.718 0.218 1 0 "[ ]" 1
595 1 36 LEU HB2 1 41 TYR HB2 3.400 . 5.500 4.108 4.108 4.108 . 0 0 "[ ]" 1
596 1 36 LEU HB3 1 36 LEU MD1 2.400 . 3.600 2.653 2.653 2.653 . 0 0 "[ ]" 1
597 1 36 LEU HB3 1 36 LEU MD2 2.300 . 3.400 2.045 2.045 2.045 . 0 0 "[ ]" 1
598 1 36 LEU HB3 1 37 VAL H 2.700 . 4.200 2.350 2.350 2.350 . 0 0 "[ ]" 1
599 1 36 LEU HB3 1 41 TYR HB2 3.300 . 5.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
600 1 36 LEU MD1 1 36 LEU HG 2.100 . 3.000 2.152 2.152 2.152 . 0 0 "[ ]" 1
601 1 36 LEU MD1 1 41 TYR HB2 2.700 . 4.200 3.274 3.274 3.274 . 0 0 "[ ]" 1
602 1 36 LEU MD1 1 41 TYR QD 2.600 . 4.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
603 1 36 LEU MD1 1 73 LYS HA 3.200 . 5.200 3.813 3.813 3.813 . 0 0 "[ ]" 1
604 1 36 LEU MD2 1 36 LEU HG 2.300 . 3.400 2.133 2.133 2.133 . 0 0 "[ ]" 1
605 1 36 LEU MD2 1 41 TYR HA 3.600 . 5.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
606 1 36 LEU MD2 1 41 TYR HB2 3.400 . 5.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
607 1 37 VAL H 1 37 VAL HA 2.700 . 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
608 1 37 VAL H 1 37 VAL HB 2.700 . 4.200 2.239 2.239 2.239 . 0 0 "[ ]" 1
609 1 37 VAL H 1 37 VAL MG1 2.400 . 3.600 3.642 3.642 3.642 0.042 1 0 "[ ]" 1
610 1 37 VAL H 1 38 PRO HD2 3.400 . 5.500 5.150 5.150 5.150 . 0 0 "[ ]" 1
611 1 37 VAL H 1 38 PRO HD3 3.300 . 5.500 4.812 4.812 4.812 . 0 0 "[ ]" 1
612 1 37 VAL H 1 40 ALA H 3.800 . 5.500 4.643 4.643 4.643 . 0 0 "[ ]" 1
613 1 37 VAL H 1 40 ALA MB 2.700 . 4.200 2.517 2.517 2.517 . 0 0 "[ ]" 1
614 1 37 VAL HA 1 37 VAL HB 2.300 . 3.400 3.023 3.023 3.023 . 0 0 "[ ]" 1
615 1 37 VAL HA 1 37 VAL MG1 2.500 . 3.800 2.672 2.672 2.672 . 0 0 "[ ]" 1
616 1 37 VAL HA 1 37 VAL MG2 2.300 . 3.400 2.098 2.098 2.098 . 0 0 "[ ]" 1
617 1 37 VAL HA 1 38 PRO HD2 2.100 . 3.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
618 1 37 VAL HA 1 38 PRO HD3 2.200 . 3.200 2.022 2.022 2.022 . 0 0 "[ ]" 1
619 1 37 VAL HA 1 39 GLY H 3.400 . 5.500 5.038 5.038 5.038 . 0 0 "[ ]" 1
620 1 37 VAL HA 1 40 ALA H 3.200 . 5.200 4.766 4.766 4.766 . 0 0 "[ ]" 1
621 1 37 VAL HB 1 37 VAL MG1 2.000 . 2.800 2.136 2.136 2.136 . 0 0 "[ ]" 1
622 1 37 VAL HB 1 37 VAL MG2 2.000 . 2.800 2.120 2.120 2.120 . 0 0 "[ ]" 1
623 1 37 VAL HB 1 38 PRO HD2 2.800 . 4.400 4.144 4.144 4.144 . 0 0 "[ ]" 1
624 1 37 VAL HB 1 39 GLY H 3.300 . 5.500 5.155 5.155 5.155 . 0 0 "[ ]" 1
625 1 37 VAL HB 1 40 ALA H 3.100 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
626 1 37 VAL HB 1 40 ALA MB 2.300 . 3.400 1.791 1.791 1.791 . 0 0 "[ ]" 1
627 1 37 VAL MG1 1 38 PRO HD3 3.300 . 5.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
628 1 37 VAL MG1 1 39 GLY H 3.100 . 5.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
629 1 37 VAL MG1 1 40 ALA H 2.400 . 3.600 1.861 1.861 1.861 . 0 0 "[ ]" 1
630 1 37 VAL MG1 1 40 ALA HA 2.500 . 3.800 3.888 3.888 3.888 0.088 1 0 "[ ]" 1
631 1 37 VAL MG1 1 41 TYR H 3.000 . 4.800 3.644 3.644 3.644 . 0 0 "[ ]" 1
632 1 37 VAL MG2 1 38 PRO HD2 3.400 . 5.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
633 1 37 VAL MG2 1 38 PRO HD3 3.100 . 5.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
634 1 38 PRO HA 1 41 TYR H 2.900 . 4.600 4.017 4.017 4.017 . 0 0 "[ ]" 1
635 1 38 PRO HA 1 41 TYR HB2 2.900 . 4.600 4.446 4.446 4.446 . 0 0 "[ ]" 1
636 1 38 PRO HA 1 41 TYR HB3 2.500 . 3.800 3.245 3.245 3.245 . 0 0 "[ ]" 1
637 1 38 PRO HA 1 41 TYR QD 3.300 . 5.500 4.520 4.520 4.520 . 0 0 "[ ]" 1
638 1 38 PRO HA 1 42 LEU H 4.000 . 5.500 3.771 3.771 3.771 . 0 0 "[ ]" 1
639 1 38 PRO HB2 1 38 PRO HG2 2.400 . 3.600 2.234 2.234 2.234 . 0 0 "[ ]" 1
640 1 38 PRO HB2 1 38 PRO HG3 2.900 . 4.600 2.923 2.923 2.923 . 0 0 "[ ]" 1
641 1 38 PRO HB2 1 39 GLY H 2.800 . 4.400 1.939 1.939 1.939 . 0 0 "[ ]" 1
642 1 38 PRO HB2 1 40 ALA H 4.200 . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
643 1 38 PRO HD2 1 38 PRO HG2 2.500 . 3.800 2.266 2.266 2.266 . 0 0 "[ ]" 1
644 1 38 PRO HD2 1 38 PRO HG3 3.000 . 4.800 2.943 2.943 2.943 . 0 0 "[ ]" 1
645 1 38 PRO HD3 1 38 PRO HG2 2.500 . 3.800 2.754 2.754 2.754 . 0 0 "[ ]" 1
646 1 38 PRO HD3 1 38 PRO HG3 2.700 . 4.200 2.270 2.270 2.270 . 0 0 "[ ]" 1
647 1 38 PRO HG2 1 39 GLY H 4.400 . 5.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
648 1 38 PRO HG3 1 39 GLY H 4.700 . 5.500 4.170 4.170 4.170 . 0 0 "[ ]" 1
649 1 39 GLY H 1 39 GLY HA3 2.800 . 4.400 2.350 2.350 2.350 . 0 0 "[ ]" 1
650 1 39 GLY H 1 40 ALA H 2.900 . 4.600 2.860 2.860 2.860 . 0 0 "[ ]" 1
651 1 39 GLY H 1 41 TYR H 4.700 . 5.500 4.823 4.823 4.823 . 0 0 "[ ]" 1
652 1 39 GLY HA2 1 40 ALA H 2.900 . 4.600 3.562 3.562 3.562 . 0 0 "[ ]" 1
653 1 39 GLY HA2 1 42 LEU H 3.200 . 5.200 3.667 3.667 3.667 . 0 0 "[ ]" 1
654 1 39 GLY HA2 1 42 LEU HB2 2.600 . 4.000 2.172 2.172 2.172 . 0 0 "[ ]" 1
655 1 39 GLY HA2 1 42 LEU HB3 3.600 . 5.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
656 1 39 GLY HA2 1 42 LEU MD1 2.500 . 3.800 2.185 2.185 2.185 . 0 0 "[ ]" 1
657 1 39 GLY HA2 1 42 LEU MD2 2.700 . 4.200 4.046 4.046 4.046 . 0 0 "[ ]" 1
658 1 39 GLY HA2 1 43 GLU H 4.200 . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
659 1 39 GLY HA3 1 40 ALA H 2.700 . 4.200 2.820 2.820 2.820 . 0 0 "[ ]" 1
660 1 39 GLY HA3 1 42 LEU HB2 3.400 . 5.500 3.814 3.814 3.814 . 0 0 "[ ]" 1
661 1 39 GLY HA3 1 42 LEU MD1 2.400 . 3.600 3.572 3.572 3.572 . 0 0 "[ ]" 1
662 1 39 GLY HA3 1 42 LEU MD2 3.600 . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
663 1 40 ALA H 1 40 ALA HA 2.700 . 4.200 2.818 2.818 2.818 . 0 0 "[ ]" 1
664 1 40 ALA H 1 40 ALA MB 2.300 . 3.400 2.126 2.126 2.126 . 0 0 "[ ]" 1
665 1 40 ALA H 1 41 TYR H 2.400 . 3.600 3.043 3.043 3.043 . 0 0 "[ ]" 1
666 1 40 ALA H 1 41 TYR HB2 3.700 . 5.500 5.376 5.376 5.376 . 0 0 "[ ]" 1
667 1 40 ALA H 1 41 TYR HB3 3.400 . 5.500 4.941 4.941 4.941 . 0 0 "[ ]" 1
668 1 40 ALA H 1 42 LEU H 3.700 . 5.500 4.212 4.212 4.212 . 0 0 "[ ]" 1
669 1 40 ALA HA 1 40 ALA MB 2.000 . 2.800 2.157 2.157 2.157 . 0 0 "[ ]" 1
670 1 40 ALA HA 1 41 TYR H 3.100 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
671 1 40 ALA HA 1 42 LEU H 3.600 . 5.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
672 1 40 ALA HA 1 43 GLU HB2 2.600 . 4.000 3.120 3.120 3.120 . 0 0 "[ ]" 1
673 1 40 ALA MB 1 41 TYR H 2.500 . 3.800 1.949 1.949 1.949 . 0 0 "[ ]" 1
674 1 40 ALA MB 1 44 TYR QE 3.900 . 5.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
675 1 41 TYR H 1 41 TYR HA 2.600 . 4.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
676 1 41 TYR H 1 41 TYR HB2 2.600 . 4.000 2.413 2.413 2.413 . 0 0 "[ ]" 1
677 1 41 TYR H 1 41 TYR HB3 2.500 . 3.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
678 1 41 TYR H 1 41 TYR QD 2.900 . 4.600 4.126 4.126 4.126 . 0 0 "[ ]" 1
679 1 41 TYR H 1 42 LEU H 2.700 . 4.200 2.841 2.841 2.841 . 0 0 "[ ]" 1
680 1 41 TYR H 1 42 LEU HB2 3.200 . 5.200 4.340 4.340 4.340 . 0 0 "[ ]" 1
681 1 41 TYR H 1 43 GLU H 4.000 . 5.500 4.096 4.096 4.096 . 0 0 "[ ]" 1
682 1 41 TYR HA 1 41 TYR HB2 2.100 . 3.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
683 1 41 TYR HA 1 41 TYR HB3 2.200 . 3.200 3.043 3.043 3.043 . 0 0 "[ ]" 1
684 1 41 TYR HA 1 41 TYR QD 2.400 . 3.600 2.876 2.876 2.876 . 0 0 "[ ]" 1
685 1 41 TYR HA 1 41 TYR QE 3.600 . 5.500 4.626 4.626 4.626 . 0 0 "[ ]" 1
686 1 41 TYR HA 1 42 LEU H 3.200 . 5.200 3.587 3.587 3.587 . 0 0 "[ ]" 1
687 1 41 TYR HA 1 43 GLU H 3.300 . 5.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
688 1 41 TYR HA 1 44 TYR H 3.100 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
689 1 41 TYR HA 1 44 TYR QB 2.700 . 4.200 2.867 2.867 2.867 . 0 0 "[ ]" 1
690 1 41 TYR HA 1 45 LYS H 3.800 . 5.500 3.736 3.736 3.736 . 0 0 "[ ]" 1
691 1 41 TYR HB2 1 41 TYR QD 2.400 . 3.600 2.425 2.425 2.425 . 0 0 "[ ]" 1
692 1 41 TYR HB2 1 42 LEU H 3.100 . 5.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
693 1 41 TYR HB2 1 43 GLU H 3.900 . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
694 1 41 TYR HB3 1 41 TYR QD 2.600 . 4.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
695 1 41 TYR HB3 1 42 LEU H 2.900 . 4.600 2.335 2.335 2.335 . 0 0 "[ ]" 1
696 1 41 TYR QD 1 77 ILE MD 3.200 . 5.200 2.217 2.217 2.217 . 0 0 "[ ]" 1
697 1 41 TYR QD 1 77 ILE HG12 4.100 . 5.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
698 1 41 TYR QD 1 77 ILE MG 2.800 . 4.400 2.528 2.528 2.528 . 0 0 "[ ]" 1
699 1 41 TYR QE 1 45 LYS HD2 3.300 . 5.500 3.198 3.198 3.198 . 0 0 "[ ]" 1
700 1 41 TYR QE 1 45 LYS HE3 4.600 . 5.500 5.329 5.329 5.329 . 0 0 "[ ]" 1
701 1 41 TYR QE 1 77 ILE MD 3.600 . 5.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
702 1 41 TYR QE 1 77 ILE HG12 3.800 . 5.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
703 1 41 TYR QE 1 77 ILE MG 2.300 . 3.400 2.031 2.031 2.031 . 0 0 "[ ]" 1
704 1 41 TYR QE 1 81 LEU MD1 3.700 . 5.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
705 1 42 LEU H 1 42 LEU HA 2.900 . 4.600 2.810 2.810 2.810 . 0 0 "[ ]" 1
706 1 42 LEU H 1 42 LEU HB2 2.700 . 4.200 2.163 2.163 2.163 . 0 0 "[ ]" 1
707 1 42 LEU H 1 42 LEU HB3 2.800 . 4.400 3.483 3.483 3.483 . 0 0 "[ ]" 1
708 1 42 LEU H 1 42 LEU MD2 2.700 . 4.200 4.082 4.082 4.082 . 0 0 "[ ]" 1
709 1 42 LEU H 1 43 GLU H 2.700 . 4.200 2.789 2.789 2.789 . 0 0 "[ ]" 1
710 1 42 LEU H 1 44 TYR H 4.000 . 5.500 4.827 4.827 4.827 . 0 0 "[ ]" 1
711 1 42 LEU HA 1 42 LEU HB2 2.200 . 3.200 3.007 3.007 3.007 . 0 0 "[ ]" 1
712 1 42 LEU HA 1 42 LEU HB3 2.300 . 3.400 2.663 2.663 2.663 . 0 0 "[ ]" 1
713 1 42 LEU HA 1 42 LEU MD1 3.200 . 5.200 3.602 3.602 3.602 . 0 0 "[ ]" 1
714 1 42 LEU HA 1 42 LEU MD2 2.000 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
715 1 42 LEU HA 1 42 LEU HG 2.600 . 4.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
716 1 42 LEU HA 1 43 GLU H 3.500 . 5.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
717 1 42 LEU HA 1 44 TYR H 3.600 . 5.500 5.183 5.183 5.183 . 0 0 "[ ]" 1
718 1 42 LEU HA 1 45 LYS HB2 2.300 . 3.400 3.021 3.021 3.021 . 0 0 "[ ]" 1
719 1 42 LEU HA 1 45 LYS HB3 2.400 . 3.600 3.176 3.176 3.176 . 0 0 "[ ]" 1
720 1 42 LEU HA 1 45 LYS HD2 3.700 . 5.500 5.427 5.427 5.427 . 0 0 "[ ]" 1
721 1 42 LEU HA 1 45 LYS HD3 3.500 . 5.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
722 1 42 LEU HB2 1 42 LEU MD2 2.200 . 3.200 2.995 2.995 2.995 . 0 0 "[ ]" 1
723 1 42 LEU HB2 1 43 GLU H 2.700 . 4.200 2.846 2.846 2.846 . 0 0 "[ ]" 1
724 1 42 LEU HB3 1 42 LEU MD1 2.100 . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
725 1 42 LEU HB3 1 42 LEU MD2 2.100 . 3.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
726 1 42 LEU HB3 1 42 LEU HG 2.300 . 3.400 2.910 2.910 2.910 . 0 0 "[ ]" 1
727 1 42 LEU HB3 1 43 GLU H 2.900 . 4.600 3.483 3.483 3.483 . 0 0 "[ ]" 1
728 1 42 LEU MD2 1 42 LEU HG 2.000 . 2.800 2.146 2.146 2.146 . 0 0 "[ ]" 1
729 1 42 LEU MD2 1 43 GLU H 3.300 . 5.500 4.887 4.887 4.887 . 0 0 "[ ]" 1
730 1 42 LEU MD2 1 45 LYS HB3 3.500 . 5.500 4.721 4.721 4.721 . 0 0 "[ ]" 1
731 1 43 GLU H 1 43 GLU HA 2.400 . 3.600 2.904 2.904 2.904 . 0 0 "[ ]" 1
732 1 43 GLU H 1 43 GLU HB2 2.300 . 3.400 2.081 2.081 2.081 . 0 0 "[ ]" 1
733 1 43 GLU H 1 43 GLU HG2 2.900 . 4.600 4.411 4.411 4.411 . 0 0 "[ ]" 1
734 1 43 GLU H 1 44 TYR H 2.600 . 4.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
735 1 43 GLU H 1 44 TYR HA 4.600 . 5.500 5.397 5.397 5.397 . 0 0 "[ ]" 1
736 1 43 GLU H 1 45 LYS H 4.400 . 5.500 3.936 3.936 3.936 . 0 0 "[ ]" 1
737 1 43 GLU HA 1 43 GLU HB2 2.100 . 3.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
738 1 43 GLU HA 1 44 TYR H 2.900 . 4.600 3.591 3.591 3.591 . 0 0 "[ ]" 1
739 1 43 GLU HA 1 45 LYS H 4.200 . 5.500 4.516 4.516 4.516 . 0 0 "[ ]" 1
740 1 43 GLU HB2 1 44 TYR H 2.400 . 3.600 3.189 3.189 3.189 . 0 0 "[ ]" 1
741 1 43 GLU HB2 1 44 TYR QD 3.700 . 5.500 5.005 5.005 5.005 . 0 0 "[ ]" 1
742 1 43 GLU HB2 1 44 TYR QE 3.900 . 5.500 5.268 5.268 5.268 . 0 0 "[ ]" 1
743 1 44 TYR H 1 44 TYR HA 2.800 . 4.400 2.812 2.812 2.812 . 0 0 "[ ]" 1
744 1 44 TYR H 1 44 TYR QB 2.400 . 3.600 2.451 2.451 2.451 . 0 0 "[ ]" 1
745 1 44 TYR H 1 44 TYR QD 2.800 . 4.400 2.956 2.956 2.956 . 0 0 "[ ]" 1
746 1 44 TYR H 1 45 LYS H 2.800 . 4.400 2.855 2.855 2.855 . 0 0 "[ ]" 1
747 1 44 TYR H 1 46 SER H 4.200 . 5.500 4.340 4.340 4.340 . 0 0 "[ ]" 1
748 1 44 TYR HA 1 44 TYR QB 2.300 . 3.400 2.377 2.377 2.377 . 0 0 "[ ]" 1
749 1 44 TYR HA 1 44 TYR QD 2.200 . 3.200 1.996 1.996 1.996 . 0 0 "[ ]" 1
750 1 44 TYR HA 1 44 TYR QE 3.200 . 5.200 4.293 4.293 4.293 . 0 0 "[ ]" 1
751 1 44 TYR HA 1 45 LYS H 4.100 . 5.500 3.573 3.573 3.573 . 0 0 "[ ]" 1
752 1 44 TYR HA 1 46 SER H 4.400 . 5.500 4.423 4.423 4.423 . 0 0 "[ ]" 1
753 1 44 TYR HA 1 47 ALA H 3.100 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
754 1 44 TYR HA 1 47 ALA MB 2.200 . 3.200 2.704 2.704 2.704 . 0 0 "[ ]" 1
755 1 44 TYR HA 1 48 LEU H 4.500 . 5.500 3.541 3.541 3.541 . 0 0 "[ ]" 1
756 1 44 TYR HA 1 67 ILE MD 2.400 . 3.600 3.591 3.591 3.591 . 0 0 "[ ]" 1
757 1 44 TYR HA 1 67 ILE MG 2.400 . 3.600 2.602 2.602 2.602 . 0 0 "[ ]" 1
758 1 44 TYR QB 1 44 TYR QD 2.100 . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
759 1 44 TYR QB 1 44 TYR QE 3.700 . 5.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
760 1 44 TYR QB 1 45 LYS H 3.000 . 4.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
761 1 44 TYR QB 1 48 LEU MD2 3.700 . 5.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
762 1 44 TYR QB 1 67 ILE MD 2.200 . 3.200 1.904 1.904 1.904 . 0 0 "[ ]" 1
763 1 44 TYR QB 1 67 ILE MG 2.500 . 3.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
764 1 44 TYR QB 1 68 LYS QG 2.600 . 4.000 7.756 7.756 7.756 3.756 1 1 [+] 1
765 1 44 TYR QB 1 77 ILE MD 2.600 . 4.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
766 1 44 TYR QB 1 77 ILE HG12 3.800 . 5.500 5.412 5.412 5.412 . 0 0 "[ ]" 1
767 1 44 TYR QB 1 77 ILE MG 3.200 . 5.200 3.006 3.006 3.006 . 0 0 "[ ]" 1
768 1 44 TYR QD 1 45 LYS H 3.500 . 5.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
769 1 44 TYR QD 1 67 ILE HB 3.600 . 5.500 3.207 3.207 3.207 . 0 0 "[ ]" 1
770 1 44 TYR QD 1 67 ILE MD 2.800 . 4.400 3.386 3.386 3.386 . 0 0 "[ ]" 1
771 1 44 TYR QD 1 67 ILE MG 2.500 . 3.800 1.893 1.893 1.893 . 0 0 "[ ]" 1
772 1 44 TYR QD 1 77 ILE MD 2.500 . 4.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
773 1 44 TYR QD 1 77 ILE MG 3.900 . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
774 1 44 TYR QE 1 67 ILE HB 3.800 . 5.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
775 1 44 TYR QE 1 67 ILE MD 3.300 . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
776 1 44 TYR QE 1 67 ILE MG 2.800 . 4.400 3.129 3.129 3.129 . 0 0 "[ ]" 1
777 1 44 TYR QE 1 69 ILE MG 3.800 . 5.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
778 1 45 LYS H 1 45 LYS HA 3.000 . 4.800 2.840 2.840 2.840 . 0 0 "[ ]" 1
779 1 45 LYS H 1 45 LYS HB2 2.900 . 4.600 1.981 1.981 1.981 . 0 0 "[ ]" 1
780 1 45 LYS H 1 45 LYS HB3 2.800 . 4.400 3.012 3.012 3.012 . 0 0 "[ ]" 1
781 1 45 LYS H 1 45 LYS HG3 3.100 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
782 1 45 LYS H 1 46 SER H 2.900 . 4.600 2.774 2.774 2.774 . 0 0 "[ ]" 1
783 1 45 LYS H 1 48 LEU MD2 3.600 . 5.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
784 1 45 LYS HA 1 45 LYS HB2 2.400 . 3.600 2.757 2.757 2.757 . 0 0 "[ ]" 1
785 1 45 LYS HA 1 45 LYS HB3 2.400 . 3.600 2.958 2.958 2.958 . 0 0 "[ ]" 1
786 1 45 LYS HA 1 45 LYS HD2 3.700 . 5.500 4.470 4.470 4.470 . 0 0 "[ ]" 1
787 1 45 LYS HA 1 45 LYS HD3 3.600 . 5.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
788 1 45 LYS HA 1 45 LYS HG2 2.700 . 4.200 2.009 2.009 2.009 . 0 0 "[ ]" 1
789 1 45 LYS HA 1 45 LYS HG3 2.300 . 3.400 3.071 3.071 3.071 . 0 0 "[ ]" 1
790 1 45 LYS HA 1 46 SER H 2.900 . 4.600 3.573 3.573 3.573 . 0 0 "[ ]" 1
791 1 45 LYS HA 1 47 ALA H 4.700 . 5.500 4.936 4.936 4.936 . 0 0 "[ ]" 1
792 1 45 LYS HA 1 48 LEU H 3.000 . 4.800 3.997 3.997 3.997 . 0 0 "[ ]" 1
793 1 45 LYS HA 1 48 LEU HB2 2.700 . 4.200 2.888 2.888 2.888 . 0 0 "[ ]" 1
794 1 45 LYS HA 1 48 LEU HB3 3.400 . 5.500 4.099 4.099 4.099 . 0 0 "[ ]" 1
795 1 45 LYS HA 1 48 LEU MD2 2.300 . 3.400 3.322 3.322 3.322 . 0 0 "[ ]" 1
796 1 45 LYS HA 1 49 LEU H 3.800 . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
797 1 45 LYS HA 1 81 LEU MD1 2.300 . 3.400 2.838 2.838 2.838 . 0 0 "[ ]" 1
798 1 45 LYS HA 1 81 LEU MD2 3.200 . 5.200 2.811 2.811 2.811 . 0 0 "[ ]" 1
799 1 45 LYS HB2 1 45 LYS HG3 2.600 . 4.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
800 1 45 LYS HB2 1 46 SER H 2.800 . 4.400 3.323 3.323 3.323 . 0 0 "[ ]" 1
801 1 45 LYS HB3 1 45 LYS HE2 3.500 . 5.500 2.317 2.317 2.317 . 0 0 "[ ]" 1
802 1 45 LYS HB3 1 45 LYS HG3 3.000 . 4.800 2.890 2.890 2.890 . 0 0 "[ ]" 1
803 1 45 LYS HB3 1 46 SER H 2.900 . 4.600 2.604 2.604 2.604 . 0 0 "[ ]" 1
804 1 45 LYS HD2 1 45 LYS HE2 2.400 . 3.600 3.018 3.018 3.018 . 0 0 "[ ]" 1
805 1 45 LYS HD2 1 45 LYS HG2 2.700 . 4.200 2.581 2.581 2.581 . 0 0 "[ ]" 1
806 1 45 LYS HD3 1 45 LYS HE2 2.700 . 4.200 2.629 2.629 2.629 . 0 0 "[ ]" 1
807 1 45 LYS HD3 1 45 LYS HE3 3.000 . 4.800 3.012 3.012 3.012 . 0 0 "[ ]" 1
808 1 45 LYS HD3 1 45 LYS HG2 2.300 . 3.400 3.020 3.020 3.020 . 0 0 "[ ]" 1
809 1 45 LYS HD3 1 45 LYS HG3 3.000 . 4.800 2.580 2.580 2.580 . 0 0 "[ ]" 1
810 1 45 LYS HD3 1 46 SER H 3.000 . 4.800 4.783 4.783 4.783 . 0 0 "[ ]" 1
811 1 45 LYS HE2 1 45 LYS HG2 2.400 . 3.600 2.577 2.577 2.577 . 0 0 "[ ]" 1
812 1 45 LYS HE2 1 45 LYS HG3 2.700 . 4.200 3.635 3.635 3.635 . 0 0 "[ ]" 1
813 1 45 LYS HE2 1 49 LEU MD1 2.400 . 3.600 2.750 2.750 2.750 . 0 0 "[ ]" 1
814 1 45 LYS HE2 1 86 TYR QD 4.700 . 5.500 4.739 4.739 4.739 . 0 0 "[ ]" 1
815 1 45 LYS HE3 1 45 LYS HG2 2.600 . 4.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
816 1 45 LYS HE3 1 86 TYR QE 3.800 . 5.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
817 1 45 LYS HG2 1 81 LEU H 3.700 . 5.500 5.580 5.580 5.580 0.080 1 0 "[ ]" 1
818 1 46 SER H 1 46 SER HA 2.900 . 4.600 2.890 2.890 2.890 . 0 0 "[ ]" 1
819 1 46 SER H 1 46 SER HB2 2.500 . 3.800 1.947 1.947 1.947 . 0 0 "[ ]" 1
820 1 46 SER H 1 47 ALA H 2.900 . 4.600 2.714 2.714 2.714 . 0 0 "[ ]" 1
821 1 46 SER HA 1 46 SER HB2 2.000 . 2.800 2.835 2.835 2.835 0.035 1 0 "[ ]" 1
822 1 46 SER HA 1 47 ALA H 3.200 . 5.200 3.585 3.585 3.585 . 0 0 "[ ]" 1
823 1 46 SER HA 1 48 LEU H 4.600 . 5.500 4.747 4.747 4.747 . 0 0 "[ ]" 1
824 1 46 SER HA 1 49 LEU H 3.300 . 5.500 3.651 3.651 3.651 . 0 0 "[ ]" 1
825 1 46 SER HA 1 49 LEU HB2 2.400 . 3.600 3.012 3.012 3.012 . 0 0 "[ ]" 1
826 1 46 SER HA 1 49 LEU HB3 2.800 . 4.400 3.393 3.393 3.393 . 0 0 "[ ]" 1
827 1 46 SER HA 1 49 LEU MD1 3.100 . 5.000 3.971 3.971 3.971 . 0 0 "[ ]" 1
828 1 46 SER HA 1 50 ASN H 3.300 . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
829 1 46 SER HB2 1 47 ALA H 2.600 . 4.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
830 1 46 SER HB2 1 47 ALA MB 2.800 . 4.400 4.417 4.417 4.417 0.017 1 0 "[ ]" 1
831 1 47 ALA H 1 47 ALA HA 2.700 . 4.200 2.832 2.832 2.832 . 0 0 "[ ]" 1
832 1 47 ALA H 1 47 ALA MB 2.300 . 3.400 1.924 1.924 1.924 . 0 0 "[ ]" 1
833 1 47 ALA H 1 48 LEU H 2.800 . 4.400 2.870 2.870 2.870 . 0 0 "[ ]" 1
834 1 47 ALA H 1 48 LEU MD2 3.700 . 5.500 5.651 5.651 5.651 0.151 1 0 "[ ]" 1
835 1 47 ALA H 1 48 LEU HG 3.800 . 5.500 6.753 6.753 6.753 1.253 1 1 [+] 1
836 1 47 ALA H 1 49 LEU H 4.000 . 5.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
837 1 47 ALA HA 1 47 ALA MB 2.000 . 2.800 2.129 2.129 2.129 . 0 0 "[ ]" 1
838 1 47 ALA HA 1 48 LEU H 3.100 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
839 1 47 ALA HA 1 50 ASN H 3.300 . 5.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
840 1 47 ALA HA 1 50 ASN HB2 2.500 . 3.800 3.241 3.241 3.241 . 0 0 "[ ]" 1
841 1 47 ALA HA 1 50 ASN HB3 2.400 . 3.600 3.356 3.356 3.356 . 0 0 "[ ]" 1
842 1 47 ALA MB 1 48 LEU H 2.600 . 4.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
843 1 47 ALA MB 1 67 ILE MD 2.900 . 4.600 4.608 4.608 4.608 0.008 1 0 "[ ]" 1
844 1 47 ALA MB 1 67 ILE MG 2.500 . 3.800 3.304 3.304 3.304 . 0 0 "[ ]" 1
845 1 48 LEU H 1 48 LEU HA 2.700 . 4.200 2.824 2.824 2.824 . 0 0 "[ ]" 1
846 1 48 LEU H 1 48 LEU HB2 2.700 . 4.200 2.055 2.055 2.055 . 0 0 "[ ]" 1
847 1 48 LEU H 1 48 LEU HB3 2.800 . 4.400 3.425 3.425 3.425 . 0 0 "[ ]" 1
848 1 48 LEU H 1 48 LEU MD2 2.700 . 4.200 3.654 3.654 3.654 . 0 0 "[ ]" 1
849 1 48 LEU H 1 48 LEU HG 2.600 . 4.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
850 1 48 LEU H 1 49 LEU H 3.100 . 5.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
851 1 48 LEU H 1 49 LEU HB2 4.200 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
852 1 48 LEU HA 1 48 LEU HB2 2.500 . 3.800 2.977 2.977 2.977 . 0 0 "[ ]" 1
853 1 48 LEU HA 1 48 LEU HB3 2.300 . 3.400 2.724 2.724 2.724 . 0 0 "[ ]" 1
854 1 48 LEU HA 1 48 LEU MD1 1.800 . 2.400 2.146 2.146 2.146 . 0 0 "[ ]" 1
855 1 48 LEU HA 1 48 LEU MD2 2.200 . 4.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
856 1 48 LEU HA 1 48 LEU HG 2.500 . 3.800 2.376 2.376 2.376 . 0 0 "[ ]" 1
857 1 48 LEU HA 1 49 LEU H 3.400 . 5.500 3.567 3.567 3.567 . 0 0 "[ ]" 1
858 1 48 LEU HA 1 50 ASN H 3.700 . 5.500 4.588 4.588 4.588 . 0 0 "[ ]" 1
859 1 48 LEU HA 1 51 GLU H 3.100 . 5.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
860 1 48 LEU HA 1 52 CYS H 3.200 . 5.200 3.441 3.441 3.441 . 0 0 "[ ]" 1
861 1 48 LEU HB2 1 48 LEU MD1 2.400 . 3.600 2.429 2.429 2.429 . 0 0 "[ ]" 1
862 1 48 LEU HB2 1 48 LEU MD2 2.200 . 3.200 2.396 2.396 2.396 . 0 0 "[ ]" 1
863 1 48 LEU HB2 1 49 LEU H 2.900 . 4.600 2.775 2.775 2.775 . 0 0 "[ ]" 1
864 1 48 LEU HB3 1 48 LEU MD1 2.300 . 3.400 3.199 3.199 3.199 . 0 0 "[ ]" 1
865 1 48 LEU HB3 1 48 LEU MD2 2.200 . 3.200 2.325 2.325 2.325 . 0 0 "[ ]" 1
866 1 48 LEU HB3 1 48 LEU HG 2.300 . 3.400 2.457 2.457 2.457 . 0 0 "[ ]" 1
867 1 48 LEU HB3 1 49 LEU H 3.200 . 5.200 3.165 3.165 3.165 . 0 0 "[ ]" 1
868 1 48 LEU HB3 1 87 ILE MD 2.300 . 3.400 3.174 3.174 3.174 . 0 0 "[ ]" 1
869 1 48 LEU MD1 1 48 LEU HG 2.100 . 3.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
870 1 48 LEU MD1 1 67 ILE MG 2.300 . 3.400 1.713 1.713 1.713 . 0 0 "[ ]" 1
871 1 48 LEU MD1 1 78 TYR QD 3.300 . 5.500 4.134 4.134 4.134 . 0 0 "[ ]" 1
872 1 48 LEU MD1 1 78 TYR QE 4.300 . 5.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
873 1 48 LEU MD2 1 48 LEU HG 2.200 . 3.200 2.145 2.145 2.145 . 0 0 "[ ]" 1
874 1 48 LEU MD2 1 67 ILE MD 2.500 . 3.800 1.739 1.739 1.739 . 0 0 "[ ]" 1
875 1 48 LEU HG 1 49 LEU H 3.500 . 5.500 5.001 5.001 5.001 . 0 0 "[ ]" 1
876 1 48 LEU HG 1 67 ILE MD 2.600 . 4.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
877 1 48 LEU HG 1 67 ILE MG 3.400 . 5.500 3.845 3.845 3.845 . 0 0 "[ ]" 1
878 1 49 LEU H 1 49 LEU HA 2.900 . 4.600 2.859 2.859 2.859 . 0 0 "[ ]" 1
879 1 49 LEU H 1 49 LEU HB2 3.100 . 5.000 2.025 2.025 2.025 . 0 0 "[ ]" 1
880 1 49 LEU H 1 49 LEU HB3 2.800 . 4.400 2.918 2.918 2.918 . 0 0 "[ ]" 1
881 1 49 LEU H 1 49 LEU MD1 2.600 . 4.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
882 1 49 LEU H 1 50 ASN H 3.100 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
883 1 49 LEU H 1 50 ASN HB2 4.700 . 5.500 4.622 4.622 4.622 . 0 0 "[ ]" 1
884 1 49 LEU H 1 50 ASN HB3 5.200 . 5.500 5.346 5.346 5.346 . 0 0 "[ ]" 1
885 1 49 LEU HA 1 49 LEU HB2 2.300 . 3.400 2.720 2.720 2.720 . 0 0 "[ ]" 1
886 1 49 LEU HA 1 49 LEU HB3 2.200 . 3.200 2.979 2.979 2.979 . 0 0 "[ ]" 1
887 1 49 LEU HA 1 49 LEU MD1 2.100 . 3.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
888 1 49 LEU HA 1 49 LEU HG 3.000 . 4.800 2.156 2.156 2.156 . 0 0 "[ ]" 1
889 1 49 LEU HA 1 50 ASN H 3.200 . 5.200 3.579 3.579 3.579 . 0 0 "[ ]" 1
890 1 49 LEU HA 1 51 GLU H 4.500 . 5.500 4.941 4.941 4.941 . 0 0 "[ ]" 1
891 1 49 LEU HA 1 52 CYS HB2 2.700 . 4.200 3.787 3.787 3.787 . 0 0 "[ ]" 1
892 1 49 LEU HA 1 52 CYS HB3 2.400 . 3.600 2.935 2.935 2.935 . 0 0 "[ ]" 1
893 1 49 LEU HA 1 53 HIS H 3.300 . 5.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
894 1 49 LEU HA 1 87 ILE MG 2.400 . 3.600 2.464 2.464 2.464 . 0 0 "[ ]" 1
895 1 49 LEU HB2 1 49 LEU MD1 2.500 . 3.800 1.989 1.989 1.989 . 0 0 "[ ]" 1
896 1 49 LEU HB2 1 50 ASN H 2.700 . 4.200 3.374 3.374 3.374 . 0 0 "[ ]" 1
897 1 49 LEU HB3 1 49 LEU MD1 2.500 . 3.800 3.056 3.056 3.056 . 0 0 "[ ]" 1
898 1 49 LEU HB3 1 50 ASN H 2.900 . 4.600 2.500 2.500 2.500 . 0 0 "[ ]" 1
899 1 49 LEU MD1 1 50 ASN H 3.300 . 5.500 4.754 4.754 4.754 . 0 0 "[ ]" 1
900 1 49 LEU MD1 1 86 TYR HA 2.600 . 4.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
901 1 49 LEU MD1 1 86 TYR HB2 2.300 . 3.400 3.409 3.409 3.409 0.009 1 0 "[ ]" 1
902 1 49 LEU MD1 1 86 TYR HB3 2.500 . 3.800 1.978 1.978 1.978 . 0 0 "[ ]" 1
903 1 49 LEU MD1 1 86 TYR QD 2.600 . 4.000 1.992 1.992 1.992 . 0 0 "[ ]" 1
904 1 49 LEU MD1 1 86 TYR QE 2.800 . 4.400 3.908 3.908 3.908 . 0 0 "[ ]" 1
905 1 50 ASN H 1 50 ASN HA 2.800 . 4.400 2.881 2.881 2.881 . 0 0 "[ ]" 1
906 1 50 ASN H 1 50 ASN HB2 2.600 . 4.000 2.065 2.065 2.065 . 0 0 "[ ]" 1
907 1 50 ASN H 1 50 ASN HB3 2.700 . 4.200 2.874 2.874 2.874 . 0 0 "[ ]" 1
908 1 50 ASN H 1 51 GLU H 2.700 . 4.200 2.755 2.755 2.755 . 0 0 "[ ]" 1
909 1 50 ASN HA 1 50 ASN HB2 2.300 . 3.400 2.706 2.706 2.706 . 0 0 "[ ]" 1
910 1 50 ASN HA 1 50 ASN HB3 2.400 . 3.600 2.985 2.985 2.985 . 0 0 "[ ]" 1
911 1 50 ASN HA 1 51 GLU H 3.100 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
912 1 50 ASN HA 1 52 CYS H 4.800 . 5.500 4.855 4.855 4.855 . 0 0 "[ ]" 1
913 1 50 ASN HA 1 53 HIS HB2 2.300 . 3.400 3.590 3.590 3.590 0.190 1 0 "[ ]" 1
914 1 50 ASN HB2 1 51 GLU H 2.800 . 4.400 3.320 3.320 3.320 . 0 0 "[ ]" 1
915 1 50 ASN HB3 1 51 GLU H 2.800 . 4.400 2.305 2.305 2.305 . 0 0 "[ ]" 1
916 1 51 GLU H 1 51 GLU HA 2.700 . 4.200 2.846 2.846 2.846 . 0 0 "[ ]" 1
917 1 51 GLU H 1 51 GLU HB2 2.400 . 3.600 2.065 2.065 2.065 . 0 0 "[ ]" 1
918 1 51 GLU H 1 51 GLU HB3 2.600 . 4.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
919 1 51 GLU H 1 51 GLU HG2 2.900 . 4.600 4.602 4.602 4.602 0.002 1 0 "[ ]" 1
920 1 51 GLU H 1 52 CYS H 2.600 . 4.000 2.851 2.851 2.851 . 0 0 "[ ]" 1
921 1 51 GLU H 1 52 CYS HA 5.100 . 5.500 5.467 5.467 5.467 . 0 0 "[ ]" 1
922 1 51 GLU H 1 52 CYS HB2 4.900 . 5.500 4.985 4.985 4.985 . 0 0 "[ ]" 1
923 1 51 GLU H 1 52 CYS HB3 4.900 . 5.500 4.940 4.940 4.940 . 0 0 "[ ]" 1
924 1 51 GLU H 1 54 LYS HB3 4.000 . 5.500 5.821 5.821 5.821 0.321 1 0 "[ ]" 1
925 1 51 GLU HA 1 51 GLU HB2 2.300 . 3.400 2.681 2.681 2.681 . 0 0 "[ ]" 1
926 1 51 GLU HA 1 51 GLU HB3 2.400 . 3.600 2.997 2.997 2.997 . 0 0 "[ ]" 1
927 1 51 GLU HA 1 51 GLU HG2 2.300 . 3.400 3.391 3.391 3.391 . 0 0 "[ ]" 1
928 1 51 GLU HA 1 53 HIS H 4.700 . 5.500 4.443 4.443 4.443 . 0 0 "[ ]" 1
929 1 51 GLU HA 1 54 LYS H 3.000 . 4.800 3.304 3.304 3.304 . 0 0 "[ ]" 1
930 1 51 GLU HA 1 54 LYS HB3 2.100 . 3.000 3.143 3.143 3.143 0.143 1 0 "[ ]" 1
931 1 51 GLU HA 1 54 LYS HE3 2.700 . 4.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
932 1 51 GLU HA 1 55 GLN H 3.800 . 5.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
933 1 51 GLU HB2 1 51 GLU HG2 2.100 . 3.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
934 1 51 GLU HB2 1 52 CYS H 3.400 . 5.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
935 1 51 GLU HB2 1 58 LEU MD1 3.200 . 5.200 5.063 5.063 5.063 . 0 0 "[ ]" 1
936 1 51 GLU HB2 1 66 LEU MD1 2.400 . 4.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
937 1 51 GLU HB2 1 66 LEU QD 2.600 . 4.000 2.967 2.967 2.967 . 0 0 "[ ]" 1
938 1 51 GLU HB3 1 51 GLU HG2 2.700 . 4.200 2.250 2.250 2.250 . 0 0 "[ ]" 1
939 1 51 GLU HB3 1 52 CYS H 2.700 . 4.200 2.287 2.287 2.287 . 0 0 "[ ]" 1
940 1 51 GLU HB3 1 66 LEU QD 3.000 . 4.800 2.860 2.860 2.860 . 0 0 "[ ]" 1
941 1 51 GLU HG2 1 52 CYS H 3.300 . 5.500 4.288 4.288 4.288 . 0 0 "[ ]" 1
942 1 51 GLU HG2 1 58 LEU MD1 2.200 . 3.200 3.205 3.205 3.205 0.005 1 0 "[ ]" 1
943 1 51 GLU HG2 1 66 LEU MD2 2.300 . 3.400 2.774 2.774 2.774 . 0 0 "[ ]" 1
944 1 52 CYS H 1 52 CYS HA 2.900 . 4.600 2.807 2.807 2.807 . 0 0 "[ ]" 1
945 1 52 CYS H 1 52 CYS HB2 2.700 . 4.200 2.290 2.290 2.290 . 0 0 "[ ]" 1
946 1 52 CYS H 1 52 CYS HB3 2.700 . 4.200 2.593 2.593 2.593 . 0 0 "[ ]" 1
947 1 52 CYS H 1 53 HIS H 2.800 . 4.400 2.874 2.874 2.874 . 0 0 "[ ]" 1
948 1 52 CYS HA 1 52 CYS HB2 2.300 . 3.400 2.526 2.526 2.526 . 0 0 "[ ]" 1
949 1 52 CYS HA 1 52 CYS HB3 2.400 . 3.600 3.040 3.040 3.040 . 0 0 "[ ]" 1
950 1 52 CYS HA 1 53 HIS H 3.300 . 5.500 3.575 3.575 3.575 . 0 0 "[ ]" 1
951 1 52 CYS HA 1 58 LEU HB2 2.500 . 3.800 2.387 2.387 2.387 . 0 0 "[ ]" 1
952 1 52 CYS HA 1 58 LEU HB3 3.100 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
953 1 52 CYS HA 1 58 LEU MD1 2.600 . 4.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
954 1 52 CYS HB2 1 53 HIS H 3.200 . 5.200 3.733 3.733 3.733 . 0 0 "[ ]" 1
955 1 52 CYS HB2 1 58 LEU HB2 2.500 . 3.800 3.782 3.782 3.782 . 0 0 "[ ]" 1
956 1 52 CYS HB2 1 58 LEU HB3 2.800 . 4.400 3.742 3.742 3.742 . 0 0 "[ ]" 1
957 1 52 CYS HB2 1 58 LEU MD1 3.000 . 4.800 4.211 4.211 4.211 . 0 0 "[ ]" 1
958 1 52 CYS HB2 1 87 ILE MG 2.400 . 3.600 2.798 2.798 2.798 . 0 0 "[ ]" 1
959 1 52 CYS HB3 1 58 LEU HB2 3.400 . 5.500 4.822 4.822 4.822 . 0 0 "[ ]" 1
960 1 52 CYS HB3 1 58 LEU HB3 3.500 . 5.500 5.110 5.110 5.110 . 0 0 "[ ]" 1
961 1 52 CYS HB3 1 87 ILE MG 2.300 . 3.400 2.794 2.794 2.794 . 0 0 "[ ]" 1
962 1 53 HIS H 1 53 HIS HA 2.700 . 4.200 2.886 2.886 2.886 . 0 0 "[ ]" 1
963 1 53 HIS H 1 53 HIS HB2 2.700 . 4.200 2.221 2.221 2.221 . 0 0 "[ ]" 1
964 1 53 HIS H 1 54 LYS H 2.800 . 4.400 2.583 2.583 2.583 . 0 0 "[ ]" 1
965 1 53 HIS H 1 54 LYS HB3 3.900 . 5.500 5.443 5.443 5.443 . 0 0 "[ ]" 1
966 1 53 HIS HA 1 53 HIS HB2 2.100 . 3.000 2.607 2.607 2.607 . 0 0 "[ ]" 1
967 1 53 HIS HA 1 53 HIS HD2 2.900 . 4.600 4.044 4.044 4.044 . 0 0 "[ ]" 1
968 1 53 HIS HA 1 54 LYS H 3.000 . 4.800 3.539 3.539 3.539 . 0 0 "[ ]" 1
969 1 53 HIS HB2 1 53 HIS HD2 3.600 . 5.500 3.922 3.922 3.922 . 0 0 "[ ]" 1
970 1 53 HIS HB2 1 54 LYS H 2.700 . 4.200 3.720 3.720 3.720 . 0 0 "[ ]" 1
971 1 54 LYS H 1 54 LYS HA 2.600 . 4.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
972 1 54 LYS H 1 54 LYS HB3 2.300 . 3.400 3.034 3.034 3.034 . 0 0 "[ ]" 1
973 1 54 LYS H 1 54 LYS HD2 3.300 . 5.500 4.601 4.601 4.601 . 0 0 "[ ]" 1
974 1 54 LYS H 1 54 LYS HE3 4.200 . 5.500 3.262 3.262 3.262 . 0 0 "[ ]" 1
975 1 54 LYS H 1 54 LYS HG2 3.200 . 5.200 4.525 4.525 4.525 . 0 0 "[ ]" 1
976 1 54 LYS H 1 54 LYS HG3 2.800 . 4.400 3.834 3.834 3.834 . 0 0 "[ ]" 1
977 1 54 LYS H 1 55 GLN H 3.000 . 4.800 2.765 2.765 2.765 . 0 0 "[ ]" 1
978 1 54 LYS H 1 55 GLN HG3 3.600 . 5.500 4.493 4.493 4.493 . 0 0 "[ ]" 1
979 1 54 LYS HA 1 54 LYS HB3 2.500 . 3.800 2.932 2.932 2.932 . 0 0 "[ ]" 1
980 1 54 LYS HA 1 54 LYS HE3 2.400 . 3.600 3.545 3.545 3.545 . 0 0 "[ ]" 1
981 1 54 LYS HA 1 54 LYS HG2 2.400 . 3.600 2.843 2.843 2.843 . 0 0 "[ ]" 1
982 1 54 LYS HA 1 54 LYS HG3 2.600 . 4.000 2.097 2.097 2.097 . 0 0 "[ ]" 1
983 1 54 LYS HA 1 55 GLN H 3.000 . 4.800 3.593 3.593 3.593 . 0 0 "[ ]" 1
984 1 54 LYS HB3 1 54 LYS HE3 2.600 . 4.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
985 1 54 LYS HB3 1 54 LYS HG3 2.100 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
986 1 54 LYS HB3 1 55 GLN H 2.600 . 4.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
987 1 54 LYS HB3 1 55 GLN HG3 2.600 . 4.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
988 1 54 LYS HB3 1 56 GLY H 4.900 . 5.500 4.647 4.647 4.647 . 0 0 "[ ]" 1
989 1 54 LYS HD2 1 54 LYS HE3 2.100 . 3.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
990 1 54 LYS HD2 1 54 LYS HG2 2.400 . 3.600 2.541 2.541 2.541 . 0 0 "[ ]" 1
991 1 54 LYS HE3 1 54 LYS HG2 2.200 . 4.500 3.540 3.540 3.540 . 0 0 "[ ]" 1
992 1 54 LYS HE3 1 54 LYS HG3 2.000 . 2.800 2.401 2.401 2.401 . 0 0 "[ ]" 1
993 1 55 GLN H 1 55 GLN HA 2.900 . 4.600 2.917 2.917 2.917 . 0 0 "[ ]" 1
994 1 55 GLN H 1 55 GLN HB2 2.600 . 4.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
995 1 55 GLN H 1 55 GLN HB3 2.700 . 4.200 3.532 3.532 3.532 . 0 0 "[ ]" 1
996 1 55 GLN H 1 56 GLY H 3.300 . 5.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
997 1 55 GLN H 1 56 GLY HA3 4.300 . 5.500 5.043 5.043 5.043 . 0 0 "[ ]" 1
998 1 55 GLN HA 1 55 GLN HB2 2.400 . 3.600 3.042 3.042 3.042 . 0 0 "[ ]" 1
999 1 55 GLN HA 1 55 GLN HB3 2.400 . 3.600 2.502 2.502 2.502 . 0 0 "[ ]" 1
1000 1 55 GLN HA 1 55 GLN HG3 2.300 . 3.400 3.123 3.123 3.123 . 0 0 "[ ]" 1
1001 1 55 GLN HA 1 56 GLY H 3.000 . 4.800 3.537 3.537 3.537 . 0 0 "[ ]" 1
1002 1 55 GLN HA 1 57 GLY H 3.300 . 5.500 6.396 6.396 6.396 0.896 1 1 [+] 1
1003 1 55 GLN HB2 1 57 GLY H 3.300 . 5.500 4.885 4.885 4.885 . 0 0 "[ ]" 1
1004 1 55 GLN HB3 1 55 GLN HG3 2.200 . 3.200 3.031 3.031 3.031 . 0 0 "[ ]" 1
1005 1 55 GLN HB3 1 56 GLY H 3.300 . 5.500 3.754 3.754 3.754 . 0 0 "[ ]" 1
1006 1 55 GLN HB3 1 57 GLY H 3.200 . 5.200 5.512 5.512 5.512 0.312 1 0 "[ ]" 1
1007 1 55 GLN HG3 1 56 GLY H 3.200 . 5.200 4.222 4.222 4.222 . 0 0 "[ ]" 1
1008 1 55 GLN HG3 1 58 LEU MD1 3.300 . 5.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
1009 1 56 GLY H 1 56 GLY HA2 2.800 . 4.400 2.345 2.345 2.345 . 0 0 "[ ]" 1
1010 1 56 GLY H 1 56 GLY HA3 2.700 . 4.200 2.836 2.836 2.836 . 0 0 "[ ]" 1
1011 1 56 GLY H 1 57 GLY H 2.600 . 4.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
1012 1 56 GLY HA2 1 57 GLY H 3.000 . 4.800 2.230 2.230 2.230 . 0 0 "[ ]" 1
1013 1 56 GLY HA3 1 57 GLY H 2.500 . 3.800 3.428 3.428 3.428 . 0 0 "[ ]" 1
1014 1 57 GLY H 1 57 GLY HA2 2.700 . 4.200 2.489 2.489 2.489 . 0 0 "[ ]" 1
1015 1 57 GLY H 1 58 LEU H 3.800 . 5.500 2.048 2.048 2.048 . 0 0 "[ ]" 1
1016 1 57 GLY H 1 58 LEU HB2 3.800 . 5.500 3.690 3.690 3.690 . 0 0 "[ ]" 1
1017 1 57 GLY HA2 1 58 LEU H 2.900 . 4.600 2.912 2.912 2.912 . 0 0 "[ ]" 1
1018 1 57 GLY HA2 1 90 ALA H 4.000 . 5.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
1019 1 58 LEU H 1 58 LEU HB2 2.800 . 4.400 2.190 2.190 2.190 . 0 0 "[ ]" 1
1020 1 58 LEU H 1 58 LEU HB3 3.500 . 5.500 2.858 2.858 2.858 . 0 0 "[ ]" 1
1021 1 58 LEU H 1 58 LEU MD1 4.200 . 5.500 3.650 3.650 3.650 . 0 0 "[ ]" 1
1022 1 58 LEU H 1 59 ARG H 5.300 . 5.500 4.595 4.595 4.595 . 0 0 "[ ]" 1
1023 1 58 LEU H 1 88 THR H 2.700 . 4.200 4.407 4.407 4.407 0.207 1 0 "[ ]" 1
1024 1 58 LEU H 1 88 THR HA 2.900 . 4.600 6.315 6.315 6.315 1.715 1 1 [+] 1
1025 1 58 LEU H 1 88 THR HB 4.400 . 5.500 5.060 5.060 5.060 . 0 0 "[ ]" 1
1026 1 58 LEU H 1 90 ALA H 3.400 . 5.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
1027 1 58 LEU HA 1 58 LEU HB2 2.700 . 4.200 2.721 2.721 2.721 . 0 0 "[ ]" 1
1028 1 58 LEU HA 1 58 LEU HB3 2.600 . 4.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
1029 1 58 LEU HA 1 58 LEU MD1 2.300 . 3.400 2.448 2.448 2.448 . 0 0 "[ ]" 1
1030 1 58 LEU HA 1 58 LEU HG 3.100 . 5.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
1031 1 58 LEU HA 1 59 ARG H 2.800 . 4.400 2.242 2.242 2.242 . 0 0 "[ ]" 1
1032 1 58 LEU HA 1 90 ALA MB 3.200 . 5.200 4.496 4.496 4.496 . 0 0 "[ ]" 1
1033 1 58 LEU HB2 1 58 LEU MD1 2.500 . 3.800 2.196 2.196 2.196 . 0 0 "[ ]" 1
1034 1 58 LEU HB2 1 59 ARG H 3.900 . 5.500 4.459 4.459 4.459 . 0 0 "[ ]" 1
1035 1 58 LEU HB2 1 87 ILE MD 3.500 . 5.500 5.315 5.315 5.315 . 0 0 "[ ]" 1
1036 1 58 LEU HB3 1 58 LEU MD1 2.200 . 3.200 3.120 3.120 3.120 . 0 0 "[ ]" 1
1037 1 58 LEU HB3 1 87 ILE MD 2.700 . 4.200 4.059 4.059 4.059 . 0 0 "[ ]" 1
1038 1 58 LEU MD1 1 59 ARG H 3.200 . 5.200 3.975 3.975 3.975 . 0 0 "[ ]" 1
1039 1 58 LEU MD1 1 62 GLN H 3.900 . 5.500 5.201 5.201 5.201 . 0 0 "[ ]" 1
1040 1 58 LEU MD1 1 62 GLN HB2 3.100 . 5.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
1041 1 58 LEU MD1 1 62 GLN HB3 2.300 . 3.400 2.629 2.629 2.629 . 0 0 "[ ]" 1
1042 1 58 LEU MD1 1 78 TYR QE 3.400 . 5.500 5.117 5.117 5.117 . 0 0 "[ ]" 1
1043 1 58 LEU HG 1 78 TYR QE 3.200 . 5.200 4.633 4.633 4.633 . 0 0 "[ ]" 1
1044 1 59 ARG H 1 59 ARG HB2 3.300 . 5.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
1045 1 59 ARG H 1 59 ARG HB3 3.400 . 5.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
1046 1 59 ARG H 1 59 ARG HG2 3.100 . 5.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
1047 1 59 ARG H 1 62 GLN H 4.100 . 5.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
1048 1 59 ARG H 1 62 GLN HB2 3.200 . 5.200 3.059 3.059 3.059 . 0 0 "[ ]" 1
1049 1 59 ARG H 1 62 GLN HB3 5.100 . 5.500 4.262 4.262 4.262 . 0 0 "[ ]" 1
1050 1 59 ARG H 1 62 GLN HG3 4.500 . 5.500 1.979 1.979 1.979 . 0 0 "[ ]" 1
1051 1 59 ARG H 1 63 ALA H 4.600 . 5.500 4.810 4.810 4.810 . 0 0 "[ ]" 1
1052 1 59 ARG HA 1 59 ARG HG2 3.200 . 5.200 1.987 1.987 1.987 . 0 0 "[ ]" 1
1053 1 59 ARG HB2 1 59 ARG HD2 3.400 . 5.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
1054 1 59 ARG HB2 1 59 ARG HD3 3.300 . 5.500 3.802 3.802 3.802 . 0 0 "[ ]" 1
1055 1 59 ARG HB2 1 60 LEU H 3.800 . 5.500 3.703 3.703 3.703 . 0 0 "[ ]" 1
1056 1 59 ARG HB2 1 61 ALA H 3.300 . 5.500 4.164 4.164 4.164 . 0 0 "[ ]" 1
1057 1 59 ARG HB2 1 62 GLN H 2.800 . 4.400 4.017 4.017 4.017 . 0 0 "[ ]" 1
1058 1 59 ARG HB2 1 62 GLN HG3 2.600 . 4.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
1059 1 59 ARG HB3 1 59 ARG HD2 2.500 . 3.800 2.281 2.281 2.281 . 0 0 "[ ]" 1
1060 1 59 ARG HB3 1 59 ARG HD3 2.300 . 3.400 2.663 2.663 2.663 . 0 0 "[ ]" 1
1061 1 59 ARG HB3 1 59 ARG HG2 2.100 . 3.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
1062 1 59 ARG HB3 1 60 LEU H 3.100 . 5.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
1063 1 59 ARG HB3 1 61 ALA H 2.900 . 4.600 2.663 2.663 2.663 . 0 0 "[ ]" 1
1064 1 59 ARG HB3 1 62 GLN H 3.200 . 5.200 3.691 3.691 3.691 . 0 0 "[ ]" 1
1065 1 59 ARG HD2 1 59 ARG HG2 2.500 . 3.800 3.042 3.042 3.042 . 0 0 "[ ]" 1
1066 1 59 ARG HD3 1 59 ARG HG2 2.400 . 3.600 2.436 2.436 2.436 . 0 0 "[ ]" 1
1067 1 60 LEU H 1 60 LEU HB2 2.900 . 4.600 1.943 1.943 1.943 . 0 0 "[ ]" 1
1068 1 60 LEU H 1 60 LEU HB3 2.800 . 4.400 3.243 3.243 3.243 . 0 0 "[ ]" 1
1069 1 60 LEU H 1 60 LEU QD 4.200 . 5.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
1070 1 60 LEU H 1 60 LEU HG 4.100 . 5.500 4.235 4.235 4.235 . 0 0 "[ ]" 1
1071 1 60 LEU H 1 61 ALA H 3.900 . 5.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
1072 1 60 LEU HA 1 60 LEU HB2 2.400 . 3.600 2.893 2.893 2.893 . 0 0 "[ ]" 1
1073 1 60 LEU HA 1 60 LEU HB3 2.300 . 3.400 2.852 2.852 2.852 . 0 0 "[ ]" 1
1074 1 60 LEU HA 1 60 LEU QD . . 3.000 1.807 1.807 1.807 . 0 0 "[ ]" 1
1075 1 60 LEU HA 1 60 LEU HG 3.100 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
1076 1 60 LEU HA 1 61 ALA H 3.200 . 5.200 3.577 3.577 3.577 . 0 0 "[ ]" 1
1077 1 60 LEU HA 1 62 GLN H 4.400 . 5.500 4.528 4.528 4.528 . 0 0 "[ ]" 1
1078 1 60 LEU HA 1 63 ALA H 3.000 . 4.800 3.324 3.324 3.324 . 0 0 "[ ]" 1
1079 1 60 LEU HA 1 63 ALA MB 2.200 . 3.200 2.499 2.499 2.499 . 0 0 "[ ]" 1
1080 1 60 LEU HA 1 78 TYR QD 3.500 . 5.500 2.172 2.172 2.172 . 0 0 "[ ]" 1
1081 1 60 LEU HB2 1 60 LEU QD 2.200 . 3.200 2.264 2.264 2.264 . 0 0 "[ ]" 1
1082 1 60 LEU HB2 1 60 LEU HG 2.300 . 3.400 2.524 2.524 2.524 . 0 0 "[ ]" 1
1083 1 60 LEU HB2 1 61 ALA H 2.800 . 4.400 2.965 2.965 2.965 . 0 0 "[ ]" 1
1084 1 60 LEU HB3 1 60 LEU QD 2.400 . 3.600 2.336 2.336 2.336 . 0 0 "[ ]" 1
1085 1 60 LEU HB3 1 60 LEU HG 2.300 . 3.400 2.408 2.408 2.408 . 0 0 "[ ]" 1
1086 1 60 LEU HB3 1 61 ALA H 3.000 . 4.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
1087 1 60 LEU MD1 1 60 LEU MD2 2.000 . 2.800 2.039 2.039 2.039 . 0 0 "[ ]" 1
1088 1 60 LEU QD 1 60 LEU HG 2.000 . 2.800 1.894 1.894 1.894 . 0 0 "[ ]" 1
1089 1 60 LEU QD 1 61 ALA H 3.400 . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
1090 1 60 LEU QD 1 63 ALA MB 2.300 . 3.400 2.351 2.351 2.351 . 0 0 "[ ]" 1
1091 1 60 LEU QD 1 64 ARG QG 3.300 . 5.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
1092 1 60 LEU QD 1 74 THR MG 2.200 . 3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1
1093 1 60 LEU QD 1 75 ARG H 2.900 . 4.600 4.168 4.168 4.168 . 0 0 "[ ]" 1
1094 1 60 LEU QD 1 75 ARG HA 2.100 . 3.000 1.880 1.880 1.880 . 0 0 "[ ]" 1
1095 1 60 LEU QD 1 75 ARG HB2 3.700 . 5.500 4.094 4.094 4.094 . 0 0 "[ ]" 1
1096 1 60 LEU QD 1 75 ARG HB3 3.300 . 5.500 3.802 3.802 3.802 . 0 0 "[ ]" 1
1097 1 60 LEU QD 1 78 TYR H 4.000 . 5.500 3.777 3.777 3.777 . 0 0 "[ ]" 1
1098 1 60 LEU QD 1 78 TYR HB2 2.200 . 3.200 2.670 2.670 2.670 . 0 0 "[ ]" 1
1099 1 60 LEU QD 1 78 TYR HB3 2.400 . 3.600 1.821 1.821 1.821 . 0 0 "[ ]" 1
1100 1 60 LEU QD 1 78 TYR QD 2.800 . 4.400 1.664 1.664 1.664 . 0 0 "[ ]" 1
1101 1 60 LEU QD 1 78 TYR QE 3.900 . 5.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
1102 1 60 LEU QD 1 79 ASP H 4.700 . 5.500 2.939 2.939 2.939 . 0 0 "[ ]" 1
1103 1 60 LEU QD 1 82 ILE MD 2.200 . 3.200 3.090 3.090 3.090 . 0 0 "[ ]" 1
1104 1 60 LEU QD 1 82 ILE HG13 2.400 . 3.600 2.340 2.340 2.340 . 0 0 "[ ]" 1
1105 1 60 LEU QD 1 83 ARG HD3 2.300 . 4.500 4.498 4.498 4.498 . 0 0 "[ ]" 1
1106 1 60 LEU HG 1 61 ALA H 3.100 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
1107 1 60 LEU HG 1 61 ALA HA 2.700 . 4.200 6.197 6.197 6.197 1.997 1 1 [+] 1
1108 1 60 LEU HG 1 64 ARG QD 2.900 . 4.600 4.528 4.528 4.528 . 0 0 "[ ]" 1
1109 1 61 ALA H 1 61 ALA HA 2.600 . 4.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
1110 1 61 ALA H 1 61 ALA MB 2.300 . 3.400 1.923 1.923 1.923 . 0 0 "[ ]" 1
1111 1 61 ALA H 1 62 GLN H 2.900 . 4.600 3.013 3.013 3.013 . 0 0 "[ ]" 1
1112 1 61 ALA H 1 63 ALA H 3.200 . 5.200 4.173 4.173 4.173 . 0 0 "[ ]" 1
1113 1 61 ALA H 1 64 ARG H 4.500 . 5.500 4.927 4.927 4.927 . 0 0 "[ ]" 1
1114 1 61 ALA HA 1 62 GLN H 3.000 . 4.800 3.591 3.591 3.591 . 0 0 "[ ]" 1
1115 1 61 ALA HA 1 64 ARG HB2 2.900 . 4.600 2.990 2.990 2.990 . 0 0 "[ ]" 1
1116 1 61 ALA HA 1 64 ARG HB3 3.200 . 5.200 4.617 4.617 4.617 . 0 0 "[ ]" 1
1117 1 61 ALA HA 1 64 ARG QG 2.600 . 4.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
1118 1 61 ALA MB 1 62 GLN H 2.700 . 4.200 2.361 2.361 2.361 . 0 0 "[ ]" 1
1119 1 61 ALA MB 1 62 GLN HA 3.600 . 5.500 3.706 3.706 3.706 . 0 0 "[ ]" 1
1120 1 62 GLN H 1 62 GLN HA 2.800 . 4.400 2.846 2.846 2.846 . 0 0 "[ ]" 1
1121 1 62 GLN H 1 62 GLN HB2 2.400 . 3.600 2.509 2.509 2.509 . 0 0 "[ ]" 1
1122 1 62 GLN H 1 62 GLN HB3 2.900 . 4.600 3.526 3.526 3.526 . 0 0 "[ ]" 1
1123 1 62 GLN H 1 62 GLN HG3 2.800 . 4.400 2.321 2.321 2.321 . 0 0 "[ ]" 1
1124 1 62 GLN H 1 63 ALA H 2.500 . 3.800 2.705 2.705 2.705 . 0 0 "[ ]" 1
1125 1 62 GLN H 1 64 ARG H 3.600 . 5.500 4.627 4.627 4.627 . 0 0 "[ ]" 1
1126 1 62 GLN HA 1 62 GLN HB2 2.200 . 3.200 3.043 3.043 3.043 . 0 0 "[ ]" 1
1127 1 62 GLN HA 1 62 GLN HB3 2.300 . 3.400 2.460 2.460 2.460 . 0 0 "[ ]" 1
1128 1 62 GLN HA 1 62 GLN HG3 2.500 . 3.800 3.609 3.609 3.609 . 0 0 "[ ]" 1
1129 1 62 GLN HA 1 63 ALA H 3.000 . 4.800 3.545 3.545 3.545 . 0 0 "[ ]" 1
1130 1 62 GLN HA 1 64 ARG H 3.600 . 5.500 4.937 4.937 4.937 . 0 0 "[ ]" 1
1131 1 62 GLN HA 1 65 ALA MB 2.400 . 3.600 2.443 2.443 2.443 . 0 0 "[ ]" 1
1132 1 62 GLN HB2 1 63 ALA H 2.500 . 3.800 2.618 2.618 2.618 . 0 0 "[ ]" 1
1133 1 62 GLN HB3 1 62 GLN HG3 2.300 . 3.400 2.923 2.923 2.923 . 0 0 "[ ]" 1
1134 1 62 GLN HB3 1 63 ALA H 3.000 . 4.800 3.785 3.785 3.785 . 0 0 "[ ]" 1
1135 1 62 GLN HB3 1 66 LEU QD 3.600 . 5.500 3.348 3.348 3.348 . 0 0 "[ ]" 1
1136 1 62 GLN HG3 1 63 ALA H 3.200 . 5.200 4.240 4.240 4.240 . 0 0 "[ ]" 1
1137 1 63 ALA H 1 63 ALA HA 2.600 . 4.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
1138 1 63 ALA H 1 63 ALA MB 2.300 . 3.400 2.132 2.132 2.132 . 0 0 "[ ]" 1
1139 1 63 ALA H 1 64 ARG H 2.600 . 4.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
1140 1 63 ALA H 1 65 ALA H 3.800 . 5.500 3.774 3.774 3.774 . 0 0 "[ ]" 1
1141 1 63 ALA HA 1 63 ALA MB 1.800 . 2.400 2.162 2.162 2.162 . 0 0 "[ ]" 1
1142 1 63 ALA HA 1 64 ARG H 2.800 . 4.400 3.588 3.588 3.588 . 0 0 "[ ]" 1
1143 1 63 ALA HA 1 64 ARG QD 3.000 . 4.800 7.022 7.022 7.022 2.222 1 1 [+] 1
1144 1 63 ALA HA 1 65 ALA H 3.200 . 5.200 3.878 3.878 3.878 . 0 0 "[ ]" 1
1145 1 63 ALA HA 1 66 LEU H 3.100 . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
1146 1 63 ALA HA 1 66 LEU HB2 2.200 . 3.200 3.209 3.209 3.209 0.009 1 0 "[ ]" 1
1147 1 63 ALA HA 1 66 LEU HB3 2.700 . 4.200 3.383 3.383 3.383 . 0 0 "[ ]" 1
1148 1 63 ALA HA 1 74 THR MG 2.300 . 3.400 3.415 3.415 3.415 0.015 1 0 "[ ]" 1
1149 1 63 ALA MB 1 64 ARG H 2.700 . 4.200 2.068 2.068 2.068 . 0 0 "[ ]" 1
1150 1 63 ALA MB 1 78 TYR H 4.700 . 5.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
1151 1 63 ALA MB 1 78 TYR HB3 4.000 . 5.500 3.171 3.171 3.171 . 0 0 "[ ]" 1
1152 1 63 ALA MB 1 78 TYR QD 2.300 . 3.400 2.331 2.331 2.331 . 0 0 "[ ]" 1
1153 1 63 ALA MB 1 78 TYR QE 2.500 . 3.800 2.717 2.717 2.717 . 0 0 "[ ]" 1
1154 1 64 ARG H 1 64 ARG HA 2.700 . 4.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
1155 1 64 ARG H 1 64 ARG HB2 2.500 . 3.800 2.440 2.440 2.440 . 0 0 "[ ]" 1
1156 1 64 ARG H 1 64 ARG HB3 2.900 . 4.600 3.523 3.523 3.523 . 0 0 "[ ]" 1
1157 1 64 ARG H 1 64 ARG QD 4.300 . 5.500 3.991 3.991 3.991 . 0 0 "[ ]" 1
1158 1 64 ARG H 1 64 ARG QG 3.300 . 5.500 1.918 1.918 1.918 . 0 0 "[ ]" 1
1159 1 64 ARG H 1 65 ALA H 2.700 . 4.200 2.743 2.743 2.743 . 0 0 "[ ]" 1
1160 1 64 ARG H 1 65 ALA MB 3.600 . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
1161 1 64 ARG H 1 66 LEU H 3.400 . 5.500 4.717 4.717 4.717 . 0 0 "[ ]" 1
1162 1 64 ARG H 1 74 THR MG 3.000 . 4.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
1163 1 64 ARG HA 1 64 ARG HB2 2.200 . 3.200 3.042 3.042 3.042 . 0 0 "[ ]" 1
1164 1 64 ARG HA 1 64 ARG HB3 2.500 . 3.800 2.495 2.495 2.495 . 0 0 "[ ]" 1
1165 1 64 ARG HA 1 64 ARG QD 3.400 . 5.500 3.911 3.911 3.911 . 0 0 "[ ]" 1
1166 1 64 ARG HA 1 64 ARG QG 2.700 . 3.400 2.324 2.324 2.324 . 0 0 "[ ]" 1
1167 1 64 ARG HA 1 65 ALA H 3.300 . 5.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
1168 1 64 ARG HA 1 66 LEU H 3.800 . 5.500 5.189 5.189 5.189 . 0 0 "[ ]" 1
1169 1 64 ARG HA 1 67 ILE H 3.500 . 5.500 4.660 4.660 4.660 . 0 0 "[ ]" 1
1170 1 64 ARG HA 1 74 THR MG 2.100 . 3.000 1.860 1.860 1.860 . 0 0 "[ ]" 1
1171 1 64 ARG HB2 1 64 ARG QD 2.800 . 4.400 3.096 3.096 3.096 . 0 0 "[ ]" 1
1172 1 64 ARG HB2 1 64 ARG QD 2.100 . 3.000 1.998 1.998 1.998 . 0 0 "[ ]" 1
1173 1 64 ARG HB2 1 71 VAL HA 3.600 . 5.500 4.308 4.308 4.308 . 0 0 "[ ]" 1
1174 1 64 ARG HB2 1 65 ALA H 2.900 . 4.600 3.015 3.015 3.015 . 0 0 "[ ]" 1
1175 1 64 ARG HB3 1 64 ARG QD 2.600 . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
1176 1 64 ARG HB3 1 65 ALA H 3.000 . 4.800 4.011 4.011 4.011 . 0 0 "[ ]" 1
1177 1 64 ARG QG 1 71 VAL HA 3.400 . 5.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
1178 1 64 ARG QG 1 74 THR MG 3.200 . 5.200 2.158 2.158 2.158 . 0 0 "[ ]" 1
1179 1 65 ALA H 1 65 ALA HA 2.600 . 4.000 2.963 2.963 2.963 . 0 0 "[ ]" 1
1180 1 65 ALA H 1 65 ALA MB 2.400 . 3.600 2.202 2.202 2.202 . 0 0 "[ ]" 1
1181 1 65 ALA H 1 66 LEU H 2.600 . 4.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
1182 1 65 ALA H 1 67 ILE H 3.400 . 5.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
1183 1 65 ALA H 1 74 THR MG 4.500 . 5.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
1184 1 65 ALA HA 1 65 ALA MB 1.800 . 2.400 2.162 2.162 2.162 . 0 0 "[ ]" 1
1185 1 65 ALA HA 1 66 LEU H 3.300 . 5.500 3.597 3.597 3.597 . 0 0 "[ ]" 1
1186 1 65 ALA MB 1 66 LEU H 2.600 . 4.000 2.134 2.134 2.134 . 0 0 "[ ]" 1
1187 1 65 ALA MB 1 67 ILE H 3.900 . 5.500 4.682 4.682 4.682 . 0 0 "[ ]" 1
1188 1 66 LEU H 1 66 LEU HB2 2.400 . 3.600 1.967 1.967 1.967 . 0 0 "[ ]" 1
1189 1 66 LEU H 1 66 LEU HB3 2.700 . 4.200 3.057 3.057 3.057 . 0 0 "[ ]" 1
1190 1 66 LEU H 1 66 LEU MD1 2.700 . 4.200 3.126 3.126 3.126 . 0 0 "[ ]" 1
1191 1 66 LEU HA 1 66 LEU HB2 2.400 . 3.600 2.768 2.768 2.768 . 0 0 "[ ]" 1
1192 1 66 LEU HA 1 66 LEU HB3 2.200 . 3.200 2.951 2.951 2.951 . 0 0 "[ ]" 1
1193 1 66 LEU HA 1 66 LEU MD1 1.900 . 2.600 2.440 2.440 2.440 . 0 0 "[ ]" 1
1194 1 66 LEU HA 1 67 ILE H 3.800 . 5.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
1195 1 66 LEU HB2 1 66 LEU MD1 2.200 . 3.200 2.039 2.039 2.039 . 0 0 "[ ]" 1
1196 1 66 LEU HB2 1 67 ILE MG 3.800 . 5.500 3.930 3.930 3.930 . 0 0 "[ ]" 1
1197 1 66 LEU HB3 1 66 LEU MD1 2.200 . 3.200 3.126 3.126 3.126 . 0 0 "[ ]" 1
1198 1 66 LEU HB3 1 67 ILE H 2.800 . 4.400 2.055 2.055 2.055 . 0 0 "[ ]" 1
1199 1 66 LEU HB3 1 67 ILE MG 3.400 . 5.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
1200 1 66 LEU MD1 1 67 ILE H 2.900 . 4.600 4.498 4.498 4.498 . 0 0 "[ ]" 1
1201 1 66 LEU MD2 1 78 TYR QE 3.200 . 5.200 4.569 4.569 4.569 . 0 0 "[ ]" 1
1202 1 67 ILE H 1 67 ILE HA 2.800 . 4.400 2.988 2.988 2.988 . 0 0 "[ ]" 1
1203 1 67 ILE H 1 67 ILE HG12 2.600 . 4.000 1.872 1.872 1.872 . 0 0 "[ ]" 1
1204 1 67 ILE H 1 67 ILE HG13 2.800 . 4.400 2.971 2.971 2.971 . 0 0 "[ ]" 1
1205 1 67 ILE H 1 67 ILE MG 2.800 . 4.400 2.429 2.429 2.429 . 0 0 "[ ]" 1
1206 1 67 ILE H 1 68 LYS H 2.800 . 4.400 3.352 3.352 3.352 . 0 0 "[ ]" 1
1207 1 67 ILE HA 1 67 ILE HB 2.200 . 3.200 2.484 2.484 2.484 . 0 0 "[ ]" 1
1208 1 67 ILE HA 1 67 ILE MD 3.000 . 4.800 4.147 4.147 4.147 . 0 0 "[ ]" 1
1209 1 67 ILE HA 1 67 ILE HG12 3.200 . 5.200 3.745 3.745 3.745 . 0 0 "[ ]" 1
1210 1 67 ILE HA 1 67 ILE HG13 3.600 . 5.500 3.757 3.757 3.757 . 0 0 "[ ]" 1
1211 1 67 ILE HA 1 67 ILE MG 2.200 . 3.200 2.386 2.386 2.386 . 0 0 "[ ]" 1
1212 1 67 ILE HB 1 67 ILE MD 2.300 . 3.400 2.412 2.412 2.412 . 0 0 "[ ]" 1
1213 1 67 ILE HB 1 67 ILE HG12 2.400 . 3.600 3.035 3.035 3.035 . 0 0 "[ ]" 1
1214 1 67 ILE HB 1 67 ILE HG13 2.300 . 3.400 2.475 2.475 2.475 . 0 0 "[ ]" 1
1215 1 67 ILE HB 1 67 ILE MG 2.200 . 3.200 2.146 2.146 2.146 . 0 0 "[ ]" 1
1216 1 67 ILE MD 1 67 ILE HG12 2.200 . 3.200 2.142 2.142 2.142 . 0 0 "[ ]" 1
1217 1 67 ILE MD 1 67 ILE HG13 2.200 . 3.200 2.143 2.143 2.143 . 0 0 "[ ]" 1
1218 1 67 ILE MD 1 74 THR HA 2.500 . 3.800 3.317 3.317 3.317 . 0 0 "[ ]" 1
1219 1 67 ILE MD 1 77 ILE MD 2.600 . 4.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
1220 1 67 ILE HG12 1 67 ILE MG 2.400 . 3.600 2.401 2.401 2.401 . 0 0 "[ ]" 1
1221 1 67 ILE HG12 1 68 LYS H 2.800 . 4.400 4.623 4.623 4.623 0.223 1 0 "[ ]" 1
1222 1 67 ILE HG12 1 74 THR MG 2.900 . 4.600 2.717 2.717 2.717 . 0 0 "[ ]" 1
1223 1 67 ILE HG13 1 67 ILE MG 2.400 . 3.600 3.197 3.197 3.197 . 0 0 "[ ]" 1
1224 1 67 ILE MG 1 68 LYS H 4.700 . 5.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
1225 1 68 LYS H 1 68 LYS HA 2.500 . 3.800 2.861 2.861 2.861 . 0 0 "[ ]" 1
1226 1 68 LYS H 1 68 LYS QB 3.000 . 4.600 2.435 2.435 2.435 . 0 0 "[ ]" 1
1227 1 68 LYS H 1 68 LYS QD 3.100 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
1228 1 68 LYS H 1 69 ILE H 3.100 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
1229 1 68 LYS HA 1 68 LYS QB 2.200 . 3.200 2.210 2.210 2.210 . 0 0 "[ ]" 1
1230 1 68 LYS HA 1 68 LYS QD 2.400 . 3.600 4.143 4.143 4.143 0.543 1 1 [+] 1
1231 1 68 LYS HA 1 68 LYS QG 2.200 . 3.200 3.302 3.302 3.302 0.102 1 0 "[ ]" 1
1232 1 68 LYS HA 1 69 ILE H 2.600 . 4.000 2.672 2.672 2.672 . 0 0 "[ ]" 1
1233 1 68 LYS QB 1 68 LYS QG 2.300 . 3.200 2.072 2.072 2.072 . 0 0 "[ ]" 1
1234 1 68 LYS QB 1 69 ILE H 3.300 . 5.500 4.057 4.057 4.057 . 0 0 "[ ]" 1
1235 1 68 LYS QB 1 69 ILE MD 2.300 . 3.400 6.403 6.403 6.403 3.003 1 1 [+] 1
1236 1 68 LYS QB 1 70 ASP H 3.000 . 4.800 4.233 4.233 4.233 . 0 0 "[ ]" 1
1237 1 68 LYS QB 1 73 LYS QB 2.200 . 3.200 6.751 6.751 6.751 3.551 1 1 [+] 1
1238 1 68 LYS QD 1 68 LYS HE2 2.600 . 4.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
1239 1 68 LYS QD 1 69 ILE H 3.500 . 5.500 5.219 5.219 5.219 . 0 0 "[ ]" 1
1240 1 68 LYS QD 1 73 LYS HA 2.700 . 4.200 11.011 11.011 11.011 6.811 1 1 [+] 1
1241 1 69 ILE H 1 69 ILE HA 2.900 . 4.600 2.899 2.899 2.899 . 0 0 "[ ]" 1
1242 1 69 ILE H 1 69 ILE HB 3.300 . 5.500 3.551 3.551 3.551 . 0 0 "[ ]" 1
1243 1 69 ILE H 1 69 ILE MD 2.400 . 3.600 3.496 3.496 3.496 . 0 0 "[ ]" 1
1244 1 69 ILE H 1 69 ILE HG12 2.900 . 4.600 1.931 1.931 1.931 . 0 0 "[ ]" 1
1245 1 69 ILE H 1 69 ILE MG 2.800 . 4.400 2.046 2.046 2.046 . 0 0 "[ ]" 1
1246 1 69 ILE H 1 70 ASP H 4.400 . 5.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
1247 1 69 ILE HA 1 69 ILE HB 2.200 . 3.200 2.469 2.469 2.469 . 0 0 "[ ]" 1
1248 1 69 ILE HA 1 69 ILE MD 2.900 . 4.600 4.136 4.136 4.136 . 0 0 "[ ]" 1
1249 1 69 ILE HA 1 69 ILE HG12 3.500 . 5.500 3.749 3.749 3.749 . 0 0 "[ ]" 1
1250 1 69 ILE HA 1 69 ILE MG 2.100 . 3.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
1251 1 69 ILE HA 1 70 ASP H 3.100 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
1252 1 69 ILE HB 1 69 ILE MD 2.200 . 3.200 2.403 2.403 2.403 . 0 0 "[ ]" 1
1253 1 69 ILE HB 1 69 ILE HG13 2.600 . 4.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
1254 1 69 ILE HB 1 69 ILE MG 2.000 . 2.800 2.116 2.116 2.116 . 0 0 "[ ]" 1
1255 1 69 ILE HB 1 70 ASP H 2.600 . 4.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
1256 1 69 ILE MD 1 69 ILE HG12 2.000 . 2.800 2.129 2.129 2.129 . 0 0 "[ ]" 1
1257 1 69 ILE MD 1 69 ILE MG 2.100 . 3.000 1.711 1.711 1.711 . 0 0 "[ ]" 1
1258 1 69 ILE MD 1 70 ASP H 3.600 . 5.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
1259 1 69 ILE MD 1 73 LYS H 4.400 . 5.500 4.739 4.739 4.739 . 0 0 "[ ]" 1
1260 1 69 ILE MD 1 73 LYS QB 2.300 . 3.400 1.905 1.905 1.905 . 0 0 "[ ]" 1
1261 1 69 ILE MD 1 73 LYS HG2 2.600 . 4.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
1262 1 69 ILE MD 1 74 THR H 3.100 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
1263 1 69 ILE HG12 1 69 ILE MG 2.400 . 3.600 2.384 2.384 2.384 . 0 0 "[ ]" 1
1264 1 69 ILE HG12 1 70 ASP H 3.000 . 4.800 2.552 2.552 2.552 . 0 0 "[ ]" 1
1265 1 69 ILE HG13 1 69 ILE MG 2.600 . 4.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
1266 1 69 ILE MG 1 70 ASP H 3.500 . 5.500 3.840 3.840 3.840 . 0 0 "[ ]" 1
1267 1 69 ILE MG 1 73 LYS HG2 3.300 . 5.500 5.545 5.545 5.545 0.045 1 0 "[ ]" 1
1268 1 70 ASP H 1 70 ASP HA 2.700 . 4.200 2.874 2.874 2.874 . 0 0 "[ ]" 1
1269 1 70 ASP H 1 70 ASP HB2 2.600 . 4.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
1270 1 70 ASP H 1 70 ASP HB3 2.700 . 4.200 3.610 3.610 3.610 . 0 0 "[ ]" 1
1271 1 70 ASP H 1 71 VAL H 3.900 . 5.500 4.290 4.290 4.290 . 0 0 "[ ]" 1
1272 1 70 ASP HA 1 70 ASP HB2 2.300 . 3.400 2.857 2.857 2.857 . 0 0 "[ ]" 1
1273 1 70 ASP HA 1 70 ASP HB3 2.300 . 3.400 2.872 2.872 2.872 . 0 0 "[ ]" 1
1274 1 70 ASP HA 1 71 VAL H 2.900 . 4.600 2.944 2.944 2.944 . 0 0 "[ ]" 1
1275 1 70 ASP HA 1 72 ASN H 3.200 . 5.200 5.508 5.508 5.508 0.308 1 0 "[ ]" 1
1276 1 70 ASP HB2 1 71 VAL H 3.200 . 5.200 3.491 3.491 3.491 . 0 0 "[ ]" 1
1277 1 70 ASP HB2 1 73 LYS H 3.900 . 5.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
1278 1 70 ASP HB2 1 73 LYS HG2 3.300 . 5.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
1279 1 70 ASP HB3 1 71 VAL H 4.200 . 5.500 1.909 1.909 1.909 . 0 0 "[ ]" 1
1280 1 70 ASP HB3 1 72 ASN H 3.400 . 5.500 3.507 3.507 3.507 . 0 0 "[ ]" 1
1281 1 70 ASP HB3 1 73 LYS H 3.000 . 4.800 2.600 2.600 2.600 . 0 0 "[ ]" 1
1282 1 70 ASP HB3 1 73 LYS QB 3.400 . 5.500 1.926 1.926 1.926 . 0 0 "[ ]" 1
1283 1 70 ASP HB3 1 73 LYS HG2 2.800 . 4.400 3.032 3.032 3.032 . 0 0 "[ ]" 1
1284 1 70 ASP HB3 1 73 LYS HG3 3.400 . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
1285 1 71 VAL H 1 71 VAL HA 2.900 . 4.600 2.977 2.977 2.977 . 0 0 "[ ]" 1
1286 1 71 VAL H 1 71 VAL HB 2.800 . 4.400 2.718 2.718 2.718 . 0 0 "[ ]" 1
1287 1 71 VAL H 1 71 VAL MG1 2.600 . 4.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
1288 1 71 VAL H 1 71 VAL MG2 2.600 . 4.000 1.916 1.916 1.916 . 0 0 "[ ]" 1
1289 1 71 VAL H 1 72 ASN H 3.200 . 5.200 2.617 2.617 2.617 . 0 0 "[ ]" 1
1290 1 71 VAL H 1 73 LYS H 4.500 . 5.500 3.105 3.105 3.105 . 0 0 "[ ]" 1
1291 1 71 VAL HA 1 71 VAL HB 2.100 . 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 1
1292 1 71 VAL HA 1 71 VAL MG1 2.300 . 3.400 2.077 2.077 2.077 . 0 0 "[ ]" 1
1293 1 71 VAL HA 1 71 VAL MG2 2.400 . 3.600 2.608 2.608 2.608 . 0 0 "[ ]" 1
1294 1 71 VAL HA 1 72 ASN H 3.200 . 5.200 3.587 3.587 3.587 . 0 0 "[ ]" 1
1295 1 71 VAL HA 1 73 LYS H 3.200 . 5.200 4.413 4.413 4.413 . 0 0 "[ ]" 1
1296 1 71 VAL HA 1 74 THR H 2.700 . 4.200 4.448 4.448 4.448 0.248 1 0 "[ ]" 1
1297 1 71 VAL HA 1 74 THR HB 2.300 . 3.400 4.389 4.389 4.389 0.989 1 1 [+] 1
1298 1 71 VAL HB 1 71 VAL MG1 2.000 . 2.800 2.120 2.120 2.120 . 0 0 "[ ]" 1
1299 1 71 VAL HB 1 71 VAL MG2 2.000 . 2.800 2.149 2.149 2.149 . 0 0 "[ ]" 1
1300 1 71 VAL HB 1 72 ASN H 3.000 . 4.800 1.957 1.957 1.957 . 0 0 "[ ]" 1
1301 1 71 VAL MG1 1 71 VAL MG2 2.200 . 3.200 2.026 2.026 2.026 . 0 0 "[ ]" 1
1302 1 71 VAL MG1 1 72 ASN H 2.700 . 4.200 3.372 3.372 3.372 . 0 0 "[ ]" 1
1303 1 71 VAL MG1 1 72 ASN HA 3.000 . 4.800 4.027 4.027 4.027 . 0 0 "[ ]" 1
1304 1 71 VAL MG1 1 73 LYS H 3.300 . 5.500 4.971 4.971 4.971 . 0 0 "[ ]" 1
1305 1 71 VAL MG2 1 72 ASN H 2.800 . 4.400 3.277 3.277 3.277 . 0 0 "[ ]" 1
1306 1 71 VAL MG2 1 73 LYS H 3.400 . 5.500 4.489 4.489 4.489 . 0 0 "[ ]" 1
1307 1 71 VAL MG2 1 73 LYS HE2 2.500 . 3.800 3.854 3.854 3.854 0.054 1 0 "[ ]" 1
1308 1 71 VAL MG2 1 73 LYS HE3 2.800 . 4.400 4.438 4.438 4.438 0.038 1 0 "[ ]" 1
1309 1 71 VAL MG2 1 74 THR H 4.400 . 5.500 5.594 5.594 5.594 0.094 1 0 "[ ]" 1
1310 1 72 ASN H 1 72 ASN HA 2.600 . 4.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
1311 1 72 ASN H 1 72 ASN HB2 2.600 . 4.000 2.073 2.073 2.073 . 0 0 "[ ]" 1
1312 1 72 ASN H 1 72 ASN HB3 2.800 . 4.400 3.432 3.432 3.432 . 0 0 "[ ]" 1
1313 1 72 ASN H 1 73 LYS H 2.500 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
1314 1 72 ASN H 1 73 LYS HA 4.500 . 5.500 4.958 4.958 4.958 . 0 0 "[ ]" 1
1315 1 72 ASN H 1 74 THR H 3.200 . 5.200 4.536 4.536 4.536 . 0 0 "[ ]" 1
1316 1 72 ASN HA 1 72 ASN HB2 2.400 . 3.600 3.000 3.000 3.000 . 0 0 "[ ]" 1
1317 1 72 ASN HA 1 72 ASN HB3 2.200 . 3.200 2.681 2.681 2.681 . 0 0 "[ ]" 1
1318 1 72 ASN HA 1 73 LYS H 3.200 . 5.200 3.461 3.461 3.461 . 0 0 "[ ]" 1
1319 1 72 ASN HA 1 74 THR H 4.400 . 5.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
1320 1 72 ASN HA 1 75 ARG H 2.900 . 4.600 3.228 3.228 3.228 . 0 0 "[ ]" 1
1321 1 72 ASN HA 1 75 ARG HB2 2.600 . 4.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
1322 1 72 ASN HA 1 75 ARG HB3 2.600 . 4.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
1323 1 72 ASN HA 1 76 LYS H 4.500 . 5.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
1324 1 72 ASN HB2 1 73 LYS H 2.900 . 4.600 3.088 3.088 3.088 . 0 0 "[ ]" 1
1325 1 72 ASN HB3 1 73 LYS H 3.100 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
1326 1 73 LYS H 1 73 LYS HA 2.700 . 4.200 2.835 2.835 2.835 . 0 0 "[ ]" 1
1327 1 73 LYS H 1 73 LYS QB 2.600 . 4.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
1328 1 73 LYS H 1 73 LYS HG2 2.600 . 4.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
1329 1 73 LYS H 1 73 LYS HG3 2.900 . 4.600 3.942 3.942 3.942 . 0 0 "[ ]" 1
1330 1 73 LYS H 1 74 THR H 2.600 . 4.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
1331 1 73 LYS H 1 74 THR HA 4.300 . 5.500 5.466 5.466 5.466 . 0 0 "[ ]" 1
1332 1 73 LYS HA 1 73 LYS QB 2.300 . 3.400 2.519 2.519 2.519 . 0 0 "[ ]" 1
1333 1 73 LYS HA 1 73 LYS HG2 2.400 . 3.600 3.591 3.591 3.591 . 0 0 "[ ]" 1
1334 1 73 LYS HA 1 73 LYS HG3 2.400 . 3.600 2.463 2.463 2.463 . 0 0 "[ ]" 1
1335 1 73 LYS HA 1 76 LYS H 2.900 . 4.600 3.791 3.791 3.791 . 0 0 "[ ]" 1
1336 1 73 LYS HA 1 76 LYS HG2 3.500 . 5.500 5.475 5.475 5.475 . 0 0 "[ ]" 1
1337 1 73 LYS HA 1 77 ILE H 3.500 . 5.500 4.451 4.451 4.451 . 0 0 "[ ]" 1
1338 1 73 LYS QB 1 73 LYS HE2 2.500 . 3.800 2.642 2.642 2.642 . 0 0 "[ ]" 1
1339 1 73 LYS QB 1 73 LYS HG2 2.500 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 1
1340 1 73 LYS QB 1 73 LYS HG3 2.600 . 4.000 2.335 2.335 2.335 . 0 0 "[ ]" 1
1341 1 73 LYS QB 1 74 THR H 2.800 . 4.400 2.441 2.441 2.441 . 0 0 "[ ]" 1
1342 1 73 LYS HD2 1 73 LYS HE2 2.500 . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
1343 1 73 LYS HD2 1 73 LYS HE3 2.600 . 4.000 2.689 2.689 2.689 . 0 0 "[ ]" 1
1344 1 73 LYS HE2 1 73 LYS HG2 3.300 . 5.500 3.275 3.275 3.275 . 0 0 "[ ]" 1
1345 1 73 LYS HE2 1 73 LYS HG3 2.700 . 4.200 4.014 4.014 4.014 . 0 0 "[ ]" 1
1346 1 73 LYS HE3 1 73 LYS HG3 2.900 . 4.600 3.512 3.512 3.512 . 0 0 "[ ]" 1
1347 1 73 LYS HG2 1 74 THR H 3.000 . 4.800 4.891 4.891 4.891 0.091 1 0 "[ ]" 1
1348 1 74 THR H 1 74 THR HA 2.900 . 4.600 2.906 2.906 2.906 . 0 0 "[ ]" 1
1349 1 74 THR H 1 74 THR HB 2.900 . 4.600 2.319 2.319 2.319 . 0 0 "[ ]" 1
1350 1 74 THR H 1 74 THR MG 3.000 . 4.800 3.700 3.700 3.700 . 0 0 "[ ]" 1
1351 1 74 THR H 1 75 ARG H 3.100 . 5.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
1352 1 74 THR HA 1 74 THR HB 2.600 . 4.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
1353 1 74 THR HA 1 74 THR MG 2.100 . 3.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
1354 1 74 THR HA 1 75 ARG H 3.300 . 5.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
1355 1 74 THR HA 1 76 LYS H 4.600 . 5.500 4.183 4.183 4.183 . 0 0 "[ ]" 1
1356 1 74 THR HA 1 77 ILE H 3.100 . 5.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
1357 1 74 THR HA 1 77 ILE HB 2.300 . 3.400 2.648 2.648 2.648 . 0 0 "[ ]" 1
1358 1 74 THR HA 1 77 ILE MD 2.300 . 3.400 2.661 2.661 2.661 . 0 0 "[ ]" 1
1359 1 74 THR HA 1 77 ILE HG12 4.400 . 5.500 4.819 4.819 4.819 . 0 0 "[ ]" 1
1360 1 74 THR HA 1 77 ILE HG13 3.900 . 5.500 3.470 3.470 3.470 . 0 0 "[ ]" 1
1361 1 74 THR HA 1 77 ILE MG 2.900 . 4.600 3.974 3.974 3.974 . 0 0 "[ ]" 1
1362 1 74 THR HA 1 78 TYR H 4.300 . 5.500 3.708 3.708 3.708 . 0 0 "[ ]" 1
1363 1 74 THR HB 1 74 THR MG 1.900 . 2.600 2.130 2.130 2.130 . 0 0 "[ ]" 1
1364 1 74 THR HB 1 75 ARG H 2.700 . 4.200 2.760 2.760 2.760 . 0 0 "[ ]" 1
1365 1 74 THR MG 1 75 ARG H 3.100 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
1366 1 74 THR MG 1 78 TYR H 3.300 . 5.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
1367 1 74 THR MG 1 78 TYR HB3 3.500 . 5.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
1368 1 75 ARG H 1 75 ARG HA 2.400 . 3.600 2.871 2.871 2.871 . 0 0 "[ ]" 1
1369 1 75 ARG H 1 75 ARG HB2 2.400 . 3.600 1.947 1.947 1.947 . 0 0 "[ ]" 1
1370 1 75 ARG H 1 75 ARG HB3 2.500 . 3.800 3.275 3.275 3.275 . 0 0 "[ ]" 1
1371 1 75 ARG H 1 76 LYS H 2.600 . 4.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
1372 1 75 ARG HA 1 75 ARG HB3 2.400 . 3.600 2.820 2.820 2.820 . 0 0 "[ ]" 1
1373 1 75 ARG HA 1 76 LYS H 3.100 . 5.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
1374 1 75 ARG HA 1 77 ILE H 3.700 . 5.500 4.731 4.731 4.731 . 0 0 "[ ]" 1
1375 1 75 ARG HA 1 78 TYR H 3.300 . 5.500 3.744 3.744 3.744 . 0 0 "[ ]" 1
1376 1 75 ARG HA 1 78 TYR HB2 2.500 . 3.800 3.439 3.439 3.439 . 0 0 "[ ]" 1
1377 1 75 ARG HA 1 78 TYR HB3 2.700 . 4.200 3.193 3.193 3.193 . 0 0 "[ ]" 1
1378 1 75 ARG HA 1 79 ASP H 3.400 . 5.500 3.435 3.435 3.435 . 0 0 "[ ]" 1
1379 1 75 ARG HB3 1 76 LYS H 2.800 . 4.400 3.151 3.151 3.151 . 0 0 "[ ]" 1
1380 1 76 LYS H 1 76 LYS HA 2.600 . 4.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
1381 1 76 LYS H 1 76 LYS HB2 2.200 . 3.200 2.216 2.216 2.216 . 0 0 "[ ]" 1
1382 1 76 LYS H 1 76 LYS HE2 3.300 . 5.500 5.502 5.502 5.502 0.002 1 0 "[ ]" 1
1383 1 76 LYS H 1 76 LYS HG2 2.300 . 3.400 3.533 3.533 3.533 0.133 1 0 "[ ]" 1
1384 1 76 LYS H 1 76 LYS HG3 2.500 . 3.800 2.417 2.417 2.417 . 0 0 "[ ]" 1
1385 1 76 LYS H 1 77 ILE H 2.700 . 4.200 2.545 2.545 2.545 . 0 0 "[ ]" 1
1386 1 76 LYS H 1 77 ILE HA 4.300 . 5.500 5.230 5.230 5.230 . 0 0 "[ ]" 1
1387 1 76 LYS H 1 77 ILE HG12 3.300 . 5.500 5.533 5.533 5.533 0.033 1 0 "[ ]" 1
1388 1 76 LYS H 1 78 TYR H 4.300 . 5.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
1389 1 76 LYS HA 1 76 LYS HB2 2.100 . 3.000 3.029 3.029 3.029 0.029 1 0 "[ ]" 1
1390 1 76 LYS HA 1 76 LYS HB3 2.200 . 3.200 2.568 2.568 2.568 . 0 0 "[ ]" 1
1391 1 76 LYS HA 1 76 LYS HG2 2.100 . 3.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
1392 1 76 LYS HA 1 76 LYS HG3 2.100 . 3.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
1393 1 76 LYS HA 1 77 ILE H 3.200 . 5.200 3.577 3.577 3.577 . 0 0 "[ ]" 1
1394 1 76 LYS HA 1 78 TYR H 4.700 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
1395 1 76 LYS HA 1 79 ASP HB2 2.400 . 3.600 3.602 3.602 3.602 0.002 1 0 "[ ]" 1
1396 1 76 LYS HA 1 79 ASP HB3 3.300 . 5.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
1397 1 76 LYS HB2 1 76 LYS HG2 2.400 . 3.600 3.030 3.030 3.030 . 0 0 "[ ]" 1
1398 1 76 LYS HB2 1 76 LYS HG3 2.400 . 3.600 2.419 2.419 2.419 . 0 0 "[ ]" 1
1399 1 76 LYS HB3 1 77 ILE H 3.000 . 4.800 3.378 3.378 3.378 . 0 0 "[ ]" 1
1400 1 76 LYS HE2 1 76 LYS HG2 2.600 . 4.000 2.459 2.459 2.459 . 0 0 "[ ]" 1
1401 1 76 LYS HE2 1 76 LYS HG3 2.500 . 3.800 3.133 3.133 3.133 . 0 0 "[ ]" 1
1402 1 76 LYS HG3 1 77 ILE H 3.300 . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
1403 1 77 ILE H 1 77 ILE HA 2.700 . 4.200 2.861 2.861 2.861 . 0 0 "[ ]" 1
1404 1 77 ILE H 1 77 ILE HB 2.300 . 3.400 2.417 2.417 2.417 . 0 0 "[ ]" 1
1405 1 77 ILE H 1 77 ILE HG12 2.600 . 4.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
1406 1 77 ILE H 1 78 TYR H 2.800 . 4.400 2.740 2.740 2.740 . 0 0 "[ ]" 1
1407 1 77 ILE H 1 78 TYR HB2 3.600 . 5.500 4.630 4.630 4.630 . 0 0 "[ ]" 1
1408 1 77 ILE HA 1 77 ILE HB 2.800 . 4.400 3.044 3.044 3.044 . 0 0 "[ ]" 1
1409 1 77 ILE HA 1 77 ILE MD 2.600 . 4.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
1410 1 77 ILE HA 1 77 ILE HG13 2.700 . 4.200 3.075 3.075 3.075 . 0 0 "[ ]" 1
1411 1 77 ILE HA 1 77 ILE MG 2.200 . 3.200 2.379 2.379 2.379 . 0 0 "[ ]" 1
1412 1 77 ILE HA 1 80 PHE H 2.800 . 4.400 3.802 3.802 3.802 . 0 0 "[ ]" 1
1413 1 77 ILE HA 1 80 PHE HB2 2.600 . 4.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
1414 1 77 ILE HA 1 80 PHE HB3 3.200 . 5.200 3.276 3.276 3.276 . 0 0 "[ ]" 1
1415 1 77 ILE HB 1 77 ILE MD 2.100 . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
1416 1 77 ILE HB 1 77 ILE MG 2.000 . 2.800 2.112 2.112 2.112 . 0 0 "[ ]" 1
1417 1 77 ILE HB 1 78 TYR H 2.700 . 4.200 2.384 2.384 2.384 . 0 0 "[ ]" 1
1418 1 77 ILE MD 1 77 ILE HG13 2.200 . 3.200 2.142 2.142 2.142 . 0 0 "[ ]" 1
1419 1 77 ILE MG 1 78 TYR H 3.000 . 4.800 3.389 3.389 3.389 . 0 0 "[ ]" 1
1420 1 77 ILE MG 1 81 LEU HG 2.600 . 4.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
1421 1 78 TYR H 1 78 TYR HA 2.700 . 4.200 2.887 2.887 2.887 . 0 0 "[ ]" 1
1422 1 78 TYR H 1 78 TYR HB2 2.600 . 4.000 2.072 2.072 2.072 . 0 0 "[ ]" 1
1423 1 78 TYR H 1 78 TYR HB3 2.900 . 4.600 2.920 2.920 2.920 . 0 0 "[ ]" 1
1424 1 78 TYR HA 1 78 TYR HB2 2.400 . 3.600 2.726 2.726 2.726 . 0 0 "[ ]" 1
1425 1 78 TYR HA 1 78 TYR HB3 2.300 . 3.400 2.972 2.972 2.972 . 0 0 "[ ]" 1
1426 1 78 TYR HA 1 78 TYR QD 2.300 . 3.400 2.393 2.393 2.393 . 0 0 "[ ]" 1
1427 1 78 TYR HA 1 79 ASP H 3.200 . 5.200 3.593 3.593 3.593 . 0 0 "[ ]" 1
1428 1 78 TYR HA 1 81 LEU HB2 3.300 . 5.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
1429 1 78 TYR HA 1 81 LEU MD1 2.500 . 3.800 1.922 1.922 1.922 . 0 0 "[ ]" 1
1430 1 78 TYR HA 1 87 ILE MD 2.500 . 3.800 2.890 2.890 2.890 . 0 0 "[ ]" 1
1431 1 78 TYR HB2 1 78 TYR QD 3.000 . 4.800 2.611 2.611 2.611 . 0 0 "[ ]" 1
1432 1 78 TYR HB2 1 79 ASP H 2.700 . 4.200 3.301 3.301 3.301 . 0 0 "[ ]" 1
1433 1 78 TYR HB3 1 78 TYR QD 2.400 . 3.600 2.308 2.308 2.308 . 0 0 "[ ]" 1
1434 1 78 TYR QD 1 87 ILE MD 3.400 . 5.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
1435 1 78 TYR QE 1 87 ILE MD 2.300 . 4.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
1436 1 79 ASP H 1 79 ASP HA 2.600 . 4.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
1437 1 79 ASP H 1 79 ASP HB2 2.700 . 4.200 2.400 2.400 2.400 . 0 0 "[ ]" 1
1438 1 79 ASP H 1 79 ASP HB3 2.700 . 4.200 2.496 2.496 2.496 . 0 0 "[ ]" 1
1439 1 79 ASP H 1 80 PHE H 2.900 . 4.600 2.770 2.770 2.770 . 0 0 "[ ]" 1
1440 1 79 ASP H 1 80 PHE HB2 4.000 . 5.500 4.858 4.858 4.858 . 0 0 "[ ]" 1
1441 1 79 ASP HA 1 79 ASP HB2 2.300 . 3.400 2.477 2.477 2.477 . 0 0 "[ ]" 1
1442 1 79 ASP HA 1 79 ASP HB3 2.200 . 3.200 3.044 3.044 3.044 . 0 0 "[ ]" 1
1443 1 79 ASP HA 1 82 ILE HB 2.300 . 3.400 2.365 2.365 2.365 . 0 0 "[ ]" 1
1444 1 79 ASP HA 1 82 ILE MD 2.900 . 4.600 4.628 4.628 4.628 0.028 1 0 "[ ]" 1
1445 1 79 ASP HA 1 82 ILE HG13 3.700 . 5.500 3.223 3.223 3.223 . 0 0 "[ ]" 1
1446 1 79 ASP HA 1 82 ILE MG 2.700 . 4.200 3.442 3.442 3.442 . 0 0 "[ ]" 1
1447 1 79 ASP HB2 1 80 PHE H 2.700 . 4.200 4.030 4.030 4.030 . 0 0 "[ ]" 1
1448 1 79 ASP HB3 1 80 PHE H 2.900 . 4.600 2.880 2.880 2.880 . 0 0 "[ ]" 1
1449 1 80 PHE H 1 80 PHE HA 2.500 . 3.800 2.913 2.913 2.913 . 0 0 "[ ]" 1
1450 1 80 PHE H 1 80 PHE HB2 3.000 . 4.800 2.353 2.353 2.353 . 0 0 "[ ]" 1
1451 1 80 PHE H 1 80 PHE HB3 2.500 . 3.800 2.557 2.557 2.557 . 0 0 "[ ]" 1
1452 1 80 PHE H 1 81 LEU H 2.800 . 4.400 2.704 2.704 2.704 . 0 0 "[ ]" 1
1453 1 80 PHE H 1 82 ILE H 4.100 . 5.500 3.740 3.740 3.740 . 0 0 "[ ]" 1
1454 1 80 PHE H 1 83 ARG H 4.100 . 5.500 4.767 4.767 4.767 . 0 0 "[ ]" 1
1455 1 80 PHE HA 1 80 PHE HB2 2.400 . 3.600 2.568 2.568 2.568 . 0 0 "[ ]" 1
1456 1 80 PHE HA 1 80 PHE HB3 2.200 . 3.200 3.036 3.036 3.036 . 0 0 "[ ]" 1
1457 1 80 PHE HA 1 80 PHE QD 2.500 . 4.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
1458 1 80 PHE HA 1 80 PHE QE 4.600 . 5.500 4.432 4.432 4.432 . 0 0 "[ ]" 1
1459 1 80 PHE HA 1 81 LEU H 2.800 . 4.400 3.598 3.598 3.598 . 0 0 "[ ]" 1
1460 1 80 PHE HA 1 82 ILE H 2.900 . 4.600 4.366 4.366 4.366 . 0 0 "[ ]" 1
1461 1 80 PHE HA 1 83 ARG H 2.900 . 4.600 4.018 4.018 4.018 . 0 0 "[ ]" 1
1462 1 80 PHE HA 1 83 ARG HB2 3.600 . 5.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
1463 1 80 PHE HA 1 83 ARG HB3 3.100 . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
1464 1 80 PHE HA 1 83 ARG HD3 3.100 . 5.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
1465 1 80 PHE HA 1 84 GLU H 3.400 . 5.500 3.756 3.756 3.756 . 0 0 "[ ]" 1
1466 1 80 PHE HB2 1 80 PHE QD 2.400 . 3.600 2.495 2.495 2.495 . 0 0 "[ ]" 1
1467 1 80 PHE HB2 1 81 LEU H 3.000 . 4.800 3.517 3.517 3.517 . 0 0 "[ ]" 1
1468 1 80 PHE HB2 1 81 LEU HG 3.400 . 5.500 4.480 4.480 4.480 . 0 0 "[ ]" 1
1469 1 80 PHE HB3 1 80 PHE QD 2.300 . 4.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
1470 1 80 PHE HB3 1 81 LEU HG 3.600 . 5.500 2.720 2.720 2.720 . 0 0 "[ ]" 1
1471 1 80 PHE QD 1 81 LEU HA 3.100 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
1472 1 80 PHE QD 1 81 LEU MD1 3.400 . 5.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
1473 1 80 PHE QD 1 81 LEU HG 3.900 . 5.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
1474 1 80 PHE QE 1 84 GLU HG2 4.000 . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
1475 1 80 PHE QE 1 84 GLU HG3 3.300 . 5.500 3.140 3.140 3.140 . 0 0 "[ ]" 1
1476 1 80 PHE HZ 1 84 GLU HG2 3.800 . 5.500 4.994 4.994 4.994 . 0 0 "[ ]" 1
1477 1 80 PHE HZ 1 84 GLU HG3 3.400 . 5.500 3.850 3.850 3.850 . 0 0 "[ ]" 1
1478 1 81 LEU H 1 81 LEU HB2 2.500 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
1479 1 81 LEU H 1 81 LEU HB3 2.900 . 4.600 3.534 3.534 3.534 . 0 0 "[ ]" 1
1480 1 81 LEU H 1 81 LEU MD2 2.700 . 4.200 3.611 3.611 3.611 . 0 0 "[ ]" 1
1481 1 81 LEU H 1 81 LEU HG 3.000 . 4.800 1.947 1.947 1.947 . 0 0 "[ ]" 1
1482 1 81 LEU H 1 82 ILE H 2.800 . 4.400 2.693 2.693 2.693 . 0 0 "[ ]" 1
1483 1 81 LEU HA 1 81 LEU HB2 2.500 . 3.800 3.043 3.043 3.043 . 0 0 "[ ]" 1
1484 1 81 LEU HA 1 81 LEU HB3 2.600 . 4.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
1485 1 81 LEU HA 1 81 LEU MD1 2.800 . 4.400 3.874 3.874 3.874 . 0 0 "[ ]" 1
1486 1 81 LEU HA 1 81 LEU MD2 2.100 . 3.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
1487 1 81 LEU HA 1 81 LEU HG 3.100 . 5.000 2.647 2.647 2.647 . 0 0 "[ ]" 1
1488 1 81 LEU HA 1 82 ILE H 3.900 . 5.500 3.541 3.541 3.541 . 0 0 "[ ]" 1
1489 1 81 LEU HA 1 84 GLU HB2 2.800 . 4.400 2.523 2.523 2.523 . 0 0 "[ ]" 1
1490 1 81 LEU HA 1 86 TYR HB2 3.700 . 5.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
1491 1 81 LEU HA 1 86 TYR HB3 3.200 . 5.200 3.814 3.814 3.814 . 0 0 "[ ]" 1
1492 1 81 LEU HB2 1 81 LEU MD1 2.200 . 3.200 2.030 2.030 2.030 . 0 0 "[ ]" 1
1493 1 81 LEU HB2 1 81 LEU MD2 2.400 . 3.600 3.066 3.066 3.066 . 0 0 "[ ]" 1
1494 1 81 LEU HB2 1 81 LEU HG 2.600 . 4.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
1495 1 81 LEU HB2 1 86 TYR HB3 3.400 . 5.500 4.746 4.746 4.746 . 0 0 "[ ]" 1
1496 1 81 LEU HB2 1 86 TYR QD 4.000 . 5.500 5.210 5.210 5.210 . 0 0 "[ ]" 1
1497 1 81 LEU HB2 1 87 ILE H 4.200 . 5.500 4.132 4.132 4.132 . 0 0 "[ ]" 1
1498 1 81 LEU HB2 1 87 ILE MD 2.300 . 3.400 1.889 1.889 1.889 . 0 0 "[ ]" 1
1499 1 81 LEU HB2 1 87 ILE HG13 3.100 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
1500 1 81 LEU HB2 1 87 ILE MG 2.100 . 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 1
1501 1 81 LEU HB3 1 81 LEU MD1 2.300 . 3.400 2.806 2.806 2.806 . 0 0 "[ ]" 1
1502 1 81 LEU HB3 1 81 LEU MD2 2.200 . 3.200 2.015 2.015 2.015 . 0 0 "[ ]" 1
1503 1 81 LEU HB3 1 82 ILE H 3.100 . 5.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
1504 1 81 LEU HB3 1 86 TYR H 3.600 . 5.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
1505 1 81 LEU HB3 1 86 TYR HB2 3.700 . 5.500 2.268 2.268 2.268 . 0 0 "[ ]" 1
1506 1 81 LEU HB3 1 86 TYR HB3 3.200 . 5.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
1507 1 81 LEU HB3 1 86 TYR QD 3.800 . 5.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
1508 1 81 LEU HB3 1 87 ILE H 3.400 . 5.500 3.109 3.109 3.109 . 0 0 "[ ]" 1
1509 1 81 LEU HB3 1 87 ILE MD 2.200 . 3.200 2.725 2.725 2.725 . 0 0 "[ ]" 1
1510 1 81 LEU MD1 1 81 LEU MD2 1.900 . 2.600 1.959 1.959 1.959 . 0 0 "[ ]" 1
1511 1 81 LEU MD1 1 81 LEU HG 2.100 . 3.000 2.139 2.139 2.139 . 0 0 "[ ]" 1
1512 1 81 LEU MD1 1 86 TYR QD 3.800 . 5.500 5.230 5.230 5.230 . 0 0 "[ ]" 1
1513 1 81 LEU MD1 1 87 ILE MD 2.400 . 3.600 2.636 2.636 2.636 . 0 0 "[ ]" 1
1514 1 81 LEU MD2 1 81 LEU HG 2.200 . 3.200 2.117 2.117 2.117 . 0 0 "[ ]" 1
1515 1 81 LEU MD2 1 86 TYR HB2 2.400 . 3.600 2.266 2.266 2.266 . 0 0 "[ ]" 1
1516 1 81 LEU MD2 1 86 TYR HB3 2.300 . 3.400 2.286 2.286 2.286 . 0 0 "[ ]" 1
1517 1 81 LEU MD2 1 86 TYR QD 2.400 . 3.600 3.209 3.209 3.209 . 0 0 "[ ]" 1
1518 1 81 LEU MD2 1 86 TYR QE 3.000 . 4.800 4.317 4.317 4.317 . 0 0 "[ ]" 1
1519 1 82 ILE H 1 82 ILE HA 2.700 . 4.200 2.869 2.869 2.869 . 0 0 "[ ]" 1
1520 1 82 ILE H 1 82 ILE HB 2.900 . 4.600 2.282 2.282 2.282 . 0 0 "[ ]" 1
1521 1 82 ILE H 1 82 ILE MD 3.700 . 5.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
1522 1 82 ILE H 1 82 ILE HG12 2.700 . 4.200 2.115 2.115 2.115 . 0 0 "[ ]" 1
1523 1 82 ILE H 1 82 ILE HG13 2.500 . 3.800 3.363 3.363 3.363 . 0 0 "[ ]" 1
1524 1 82 ILE H 1 82 ILE MG 2.800 . 4.400 3.688 3.688 3.688 . 0 0 "[ ]" 1
1525 1 82 ILE H 1 83 ARG H 2.700 . 4.200 2.883 2.883 2.883 . 0 0 "[ ]" 1
1526 1 82 ILE HA 1 82 ILE HB 2.400 . 3.600 3.019 3.019 3.019 . 0 0 "[ ]" 1
1527 1 82 ILE HA 1 82 ILE MD 2.200 . 3.200 1.885 1.885 1.885 . 0 0 "[ ]" 1
1528 1 82 ILE HA 1 82 ILE HG12 2.200 . 3.200 2.797 2.797 2.797 . 0 0 "[ ]" 1
1529 1 82 ILE HA 1 82 ILE HG13 2.500 . 3.800 3.662 3.662 3.662 . 0 0 "[ ]" 1
1530 1 82 ILE HA 1 82 ILE MG 2.200 . 3.200 2.498 2.498 2.498 . 0 0 "[ ]" 1
1531 1 82 ILE HA 1 83 ARG HD3 3.200 . 5.200 5.201 5.201 5.201 0.001 1 0 "[ ]" 1
1532 1 82 ILE HA 1 87 ILE H 3.500 . 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
1533 1 82 ILE HA 1 87 ILE MD 2.700 . 4.200 3.371 3.371 3.371 . 0 0 "[ ]" 1
1534 1 82 ILE HA 1 87 ILE HG12 3.200 . 5.200 3.055 3.055 3.055 . 0 0 "[ ]" 1
1535 1 82 ILE HA 1 87 ILE HG13 3.100 . 5.000 2.141 2.141 2.141 . 0 0 "[ ]" 1
1536 1 82 ILE HB 1 82 ILE MD 2.400 . 3.600 3.213 3.213 3.213 . 0 0 "[ ]" 1
1537 1 82 ILE HB 1 82 ILE HG12 2.300 . 3.400 2.527 2.527 2.527 . 0 0 "[ ]" 1
1538 1 82 ILE HB 1 82 ILE HG13 2.300 . 3.400 2.390 2.390 2.390 . 0 0 "[ ]" 1
1539 1 82 ILE HB 1 82 ILE MG 2.100 . 3.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
1540 1 82 ILE MD 1 82 ILE HG12 2.100 . 3.000 2.143 2.143 2.143 . 0 0 "[ ]" 1
1541 1 82 ILE MD 1 82 ILE HG13 2.000 . 2.800 2.132 2.132 2.132 . 0 0 "[ ]" 1
1542 1 82 ILE MD 1 82 ILE MG 2.200 . 3.200 1.887 1.887 1.887 . 0 0 "[ ]" 1
1543 1 82 ILE MD 1 87 ILE HG12 3.100 . 5.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
1544 1 82 ILE MD 1 88 THR HA 2.200 . 3.200 3.219 3.219 3.219 0.019 1 0 "[ ]" 1
1545 1 82 ILE MD 1 89 LYS H 3.400 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
1546 1 82 ILE MD 1 89 LYS HA 3.500 . 5.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
1547 1 82 ILE MD 1 89 LYS HB2 2.300 . 3.400 2.593 2.593 2.593 . 0 0 "[ ]" 1
1548 1 82 ILE MD 1 89 LYS HE2 3.900 . 5.500 5.396 5.396 5.396 . 0 0 "[ ]" 1
1549 1 82 ILE MD 1 89 LYS HG2 2.500 . 3.800 3.563 3.563 3.563 . 0 0 "[ ]" 1
1550 1 82 ILE HG12 1 83 ARG H 3.300 . 5.500 4.217 4.217 4.217 . 0 0 "[ ]" 1
1551 1 82 ILE HG13 1 82 ILE MG 2.300 . 3.400 2.496 2.496 2.496 . 0 0 "[ ]" 1
1552 1 82 ILE HG13 1 83 ARG H 3.300 . 5.500 4.487 4.487 4.487 . 0 0 "[ ]" 1
1553 1 82 ILE HG13 1 89 LYS HB2 4.200 . 5.500 4.511 4.511 4.511 . 0 0 "[ ]" 1
1554 1 82 ILE MG 1 83 ARG H 2.900 . 4.600 2.776 2.776 2.776 . 0 0 "[ ]" 1
1555 1 82 ILE MG 1 83 ARG HA 2.400 . 3.600 3.136 3.136 3.136 . 0 0 "[ ]" 1
1556 1 82 ILE MG 1 84 GLU H 3.900 . 5.500 4.712 4.712 4.712 . 0 0 "[ ]" 1
1557 1 82 ILE MG 1 88 THR HA 3.400 . 5.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
1558 1 82 ILE MG 1 89 LYS H 4.300 . 5.500 3.625 3.625 3.625 . 0 0 "[ ]" 1
1559 1 82 ILE MG 1 89 LYS HA 2.700 . 4.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
1560 1 82 ILE MG 1 89 LYS HB2 2.900 . 4.600 2.027 2.027 2.027 . 0 0 "[ ]" 1
1561 1 82 ILE MG 1 89 LYS HE2 3.300 . 5.500 4.676 4.676 4.676 . 0 0 "[ ]" 1
1562 1 82 ILE MG 1 89 LYS HG2 3.600 . 5.500 3.911 3.911 3.911 . 0 0 "[ ]" 1
1563 1 83 ARG H 1 83 ARG HA 2.900 . 4.600 2.851 2.851 2.851 . 0 0 "[ ]" 1
1564 1 83 ARG H 1 83 ARG HB2 2.400 . 3.600 2.071 2.071 2.071 . 0 0 "[ ]" 1
1565 1 83 ARG H 1 83 ARG HD3 3.600 . 5.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
1566 1 83 ARG H 1 83 ARG HG2 3.100 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
1567 1 83 ARG H 1 83 ARG HG3 3.000 . 4.800 3.830 3.830 3.830 . 0 0 "[ ]" 1
1568 1 83 ARG H 1 84 GLU H 2.800 . 4.400 2.725 2.725 2.725 . 0 0 "[ ]" 1
1569 1 83 ARG HA 1 83 ARG HB3 2.100 . 3.000 2.682 2.682 2.682 . 0 0 "[ ]" 1
1570 1 83 ARG HA 1 83 ARG HG2 2.400 . 3.600 3.593 3.593 3.593 . 0 0 "[ ]" 1
1571 1 83 ARG HA 1 83 ARG HG3 2.100 . 3.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
1572 1 83 ARG HB2 1 83 ARG HD3 2.000 . 2.800 2.595 2.595 2.595 . 0 0 "[ ]" 1
1573 1 83 ARG HB2 1 83 ARG HG3 2.000 . 2.800 3.005 3.005 3.005 0.205 1 0 "[ ]" 1
1574 1 83 ARG HB3 1 83 ARG HD3 2.300 . 4.500 3.779 3.779 3.779 . 0 0 "[ ]" 1
1575 1 83 ARG HB3 1 83 ARG HG2 2.900 . 4.600 2.486 2.486 2.486 . 0 0 "[ ]" 1
1576 1 83 ARG HD3 1 83 ARG HG2 2.000 . 2.800 2.464 2.464 2.464 . 0 0 "[ ]" 1
1577 1 83 ARG HD3 1 83 ARG HG3 2.200 . 3.200 3.040 3.040 3.040 . 0 0 "[ ]" 1
1578 1 83 ARG HD3 1 84 GLU H 4.800 . 5.500 4.757 4.757 4.757 . 0 0 "[ ]" 1
1579 1 83 ARG HG3 1 84 GLU H 3.300 . 5.500 5.071 5.071 5.071 . 0 0 "[ ]" 1
1580 1 84 GLU H 1 84 GLU HA 2.600 . 4.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
1581 1 84 GLU H 1 84 GLU HB2 2.900 . 4.600 2.234 2.234 2.234 . 0 0 "[ ]" 1
1582 1 84 GLU H 1 84 GLU HB3 2.600 . 4.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
1583 1 84 GLU H 1 84 GLU HG2 2.600 . 4.000 2.330 2.330 2.330 . 0 0 "[ ]" 1
1584 1 84 GLU H 1 84 GLU HG3 2.700 . 4.200 3.456 3.456 3.456 . 0 0 "[ ]" 1
1585 1 84 GLU H 1 85 GLY H 2.600 . 4.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
1586 1 84 GLU H 1 85 GLY HA3 3.500 . 5.500 5.378 5.378 5.378 . 0 0 "[ ]" 1
1587 1 84 GLU H 1 86 TYR H 4.100 . 5.500 4.346 4.346 4.346 . 0 0 "[ ]" 1
1588 1 84 GLU H 1 87 ILE H 3.400 . 5.500 5.403 5.403 5.403 . 0 0 "[ ]" 1
1589 1 84 GLU HA 1 84 GLU HB3 2.200 . 3.200 2.582 2.582 2.582 . 0 0 "[ ]" 1
1590 1 84 GLU HA 1 84 GLU HG2 2.600 . 4.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
1591 1 84 GLU HA 1 84 GLU HG3 2.900 . 4.600 3.670 3.670 3.670 . 0 0 "[ ]" 1
1592 1 84 GLU HB2 1 84 GLU HG3 2.200 . 3.200 2.386 2.386 2.386 . 0 0 "[ ]" 1
1593 1 84 GLU HB2 1 86 TYR H 3.500 . 5.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
1594 1 84 GLU HB3 1 84 GLU HG2 2.400 . 3.600 3.024 3.024 3.024 . 0 0 "[ ]" 1
1595 1 84 GLU HB3 1 84 GLU HG3 2.400 . 3.600 2.562 2.562 2.562 . 0 0 "[ ]" 1
1596 1 84 GLU HB3 1 85 GLY H 3.200 . 5.200 3.171 3.171 3.171 . 0 0 "[ ]" 1
1597 1 84 GLU HB3 1 86 TYR H 3.700 . 5.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
1598 1 84 GLU HG2 1 85 GLY H 4.700 . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
1599 1 85 GLY H 1 85 GLY HA2 2.400 . 3.600 2.609 2.609 2.609 . 0 0 "[ ]" 1
1600 1 85 GLY H 1 85 GLY HA3 2.400 . 3.600 2.981 2.981 2.981 . 0 0 "[ ]" 1
1601 1 85 GLY H 1 86 TYR H 2.600 . 4.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
1602 1 85 GLY H 1 86 TYR HA 4.500 . 5.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
1603 1 85 GLY H 1 86 TYR HB3 4.600 . 5.500 5.242 5.242 5.242 . 0 0 "[ ]" 1
1604 1 85 GLY HA2 1 86 TYR H 3.000 . 4.800 3.382 3.382 3.382 . 0 0 "[ ]" 1
1605 1 85 GLY HA3 1 86 TYR H 3.100 . 5.000 3.259 3.259 3.259 . 0 0 "[ ]" 1
1606 1 85 GLY HA3 1 87 ILE H 3.700 . 5.500 4.848 4.848 4.848 . 0 0 "[ ]" 1
1607 1 86 TYR H 1 86 TYR HA 2.800 . 4.400 2.851 2.851 2.851 . 0 0 "[ ]" 1
1608 1 86 TYR H 1 86 TYR HB2 2.800 . 4.400 2.221 2.221 2.221 . 0 0 "[ ]" 1
1609 1 86 TYR H 1 86 TYR HB3 2.700 . 4.200 3.497 3.497 3.497 . 0 0 "[ ]" 1
1610 1 86 TYR H 1 87 ILE H 2.500 . 3.800 2.709 2.709 2.709 . 0 0 "[ ]" 1
1611 1 86 TYR H 1 87 ILE HG12 3.200 . 5.200 4.201 4.201 4.201 . 0 0 "[ ]" 1
1612 1 86 TYR H 1 87 ILE HG13 4.300 . 5.500 5.229 5.229 5.229 . 0 0 "[ ]" 1
1613 1 86 TYR H 1 87 ILE MG 3.300 . 5.500 4.548 4.548 4.548 . 0 0 "[ ]" 1
1614 1 86 TYR HA 1 86 TYR HB2 2.300 . 3.400 3.028 3.028 3.028 . 0 0 "[ ]" 1
1615 1 86 TYR HA 1 86 TYR HB3 2.400 . 3.600 2.596 2.596 2.596 . 0 0 "[ ]" 1
1616 1 86 TYR HA 1 86 TYR QD 2.500 . 3.800 2.814 2.814 2.814 . 0 0 "[ ]" 1
1617 1 86 TYR HA 1 86 TYR QE 5.000 . 5.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
1618 1 86 TYR HA 1 87 ILE H 3.200 . 5.200 3.557 3.557 3.557 . 0 0 "[ ]" 1
1619 1 86 TYR HB2 1 86 TYR QD 2.500 . 3.800 2.391 2.391 2.391 . 0 0 "[ ]" 1
1620 1 86 TYR HB2 1 87 ILE H 3.200 . 5.200 2.601 2.601 2.601 . 0 0 "[ ]" 1
1621 1 86 TYR HB2 1 87 ILE MG 2.700 . 4.200 3.192 3.192 3.192 . 0 0 "[ ]" 1
1622 1 86 TYR HB3 1 86 TYR QD 2.700 . 4.200 2.439 2.439 2.439 . 0 0 "[ ]" 1
1623 1 86 TYR HB3 1 87 ILE H 2.900 . 4.600 3.441 3.441 3.441 . 0 0 "[ ]" 1
1624 1 86 TYR HB3 1 87 ILE MD 3.800 . 5.500 4.779 4.779 4.779 . 0 0 "[ ]" 1
1625 1 86 TYR HB3 1 87 ILE MG 2.700 . 4.200 2.772 2.772 2.772 . 0 0 "[ ]" 1
1626 1 86 TYR QD 1 87 ILE MG 3.800 . 5.500 4.337 4.337 4.337 . 0 0 "[ ]" 1
1627 1 87 ILE H 1 87 ILE HA 3.000 . 4.800 2.998 2.998 2.998 . 0 0 "[ ]" 1
1628 1 87 ILE H 1 87 ILE HB 3.000 . 4.800 3.768 3.768 3.768 . 0 0 "[ ]" 1
1629 1 87 ILE H 1 87 ILE MD 2.900 . 4.600 3.785 3.785 3.785 . 0 0 "[ ]" 1
1630 1 87 ILE H 1 87 ILE HG12 3.100 . 5.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
1631 1 87 ILE H 1 87 ILE MG 3.000 . 4.800 2.863 2.863 2.863 . 0 0 "[ ]" 1
1632 1 87 ILE H 1 88 THR H 3.900 . 5.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
1633 1 87 ILE HA 1 87 ILE HB 2.300 . 3.400 2.489 2.489 2.489 . 0 0 "[ ]" 1
1634 1 87 ILE HA 1 87 ILE MD 3.300 . 5.500 4.135 4.135 4.135 . 0 0 "[ ]" 1
1635 1 87 ILE HA 1 87 ILE HG12 3.500 . 5.500 3.760 3.760 3.760 . 0 0 "[ ]" 1
1636 1 87 ILE HA 1 87 ILE HG13 3.600 . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
1637 1 87 ILE HA 1 87 ILE MG 2.200 . 3.200 2.302 2.302 2.302 . 0 0 "[ ]" 1
1638 1 87 ILE HA 1 88 THR H 2.600 . 4.000 2.603 2.603 2.603 . 0 0 "[ ]" 1
1639 1 87 ILE HA 1 88 THR MG 2.800 . 4.400 3.712 3.712 3.712 . 0 0 "[ ]" 1
1640 1 87 ILE HB 1 87 ILE MD 2.100 . 3.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
1641 1 87 ILE HB 1 87 ILE HG12 2.300 . 3.400 3.028 3.028 3.028 . 0 0 "[ ]" 1
1642 1 87 ILE HB 1 87 ILE MG 2.100 . 3.000 2.110 2.110 2.110 . 0 0 "[ ]" 1
1643 1 87 ILE HB 1 88 THR H 2.500 . 3.800 2.346 2.346 2.346 . 0 0 "[ ]" 1
1644 1 87 ILE MD 1 87 ILE HG12 2.100 . 3.000 2.146 2.146 2.146 . 0 0 "[ ]" 1
1645 1 87 ILE MD 1 87 ILE MG 2.100 . 3.000 2.001 2.001 2.001 . 0 0 "[ ]" 1
1646 1 87 ILE MD 1 88 THR H 3.100 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
1647 1 87 ILE MD 1 88 THR HA 3.500 . 5.500 5.076 5.076 5.076 . 0 0 "[ ]" 1
1648 1 87 ILE HG12 1 88 THR H 3.200 . 5.200 4.544 4.544 4.544 . 0 0 "[ ]" 1
1649 1 87 ILE MG 1 88 THR H 2.900 . 4.600 3.792 3.792 3.792 . 0 0 "[ ]" 1
1650 1 88 THR H 1 88 THR HB 3.200 . 5.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
1651 1 88 THR H 1 88 THR MG 3.100 . 5.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
1652 1 88 THR H 1 89 LYS H 3.500 . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
1653 1 88 THR HA 1 88 THR HB 2.100 . 3.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
1654 1 88 THR HA 1 88 THR MG 2.100 . 3.000 2.094 2.094 2.094 . 0 0 "[ ]" 1
1655 1 88 THR HB 1 88 THR MG 2.000 . 2.800 2.136 2.136 2.136 . 0 0 "[ ]" 1
1656 1 88 THR HB 1 89 LYS H 2.600 . 4.000 2.566 2.566 2.566 . 0 0 "[ ]" 1
1657 1 88 THR MG 1 89 LYS H 3.100 . 5.000 3.423 3.423 3.423 . 0 0 "[ ]" 1
1658 1 89 LYS H 1 89 LYS HB2 2.500 . 3.800 2.481 2.481 2.481 . 0 0 "[ ]" 1
1659 1 89 LYS H 1 89 LYS HG2 2.900 . 4.600 4.538 4.538 4.538 . 0 0 "[ ]" 1
1660 1 89 LYS H 1 90 ALA H 3.100 . 5.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
1661 1 89 LYS HA 1 89 LYS HB2 2.100 . 3.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
1662 1 89 LYS HA 1 89 LYS HE2 3.700 . 5.500 5.426 5.426 5.426 . 0 0 "[ ]" 1
1663 1 89 LYS HA 1 89 LYS HG2 2.300 . 3.400 2.472 2.472 2.472 . 0 0 "[ ]" 1
1664 1 89 LYS HA 1 90 ALA H 2.400 . 3.600 2.624 2.624 2.624 . 0 0 "[ ]" 1
1665 1 89 LYS HA 1 90 ALA HA 3.300 . 5.500 4.763 4.763 4.763 . 0 0 "[ ]" 1
1666 1 89 LYS HA 1 90 ALA MB 3.400 . 5.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
1667 1 89 LYS HB2 1 89 LYS HE2 3.500 . 5.500 4.948 4.948 4.948 . 0 0 "[ ]" 1
1668 1 89 LYS HB2 1 89 LYS HG2 2.100 . 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 1
1669 1 89 LYS HB2 1 90 ALA H 2.900 . 4.600 4.627 4.627 4.627 0.027 1 0 "[ ]" 1
1670 1 89 LYS HE2 1 89 LYS HG2 2.100 . 3.000 3.000 3.000 3.000 0.000 1 0 "[ ]" 1
1671 1 89 LYS HG2 1 90 ALA H 3.000 . 4.800 4.457 4.457 4.457 . 0 0 "[ ]" 1
1672 1 90 ALA H 1 90 ALA HA 2.900 . 4.600 2.363 2.363 2.363 . 0 0 "[ ]" 1
1673 1 90 ALA H 1 90 ALA MB 2.500 . 3.800 2.781 2.781 2.781 . 0 0 "[ ]" 1
1674 1 90 ALA HA 1 90 ALA MB 2.100 . 3.000 2.121 2.121 2.121 . 0 0 "[ ]" 1
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