NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370331 |
1bqx   |
4229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bqx
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 936
_Distance_constraint_stats_list.Viol_count 89
_Distance_constraint_stats_list.Viol_total 5.275
_Distance_constraint_stats_list.Viol_max 0.248
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0593
_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 1 ALA 0.000 0.000 . 0 "[ ]"
1 2 TYR 0.031 0.031 1 0 "[ ]"
1 3 VAL 0.148 0.128 1 0 "[ ]"
1 4 ILE 0.095 0.095 1 0 "[ ]"
1 5 THR 0.000 0.000 . 0 "[ ]"
1 6 GLU 0.288 0.116 1 0 "[ ]"
1 7 PRO 0.025 0.025 1 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.122 0.061 1 0 "[ ]"
1 10 GLY 0.000 0.000 . 0 "[ ]"
1 11 THR 0.092 0.069 1 0 "[ ]"
1 12 LYS 0.000 0.000 . 0 "[ ]"
1 13 CYS 0.075 0.075 1 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 SER 0.000 0.000 . 0 "[ ]"
1 16 CYS 0.000 0.000 . 0 "[ ]"
1 17 VAL 0.084 0.084 1 0 "[ ]"
1 18 GLU 0.021 0.021 1 0 "[ ]"
1 19 VAL 0.021 0.021 1 0 "[ ]"
1 20 CYS 0.000 0.000 . 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 VAL 0.000 0.000 . 0 "[ ]"
1 23 ASP 0.000 0.000 . 0 "[ ]"
1 24 CYS 0.027 0.027 1 0 "[ ]"
1 25 ILE 0.000 0.000 . 0 "[ ]"
1 26 HIS 0.226 0.106 1 0 "[ ]"
1 27 GLU 0.218 0.092 1 0 "[ ]"
1 28 GLY 0.000 0.000 . 0 "[ ]"
1 29 GLU 0.102 0.102 1 0 "[ ]"
1 30 ASP 0.102 0.102 1 0 "[ ]"
1 31 GLN 0.243 0.083 1 0 "[ ]"
1 32 TYR 0.010 0.010 1 0 "[ ]"
1 33 TYR 0.205 0.106 1 0 "[ ]"
1 34 ILE 0.118 0.118 1 0 "[ ]"
1 35 ASP 0.128 0.070 1 0 "[ ]"
1 36 PRO 0.013 0.013 1 0 "[ ]"
1 37 ASP 0.045 0.017 1 0 "[ ]"
1 38 VAL 0.169 0.070 1 0 "[ ]"
1 39 CYS 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 ASP 0.000 0.000 . 0 "[ ]"
1 42 CYS 0.000 0.000 . 0 "[ ]"
1 45 CYS 0.032 0.032 1 0 "[ ]"
1 46 GLU 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 VAL 0.036 0.032 1 0 "[ ]"
1 49 CYS 0.062 0.062 1 0 "[ ]"
1 50 PRO 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 SER 0.000 0.000 . 0 "[ ]"
1 53 ALA 0.000 0.000 . 0 "[ ]"
1 54 ILE 0.062 0.062 1 0 "[ ]"
1 55 TYR 0.237 0.093 1 0 "[ ]"
1 56 HIS 0.295 0.128 1 0 "[ ]"
1 57 GLU 0.310 0.180 1 0 "[ ]"
1 58 ASP 0.174 0.121 1 0 "[ ]"
1 59 PHE 0.578 0.180 1 0 "[ ]"
1 60 VAL 0.027 0.027 1 0 "[ ]"
1 61 PRO 0.012 0.012 1 0 "[ ]"
1 62 GLU 0.332 0.248 1 0 "[ ]"
1 63 GLU 0.048 0.039 1 0 "[ ]"
1 64 TRP 0.146 0.116 1 0 "[ ]"
1 65 LYS 0.276 0.201 1 0 "[ ]"
1 66 SER 0.107 0.090 1 0 "[ ]"
1 67 TYR 0.190 0.128 1 0 "[ ]"
1 68 ILE 0.084 0.028 1 0 "[ ]"
1 69 GLN 0.010 0.010 1 0 "[ ]"
1 70 LYS 0.301 0.074 1 0 "[ ]"
1 71 ASN 0.331 0.128 1 0 "[ ]"
1 72 ARG 0.771 0.228 1 0 "[ ]"
1 73 ASP 0.538 0.207 1 0 "[ ]"
1 74 PHE 0.047 0.033 1 0 "[ ]"
1 75 PHE 0.422 0.228 1 0 "[ ]"
1 76 LYS 0.255 0.207 1 0 "[ ]"
1 77 LYS 0.000 0.000 . 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 1 ALA HA 1 39 CYS HB3 . . 4.300 3.719 3.719 3.719 . 0 0 "[ ]" 1
2 1 1 ALA HA 1 41 ASP H . . 4.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
3 1 1 ALA MB 1 36 PRO HA . . 3.800 2.100 2.100 2.100 . 0 0 "[ ]" 1
4 1 1 ALA MB 1 36 PRO HB3 . . 4.100 2.606 2.606 2.606 . 0 0 "[ ]" 1
5 1 1 ALA MB 1 39 CYS HB3 . . 3.940 2.219 2.219 2.219 . 0 0 "[ ]" 1
6 1 2 TYR H 1 39 CYS HB3 . . 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
7 1 2 TYR HA 1 3 VAL H . . 2.900 2.163 2.163 2.163 . 0 0 "[ ]" 1
8 1 2 TYR HA 1 3 VAL HB . . 4.600 4.501 4.501 4.501 . 0 0 "[ ]" 1
9 1 2 TYR HA 1 3 VAL QG . . 7.800 3.167 3.167 3.167 . 0 0 "[ ]" 1
10 1 2 TYR HA 1 56 HIS H . . 5.700 4.290 4.290 4.290 . 0 0 "[ ]" 1
11 1 2 TYR HA 1 56 HIS HA . . 2.400 2.111 2.111 2.111 . 0 0 "[ ]" 1
12 1 2 TYR HA 1 56 HIS HD2 . . 6.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
13 1 2 TYR HA 1 57 GLU H . . 3.100 3.131 3.131 3.131 0.031 1 0 "[ ]" 1
14 1 2 TYR QR 1 41 ASP H . . 4.800 4.249 4.249 4.249 . 0 0 "[ ]" 1
15 1 2 TYR QD 1 46 GLU HA . . 8.000 5.458 5.458 5.458 . 0 0 "[ ]" 1
16 1 2 TYR QD 1 46 GLU HB2 . . 8.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
17 1 2 TYR QD 1 46 GLU HB3 . . 8.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
18 1 2 TYR QD 1 56 HIS H . . 8.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
19 1 2 TYR QD 1 56 HIS HB2 . . 8.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
20 1 2 TYR HE2 1 46 GLU HB2 . . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
21 1 2 TYR HE2 1 46 GLU QB . . 4.770 3.846 3.846 3.846 . 0 0 "[ ]" 1
22 1 2 TYR HE2 1 46 GLU HB3 . . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
23 1 3 VAL H 1 3 VAL HB . . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
24 1 3 VAL H 1 4 ILE H . . 5.200 4.464 4.464 4.464 . 0 0 "[ ]" 1
25 1 3 VAL H 1 55 TYR H . . 3.100 3.113 3.113 3.113 0.013 1 0 "[ ]" 1
26 1 3 VAL H 1 55 TYR HB2 . . 6.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
27 1 3 VAL H 1 55 TYR QD . . 8.000 5.970 5.970 5.970 . 0 0 "[ ]" 1
28 1 3 VAL H 1 55 TYR O . . 2.400 1.769 1.769 1.769 . 0 0 "[ ]" 1
29 1 3 VAL H 1 56 HIS HA . . 3.300 3.428 3.428 3.428 0.128 1 0 "[ ]" 1
30 1 3 VAL H 1 57 GLU H . . 4.800 3.910 3.910 3.910 . 0 0 "[ ]" 1
31 1 3 VAL H 1 60 VAL QG . . 8.400 3.723 3.723 3.723 . 0 0 "[ ]" 1
32 1 3 VAL HA 1 4 ILE H . . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 1
33 1 3 VAL HA 1 34 ILE H . . 5.800 4.159 4.159 4.159 . 0 0 "[ ]" 1
34 1 3 VAL HB 1 4 ILE H . . 5.200 3.937 3.937 3.937 . 0 0 "[ ]" 1
35 1 3 VAL HB 1 55 TYR H . . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
36 1 3 VAL HB 1 57 GLU HA . . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
37 1 3 VAL HB 1 57 GLU HB2 . . 6.000 4.629 4.629 4.629 . 0 0 "[ ]" 1
38 1 3 VAL HB 1 57 GLU QB . . 5.320 3.636 3.636 3.636 . 0 0 "[ ]" 1
39 1 3 VAL HB 1 57 GLU HB3 . . 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
40 1 3 VAL HB 1 68 ILE QG . . 4.380 2.740 2.740 2.740 . 0 0 "[ ]" 1
41 1 3 VAL HB 1 68 ILE MG . . 6.700 4.552 4.552 4.552 . 0 0 "[ ]" 1
42 1 3 VAL QG 1 4 ILE H . . 6.200 2.327 2.327 2.327 . 0 0 "[ ]" 1
43 1 3 VAL QG 1 5 THR MG . . 7.300 3.580 3.580 3.580 . 0 0 "[ ]" 1
44 1 3 VAL QG 1 55 TYR H . . 8.400 4.619 4.619 4.619 . 0 0 "[ ]" 1
45 1 3 VAL QG 1 57 GLU H . . 7.600 3.032 3.032 3.032 . 0 0 "[ ]" 1
46 1 3 VAL QG 1 57 GLU QB . . 7.780 2.139 2.139 2.139 . 0 0 "[ ]" 1
47 1 3 VAL QG 1 67 TYR H . . 8.400 5.423 5.423 5.423 . 0 0 "[ ]" 1
48 1 3 VAL QG 1 67 TYR HB2 . . 8.400 3.930 3.930 3.930 . 0 0 "[ ]" 1
49 1 3 VAL QG 1 67 TYR HB3 . . 6.700 3.419 3.419 3.419 . 0 0 "[ ]" 1
50 1 3 VAL QG 1 68 ILE H . . 7.600 4.049 4.049 4.049 . 0 0 "[ ]" 1
51 1 3 VAL QG 1 68 ILE HA . . 5.200 2.136 2.136 2.136 . 0 0 "[ ]" 1
52 1 3 VAL QG 1 68 ILE HB . . 8.400 4.182 4.182 4.182 . 0 0 "[ ]" 1
53 1 3 VAL QG 1 68 ILE MD . . 6.000 2.258 2.258 2.258 . 0 0 "[ ]" 1
54 1 3 VAL QG 1 68 ILE QG . . 8.880 2.261 2.261 2.261 . 0 0 "[ ]" 1
55 1 3 VAL QG 1 71 ASN H . . 6.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
56 1 3 VAL QG 1 71 ASN QD . . 9.400 2.527 2.527 2.527 . 0 0 "[ ]" 1
57 1 3 VAL N 1 55 TYR O . . 3.300 2.786 2.786 2.786 . 0 0 "[ ]" 1
58 1 4 ILE H 1 4 ILE HB . . 3.400 3.495 3.495 3.495 0.095 1 0 "[ ]" 1
59 1 4 ILE H 1 34 ILE H . . 3.700 3.470 3.470 3.470 . 0 0 "[ ]" 1
60 1 4 ILE H 1 71 ASN QD . . 7.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
61 1 4 ILE HA 1 5 THR H . . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
62 1 4 ILE HA 1 5 THR MG . . 7.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
63 1 4 ILE HA 1 8 CYS HB3 . . 5.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
64 1 4 ILE HA 1 54 ILE HA . . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
65 1 4 ILE HB 1 31 GLN HE21 . . 6.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
66 1 4 ILE HB 1 31 GLN HE22 . . 6.000 3.763 3.763 3.763 . 0 0 "[ ]" 1
67 1 4 ILE HB 1 33 TYR HA . . 5.800 4.839 4.839 4.839 . 0 0 "[ ]" 1
68 1 4 ILE HB 1 71 ASN QD . . 7.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
69 1 5 THR H 1 5 THR MG . . 4.100 3.321 3.321 3.321 . 0 0 "[ ]" 1
70 1 5 THR HA 1 5 THR HB . . 2.800 2.486 2.486 2.486 . 0 0 "[ ]" 1
71 1 5 THR HA 1 5 THR MG . . 3.400 2.279 2.279 2.279 . 0 0 "[ ]" 1
72 1 5 THR HA 1 67 TYR HB3 . . 4.300 3.034 3.034 3.034 . 0 0 "[ ]" 1
73 1 5 THR HA 1 67 TYR QD . . 6.100 3.216 3.216 3.216 . 0 0 "[ ]" 1
74 1 5 THR HA 1 67 TYR QE . . 8.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
75 1 5 THR HB 1 6 GLU HB3 . . 3.800 3.251 3.251 3.251 . 0 0 "[ ]" 1
76 1 5 THR HB 1 64 TRP HA . . 6.000 4.786 4.786 4.786 . 0 0 "[ ]" 1
77 1 5 THR HB 1 64 TRP HB2 . . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
78 1 5 THR HB 1 64 TRP HD1 . . 6.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
79 1 5 THR HB 1 64 TRP HE1 . . 6.000 5.213 5.213 5.213 . 0 0 "[ ]" 1
80 1 5 THR HB 1 64 TRP HE3 . . 3.700 3.150 3.150 3.150 . 0 0 "[ ]" 1
81 1 5 THR HB 1 67 TYR QD . . 7.000 3.288 3.288 3.288 . 0 0 "[ ]" 1
82 1 5 THR HB 1 67 TYR QE . . 7.200 3.978 3.978 3.978 . 0 0 "[ ]" 1
83 1 5 THR MG 1 55 TYR H . . 4.700 3.694 3.694 3.694 . 0 0 "[ ]" 1
84 1 5 THR MG 1 55 TYR QD . . 6.700 3.908 3.908 3.908 . 0 0 "[ ]" 1
85 1 5 THR MG 1 55 TYR QE . . 7.800 5.403 5.403 5.403 . 0 0 "[ ]" 1
86 1 5 THR MG 1 60 VAL HA . . 4.900 3.667 3.667 3.667 . 0 0 "[ ]" 1
87 1 5 THR MG 1 60 VAL QG . . 6.700 1.755 1.755 1.755 . 0 0 "[ ]" 1
88 1 5 THR MG 1 61 PRO HD2 . . 5.400 3.681 3.681 3.681 . 0 0 "[ ]" 1
89 1 5 THR MG 1 64 TRP HA . . 7.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
90 1 5 THR MG 1 64 TRP HB2 . . 5.600 3.334 3.334 3.334 . 0 0 "[ ]" 1
91 1 5 THR MG 1 64 TRP HB3 . . 4.600 2.502 2.502 2.502 . 0 0 "[ ]" 1
92 1 5 THR MG 1 64 TRP HE3 . . 5.700 2.595 2.595 2.595 . 0 0 "[ ]" 1
93 1 5 THR MG 1 67 TYR H . . 7.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
94 1 5 THR MG 1 67 TYR HB2 . . 4.100 2.797 2.797 2.797 . 0 0 "[ ]" 1
95 1 5 THR MG 1 67 TYR HB3 . . 4.400 3.704 3.704 3.704 . 0 0 "[ ]" 1
96 1 5 THR MG 1 67 TYR QD . . 7.900 3.314 3.314 3.314 . 0 0 "[ ]" 1
97 1 5 THR MG 1 67 TYR QE . . 6.500 4.755 4.755 4.755 . 0 0 "[ ]" 1
98 1 5 THR MG 1 68 ILE MD . . 5.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
99 1 6 GLU HA 1 6 GLU HB2 . . 2.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
100 1 6 GLU HA 1 6 GLU HG2 . . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 1
101 1 6 GLU HA 1 6 GLU QG . . 2.840 2.351 2.351 2.351 . 0 0 "[ ]" 1
102 1 6 GLU HA 1 6 GLU HG3 . . 3.300 2.396 2.396 2.396 . 0 0 "[ ]" 1
103 1 6 GLU HA 1 9 ILE H . . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1
104 1 6 GLU HA 1 9 ILE HB . . 3.700 3.761 3.761 3.761 0.061 1 0 "[ ]" 1
105 1 6 GLU HA 1 9 ILE MD . . 4.000 2.025 2.025 2.025 . 0 0 "[ ]" 1
106 1 6 GLU HA 1 9 ILE HG12 . . 5.100 4.595 4.595 4.595 . 0 0 "[ ]" 1
107 1 6 GLU HA 1 9 ILE QG . . 4.630 4.162 4.162 4.162 . 0 0 "[ ]" 1
108 1 6 GLU HA 1 9 ILE HG13 . . 5.100 4.759 4.759 4.759 . 0 0 "[ ]" 1
109 1 6 GLU HA 1 67 TYR QE . . 6.800 3.912 3.912 3.912 . 0 0 "[ ]" 1
110 1 6 GLU HB2 1 6 GLU HG2 . . 3.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
111 1 6 GLU HB2 1 6 GLU QG . . 2.670 2.424 2.424 2.424 . 0 0 "[ ]" 1
112 1 6 GLU HB2 1 6 GLU HG3 . . 3.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
113 1 6 GLU HB2 1 7 PRO QD . . 6.580 3.526 3.526 3.526 . 0 0 "[ ]" 1
114 1 6 GLU HB2 1 7 PRO QG . . 7.000 5.421 5.421 5.421 . 0 0 "[ ]" 1
115 1 6 GLU HB2 1 64 TRP HE1 . . 4.900 3.439 3.439 3.439 . 0 0 "[ ]" 1
116 1 6 GLU HB2 1 64 TRP HH2 . . 6.000 5.203 5.203 5.203 . 0 0 "[ ]" 1
117 1 6 GLU HB2 1 64 TRP HZ2 . . 4.800 4.162 4.162 4.162 . 0 0 "[ ]" 1
118 1 6 GLU HB3 1 7 PRO QG . . 5.200 3.978 3.978 3.978 . 0 0 "[ ]" 1
119 1 6 GLU HB3 1 64 TRP HD1 . . 6.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
120 1 6 GLU HB3 1 64 TRP HE1 . . 6.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
121 1 6 GLU HB3 1 64 TRP HH2 . . 6.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
122 1 6 GLU HB3 1 67 TYR QE . . 6.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
123 1 6 GLU QG 1 9 ILE MD . . 4.880 3.009 3.009 3.009 . 0 0 "[ ]" 1
124 1 6 GLU QG 1 64 TRP HD1 . . 6.880 5.337 5.337 5.337 . 0 0 "[ ]" 1
125 1 6 GLU QG 1 64 TRP HH2 . . 5.380 4.063 4.063 4.063 . 0 0 "[ ]" 1
126 1 6 GLU QG 1 64 TRP HZ2 . . 4.690 2.882 2.882 2.882 . 0 0 "[ ]" 1
127 1 6 GLU QG 1 64 TRP HZ3 . . 6.880 5.710 5.710 5.710 . 0 0 "[ ]" 1
128 1 6 GLU HG2 1 64 TRP HH2 . . 5.600 4.158 4.158 4.158 . 0 0 "[ ]" 1
129 1 6 GLU HG2 1 64 TRP HZ2 . . 5.200 2.919 2.919 2.919 . 0 0 "[ ]" 1
130 1 6 GLU HG3 1 64 TRP HH2 . . 5.600 5.716 5.716 5.716 0.116 1 0 "[ ]" 1
131 1 6 GLU HG3 1 64 TRP HZ2 . . 5.200 4.459 4.459 4.459 . 0 0 "[ ]" 1
132 1 6 GLU O 1 9 ILE H . . 2.400 2.087 2.087 2.087 . 0 0 "[ ]" 1
133 1 6 GLU O 1 9 ILE N . . 3.300 3.076 3.076 3.076 . 0 0 "[ ]" 1
134 1 7 PRO HA 1 9 ILE H . . 3.800 3.825 3.825 3.825 0.025 1 0 "[ ]" 1
135 1 7 PRO QD 1 55 TYR QE . . 8.880 5.630 5.630 5.630 . 0 0 "[ ]" 1
136 1 7 PRO QD 1 64 TRP HE1 . . 6.880 4.870 4.870 4.870 . 0 0 "[ ]" 1
137 1 7 PRO QG 1 55 TYR QE . . 9.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
138 1 7 PRO QG 1 64 TRP HE1 . . 7.000 6.222 6.222 6.222 . 0 0 "[ ]" 1
139 1 7 PRO QG 1 64 TRP HZ3 . . 7.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
140 1 8 CYS H 1 8 CYS HB3 . . 3.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
141 1 8 CYS H 1 9 ILE H . . 3.500 1.911 1.911 1.911 . 0 0 "[ ]" 1
142 1 8 CYS SG 1 13 CYS SG . . 6.380 6.126 6.126 6.126 . 0 0 "[ ]" 1
143 1 8 CYS SG 1 16 CYS SG . . 6.380 5.875 5.875 5.875 . 0 0 "[ ]" 1
144 1 8 CYS SG 1 49 CYS SG . . 6.380 5.873 5.873 5.873 . 0 0 "[ ]" 1
145 1 9 ILE H 1 9 ILE HB . . 2.700 2.147 2.147 2.147 . 0 0 "[ ]" 1
146 1 9 ILE H 1 9 ILE MD . . 4.100 2.152 2.152 2.152 . 0 0 "[ ]" 1
147 1 9 ILE H 1 9 ILE QG . . 3.580 3.194 3.194 3.194 . 0 0 "[ ]" 1
148 1 9 ILE H 1 9 ILE MG . . 4.700 3.624 3.624 3.624 . 0 0 "[ ]" 1
149 1 9 ILE HA 1 9 ILE MD . . 3.900 3.246 3.246 3.246 . 0 0 "[ ]" 1
150 1 9 ILE HA 1 9 ILE HG12 . . 3.600 3.403 3.403 3.403 . 0 0 "[ ]" 1
151 1 9 ILE HA 1 9 ILE HG13 . . 3.600 2.147 2.147 2.147 . 0 0 "[ ]" 1
152 1 9 ILE HA 1 9 ILE MG . . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
153 1 9 ILE HA 1 10 GLY H . . 3.100 2.225 2.225 2.225 . 0 0 "[ ]" 1
154 1 9 ILE HA 1 31 GLN HB2 . . 5.400 3.319 3.319 3.319 . 0 0 "[ ]" 1
155 1 9 ILE HB 1 67 TYR QE . . 8.000 5.961 5.961 5.961 . 0 0 "[ ]" 1
156 1 9 ILE MD 1 31 GLN HB2 . . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
157 1 9 ILE MD 1 31 GLN QG . . 5.980 3.806 3.806 3.806 . 0 0 "[ ]" 1
158 1 9 ILE MD 1 67 TYR QE . . 8.900 2.843 2.843 2.843 . 0 0 "[ ]" 1
159 1 9 ILE QG 1 31 GLN HB2 . . 4.610 3.558 3.558 3.558 . 0 0 "[ ]" 1
160 1 9 ILE QG 1 31 GLN HB3 . . 5.380 2.956 2.956 2.956 . 0 0 "[ ]" 1
161 1 9 ILE QG 1 67 TYR QE . . 6.680 4.222 4.222 4.222 . 0 0 "[ ]" 1
162 1 9 ILE HG12 1 9 ILE MG . . 3.700 2.157 2.157 2.157 . 0 0 "[ ]" 1
163 1 9 ILE HG12 1 31 GLN HB2 . . 5.300 5.335 5.335 5.335 0.035 1 0 "[ ]" 1
164 1 9 ILE HG13 1 9 ILE MG . . 3.700 2.785 2.785 2.785 . 0 0 "[ ]" 1
165 1 9 ILE HG13 1 31 GLN HB2 . . 5.300 3.613 3.613 3.613 . 0 0 "[ ]" 1
166 1 9 ILE MG 1 10 GLY H . . 6.600 2.628 2.628 2.628 . 0 0 "[ ]" 1
167 1 9 ILE MG 1 10 GLY HA2 . . 4.800 3.459 3.459 3.459 . 0 0 "[ ]" 1
168 1 9 ILE MG 1 10 GLY HA3 . . 6.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
169 1 9 ILE MG 1 30 ASP HB2 . . 6.200 4.469 4.469 4.469 . 0 0 "[ ]" 1
170 1 9 ILE MG 1 30 ASP QB . . 5.890 3.676 3.676 3.676 . 0 0 "[ ]" 1
171 1 9 ILE MG 1 30 ASP HB3 . . 6.200 3.910 3.910 3.910 . 0 0 "[ ]" 1
172 1 10 GLY H 1 11 THR H . . 3.900 2.388 2.388 2.388 . 0 0 "[ ]" 1
173 1 10 GLY HA2 1 11 THR H . . 2.900 2.567 2.567 2.567 . 0 0 "[ ]" 1
174 1 11 THR H 1 11 THR HB . . 3.200 3.223 3.223 3.223 0.023 1 0 "[ ]" 1
175 1 11 THR H 1 11 THR MG . . 4.500 3.631 3.631 3.631 . 0 0 "[ ]" 1
176 1 11 THR HA 1 11 THR HB . . 2.900 2.969 2.969 2.969 0.069 1 0 "[ ]" 1
177 1 12 LYS NZ 1 27 GLU HB2 . . 6.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
178 1 13 CYS HA 1 13 CYS HB3 . . 2.900 2.975 2.975 2.975 0.075 1 0 "[ ]" 1
179 1 13 CYS HB3 1 14 ALA HA . . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
180 1 13 CYS HB3 1 31 GLN HA . . 5.000 3.443 3.443 3.443 . 0 0 "[ ]" 1
181 1 13 CYS SG 1 16 CYS SG . . 6.380 5.431 5.431 5.431 . 0 0 "[ ]" 1
182 1 13 CYS SG 1 49 CYS SG . . 6.380 5.874 5.874 5.874 . 0 0 "[ ]" 1
183 1 15 SER H 1 15 SER HB2 . . 4.200 3.068 3.068 3.068 . 0 0 "[ ]" 1
184 1 15 SER HB3 1 48 VAL HB . . 5.700 4.749 4.749 4.749 . 0 0 "[ ]" 1
185 1 16 CYS HA 1 16 CYS HB2 . . 2.800 2.426 2.426 2.426 . 0 0 "[ ]" 1
186 1 16 CYS HB2 1 19 VAL QG . . 6.060 3.840 3.840 3.840 . 0 0 "[ ]" 1
187 1 16 CYS HB2 1 25 ILE QG . . 4.500 4.059 4.059 4.059 . 0 0 "[ ]" 1
188 1 16 CYS HB2 1 25 ILE MG . . 4.100 2.554 2.554 2.554 . 0 0 "[ ]" 1
189 1 16 CYS HB2 1 34 ILE QG . . 4.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
190 1 16 CYS HB2 1 45 CYS HA . . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
191 1 16 CYS HB2 1 45 CYS HB2 . . 2.600 2.533 2.533 2.533 . 0 0 "[ ]" 1
192 1 16 CYS HB2 1 48 VAL QG . . 6.060 4.373 4.373 4.373 . 0 0 "[ ]" 1
193 1 16 CYS HB2 1 54 ILE MD . . 4.400 3.232 3.232 3.232 . 0 0 "[ ]" 1
194 1 16 CYS SG 1 49 CYS SG . . 6.380 5.924 5.924 5.924 . 0 0 "[ ]" 1
195 1 17 VAL HA 1 17 VAL HB . . 2.900 2.984 2.984 2.984 0.084 1 0 "[ ]" 1
196 1 17 VAL HA 1 25 ILE HB . . 6.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
197 1 17 VAL HB 1 18 GLU H . . 4.700 2.037 2.037 2.037 . 0 0 "[ ]" 1
198 1 17 VAL QG 1 18 GLU HB3 . . 7.660 3.011 3.011 3.011 . 0 0 "[ ]" 1
199 1 17 VAL QG 1 18 GLU QG . . 8.140 4.207 4.207 4.207 . 0 0 "[ ]" 1
200 1 17 VAL QG 1 32 TYR HB2 . . 6.960 4.398 4.398 4.398 . 0 0 "[ ]" 1
201 1 18 GLU H 1 18 GLU HB2 . . 3.800 3.559 3.559 3.559 . 0 0 "[ ]" 1
202 1 18 GLU H 1 18 GLU HB3 . . 3.700 2.542 2.542 2.542 . 0 0 "[ ]" 1
203 1 18 GLU H 1 18 GLU HG2 . . 4.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
204 1 18 GLU H 1 18 GLU HG3 . . 4.500 3.737 3.737 3.737 . 0 0 "[ ]" 1
205 1 18 GLU H 1 19 VAL H . . 3.300 3.285 3.285 3.285 . 0 0 "[ ]" 1
206 1 18 GLU HA 1 18 GLU HB2 . . 2.700 2.392 2.392 2.392 . 0 0 "[ ]" 1
207 1 18 GLU HA 1 18 GLU HB3 . . 3.000 2.416 2.416 2.416 . 0 0 "[ ]" 1
208 1 18 GLU HA 1 18 GLU QG . . 3.770 3.421 3.421 3.421 . 0 0 "[ ]" 1
209 1 18 GLU HB3 1 19 VAL H . . 4.600 4.621 4.621 4.621 0.021 1 0 "[ ]" 1
210 1 19 VAL H 1 19 VAL HB . . 3.800 3.010 3.010 3.010 . 0 0 "[ ]" 1
211 1 19 VAL H 1 19 VAL MG1 . . 4.800 2.080 2.080 2.080 . 0 0 "[ ]" 1
212 1 19 VAL H 1 19 VAL QG . . 4.090 2.072 2.072 2.072 . 0 0 "[ ]" 1
213 1 19 VAL H 1 19 VAL MG2 . . 4.800 3.908 3.908 3.908 . 0 0 "[ ]" 1
214 1 19 VAL H 1 20 CYS H . . 3.200 1.987 1.987 1.987 . 0 0 "[ ]" 1
215 1 19 VAL H 1 20 CYS HB3 . . 4.400 4.313 4.313 4.313 . 0 0 "[ ]" 1
216 1 19 VAL HA 1 19 VAL HB . . 2.900 2.460 2.460 2.460 . 0 0 "[ ]" 1
217 1 19 VAL QG 1 45 CYS HA . . 7.960 2.537 2.537 2.537 . 0 0 "[ ]" 1
218 1 19 VAL QG 1 45 CYS HB2 . . 6.060 3.684 3.684 3.684 . 0 0 "[ ]" 1
219 1 19 VAL QG 1 48 VAL QG . . 8.120 1.905 1.905 1.905 . 0 0 "[ ]" 1
220 1 20 CYS HB3 1 21 PRO QD . . 4.300 3.965 3.965 3.965 . 0 0 "[ ]" 1
221 1 20 CYS HB3 1 23 ASP H . . 3.900 2.939 2.939 2.939 . 0 0 "[ ]" 1
222 1 20 CYS HB3 1 23 ASP HA . . 3.300 2.623 2.623 2.623 . 0 0 "[ ]" 1
223 1 20 CYS SG 1 39 CYS SG . . 6.380 6.046 6.046 6.046 . 0 0 "[ ]" 1
224 1 20 CYS SG 1 42 CYS SG . . 6.380 5.991 5.991 5.991 . 0 0 "[ ]" 1
225 1 20 CYS SG 1 45 CYS SG . . 6.380 6.214 6.214 6.214 . 0 0 "[ ]" 1
226 1 21 PRO HB2 1 42 CYS HB3 . . 5.100 5.008 5.008 5.008 . 0 0 "[ ]" 1
227 1 21 PRO QG 1 42 CYS HB3 . . 4.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
228 1 22 VAL QG 1 39 CYS HA . . 7.260 3.464 3.464 3.464 . 0 0 "[ ]" 1
229 1 23 ASP QB 1 24 CYS HA . . 5.680 4.756 4.756 4.756 . 0 0 "[ ]" 1
230 1 23 ASP QB 1 24 CYS QB . . 6.750 4.932 4.932 4.932 . 0 0 "[ ]" 1
231 1 24 CYS HA 1 26 HIS HD2 . . 4.600 3.942 3.942 3.942 . 0 0 "[ ]" 1
232 1 24 CYS HA 1 35 ASP H . . 6.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
233 1 24 CYS HA 1 35 ASP HB2 . . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
234 1 24 CYS HA 1 35 ASP HB3 . . 6.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
235 1 24 CYS HA 1 38 VAL HB . . 4.100 4.127 4.127 4.127 0.027 1 0 "[ ]" 1
236 1 24 CYS HA 1 38 VAL MG1 . . 7.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
237 1 24 CYS HA 1 38 VAL QG . . 6.620 3.614 3.614 3.614 . 0 0 "[ ]" 1
238 1 24 CYS HA 1 38 VAL MG2 . . 7.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
239 1 24 CYS QB 1 35 ASP H . . 6.880 2.835 2.835 2.835 . 0 0 "[ ]" 1
240 1 24 CYS QB 1 35 ASP HB2 . . 4.550 3.156 3.156 3.156 . 0 0 "[ ]" 1
241 1 24 CYS QB 1 35 ASP HB3 . . 6.880 2.431 2.431 2.431 . 0 0 "[ ]" 1
242 1 24 CYS QB 1 38 VAL HB . . 4.480 2.083 2.083 2.083 . 0 0 "[ ]" 1
243 1 24 CYS QB 1 38 VAL QG . . 6.340 2.124 2.124 2.124 . 0 0 "[ ]" 1
244 1 24 CYS HB2 1 35 ASP HB2 . . 5.400 3.196 3.196 3.196 . 0 0 "[ ]" 1
245 1 24 CYS HB2 1 38 VAL MG1 . . 7.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
246 1 24 CYS HB2 1 38 VAL MG2 . . 7.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
247 1 24 CYS HB3 1 35 ASP HB2 . . 5.400 4.873 4.873 4.873 . 0 0 "[ ]" 1
248 1 24 CYS HB3 1 38 VAL MG1 . . 7.000 2.203 2.203 2.203 . 0 0 "[ ]" 1
249 1 24 CYS HB3 1 38 VAL MG2 . . 7.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
250 1 25 ILE HA 1 26 HIS H . . 2.400 2.155 2.155 2.155 . 0 0 "[ ]" 1
251 1 25 ILE HA 1 26 HIS HB3 . . 5.600 5.499 5.499 5.499 . 0 0 "[ ]" 1
252 1 25 ILE HA 1 26 HIS HD2 . . 6.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
253 1 25 ILE HA 1 33 TYR H . . 4.900 3.876 3.876 3.876 . 0 0 "[ ]" 1
254 1 25 ILE HA 1 34 ILE HA . . 3.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
255 1 25 ILE HA 1 35 ASP H . . 5.300 3.852 3.852 3.852 . 0 0 "[ ]" 1
256 1 25 ILE HA 1 75 PHE HZ . . 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
257 1 25 ILE MG 1 26 HIS H . . 6.500 3.682 3.682 3.682 . 0 0 "[ ]" 1
258 1 25 ILE MG 1 45 CYS HB2 . . 4.300 3.634 3.634 3.634 . 0 0 "[ ]" 1
259 1 26 HIS H 1 26 HIS HB2 . . 3.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
260 1 26 HIS H 1 26 HIS HB3 . . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1
261 1 26 HIS H 1 26 HIS HD2 . . 4.300 3.104 3.104 3.104 . 0 0 "[ ]" 1
262 1 26 HIS H 1 27 GLU H . . 5.300 4.481 4.481 4.481 . 0 0 "[ ]" 1
263 1 26 HIS H 1 33 TYR H . . 2.500 2.507 2.507 2.507 0.007 1 0 "[ ]" 1
264 1 26 HIS H 1 33 TYR HB2 . . 6.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
265 1 26 HIS H 1 33 TYR HB3 . . 6.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
266 1 26 HIS H 1 33 TYR O . . 2.400 1.799 1.799 1.799 . 0 0 "[ ]" 1
267 1 26 HIS H 1 34 ILE H . . 5.800 4.820 4.820 4.820 . 0 0 "[ ]" 1
268 1 26 HIS H 1 34 ILE HA . . 3.600 3.587 3.587 3.587 . 0 0 "[ ]" 1
269 1 26 HIS H 1 35 ASP H . . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
270 1 26 HIS H 1 75 PHE QE . . 8.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
271 1 26 HIS H 1 75 PHE HZ . . 4.100 3.907 3.907 3.907 . 0 0 "[ ]" 1
272 1 26 HIS HA 1 26 HIS HB3 . . 2.900 2.458 2.458 2.458 . 0 0 "[ ]" 1
273 1 26 HIS HA 1 26 HIS HD2 . . 4.500 4.508 4.508 4.508 0.008 1 0 "[ ]" 1
274 1 26 HIS HA 1 27 GLU H . . 2.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
275 1 26 HIS HA 1 27 GLU HG3 . . 4.200 4.193 4.193 4.193 . 0 0 "[ ]" 1
276 1 26 HIS HB2 1 26 HIS HD2 . . 3.500 2.630 2.630 2.630 . 0 0 "[ ]" 1
277 1 26 HIS HB2 1 27 GLU H . . 4.300 4.003 4.003 4.003 . 0 0 "[ ]" 1
278 1 26 HIS HB2 1 33 TYR H . . 6.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
279 1 26 HIS HB2 1 33 TYR HB3 . . 3.200 3.306 3.306 3.306 0.106 1 0 "[ ]" 1
280 1 26 HIS HB2 1 74 PHE QE . . 6.500 5.775 5.775 5.775 . 0 0 "[ ]" 1
281 1 26 HIS HB2 1 75 PHE QE . . 7.700 2.785 2.785 2.785 . 0 0 "[ ]" 1
282 1 26 HIS HB2 1 75 PHE HZ . . 3.600 2.201 2.201 2.201 . 0 0 "[ ]" 1
283 1 26 HIS HB3 1 27 GLU H . . 3.000 3.027 3.027 3.027 0.027 1 0 "[ ]" 1
284 1 26 HIS HB3 1 33 TYR HB3 . . 6.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
285 1 26 HIS HB3 1 74 PHE QE . . 6.400 5.706 5.706 5.706 . 0 0 "[ ]" 1
286 1 26 HIS HB3 1 75 PHE QE . . 6.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
287 1 26 HIS HD2 1 35 ASP H . . 6.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
288 1 26 HIS HD2 1 35 ASP HB2 . . 6.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
289 1 26 HIS HD2 1 35 ASP HB3 . . 4.800 4.455 4.455 4.455 . 0 0 "[ ]" 1
290 1 26 HIS HD2 1 75 PHE HZ . . 2.900 2.822 2.822 2.822 . 0 0 "[ ]" 1
291 1 26 HIS N 1 33 TYR O . . 3.300 2.803 2.803 2.803 . 0 0 "[ ]" 1
292 1 26 HIS O 1 33 TYR H . . 2.400 1.754 1.754 1.754 . 0 0 "[ ]" 1
293 1 26 HIS O 1 33 TYR N . . 3.300 2.614 2.614 2.614 . 0 0 "[ ]" 1
294 1 27 GLU H 1 27 GLU HB2 . . 2.700 2.383 2.383 2.383 . 0 0 "[ ]" 1
295 1 27 GLU H 1 27 GLU HG3 . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
296 1 27 GLU H 1 32 TYR HH . . 6.000 5.334 5.334 5.334 . 0 0 "[ ]" 1
297 1 27 GLU H 1 33 TYR H . . 4.700 4.792 4.792 4.792 0.092 1 0 "[ ]" 1
298 1 27 GLU HA 1 27 GLU HG2 . . 3.100 2.391 2.391 2.391 . 0 0 "[ ]" 1
299 1 27 GLU HA 1 27 GLU HG3 . . 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1
300 1 27 GLU HA 1 28 GLY H . . 2.800 2.112 2.112 2.112 . 0 0 "[ ]" 1
301 1 27 GLU HA 1 32 TYR HH . . 6.000 5.317 5.317 5.317 . 0 0 "[ ]" 1
302 1 27 GLU HB2 1 27 GLU HG3 . . 2.600 2.527 2.527 2.527 . 0 0 "[ ]" 1
303 1 27 GLU HB2 1 28 GLY H . . 4.200 4.158 4.158 4.158 . 0 0 "[ ]" 1
304 1 27 GLU HB2 1 32 TYR HH . . 6.000 4.773 4.773 4.773 . 0 0 "[ ]" 1
305 1 27 GLU HB3 1 27 GLU HG2 . . 2.400 2.404 2.404 2.404 0.004 1 0 "[ ]" 1
306 1 27 GLU HB3 1 28 GLY H . . 4.100 3.014 3.014 3.014 . 0 0 "[ ]" 1
307 1 27 GLU HB3 1 32 TYR HH . . 5.100 5.110 5.110 5.110 0.010 1 0 "[ ]" 1
308 1 27 GLU HG2 1 28 GLY H . . 5.700 3.778 3.778 3.778 . 0 0 "[ ]" 1
309 1 27 GLU HG2 1 32 TYR HH . . 3.900 3.367 3.367 3.367 . 0 0 "[ ]" 1
310 1 27 GLU HG3 1 28 GLY H . . 6.000 4.670 4.670 4.670 . 0 0 "[ ]" 1
311 1 27 GLU HG3 1 29 GLU H . . 6.000 5.082 5.082 5.082 . 0 0 "[ ]" 1
312 1 27 GLU HG3 1 31 GLN H . . 6.000 6.079 6.079 6.079 0.079 1 0 "[ ]" 1
313 1 27 GLU HG3 1 32 TYR HH . . 4.200 2.765 2.765 2.765 . 0 0 "[ ]" 1
314 1 28 GLY H 1 31 GLN H . . 5.700 2.826 2.826 2.826 . 0 0 "[ ]" 1
315 1 28 GLY H 1 33 TYR QD . . 8.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
316 1 28 GLY HA2 1 33 TYR QD . . 6.900 3.719 3.719 3.719 . 0 0 "[ ]" 1
317 1 28 GLY HA2 1 74 PHE QE . . 6.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
318 1 28 GLY HA2 1 74 PHE HZ . . 3.700 3.256 3.256 3.256 . 0 0 "[ ]" 1
319 1 28 GLY HA3 1 29 GLU H . . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
320 1 28 GLY HA3 1 33 TYR QD . . 5.100 2.528 2.528 2.528 . 0 0 "[ ]" 1
321 1 28 GLY HA3 1 33 TYR QE . . 7.600 2.516 2.516 2.516 . 0 0 "[ ]" 1
322 1 28 GLY HA3 1 74 PHE QE . . 6.700 3.761 3.761 3.761 . 0 0 "[ ]" 1
323 1 28 GLY HA3 1 74 PHE HZ . . 4.600 2.978 2.978 2.978 . 0 0 "[ ]" 1
324 1 29 GLU H 1 29 GLU QB . . 3.600 2.985 2.985 2.985 . 0 0 "[ ]" 1
325 1 29 GLU H 1 30 ASP H . . 3.500 3.602 3.602 3.602 0.102 1 0 "[ ]" 1
326 1 29 GLU H 1 31 GLN H . . 5.200 4.086 4.086 4.086 . 0 0 "[ ]" 1
327 1 29 GLU HA 1 29 GLU HG2 . . 4.100 3.208 3.208 3.208 . 0 0 "[ ]" 1
328 1 29 GLU HA 1 29 GLU HG3 . . 4.100 3.771 3.771 3.771 . 0 0 "[ ]" 1
329 1 29 GLU QG 1 30 ASP H . . 6.880 4.216 4.216 4.216 . 0 0 "[ ]" 1
330 1 30 ASP H 1 30 ASP HB2 . . 3.600 2.702 2.702 2.702 . 0 0 "[ ]" 1
331 1 30 ASP H 1 30 ASP QB . . 3.340 2.288 2.288 2.288 . 0 0 "[ ]" 1
332 1 30 ASP H 1 30 ASP HB3 . . 3.600 2.471 2.471 2.471 . 0 0 "[ ]" 1
333 1 30 ASP H 1 31 GLN H . . 3.200 2.570 2.570 2.570 . 0 0 "[ ]" 1
334 1 30 ASP H 1 31 GLN HG2 . . 6.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
335 1 30 ASP H 1 31 GLN HG3 . . 6.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
336 1 31 GLN H 1 31 GLN HB2 . . 3.900 3.818 3.818 3.818 . 0 0 "[ ]" 1
337 1 31 GLN H 1 31 GLN HE21 . . 4.400 4.446 4.446 4.446 0.046 1 0 "[ ]" 1
338 1 31 GLN H 1 31 GLN HG2 . . 5.700 2.972 2.972 2.972 . 0 0 "[ ]" 1
339 1 31 GLN H 1 31 GLN HG3 . . 5.700 2.183 2.183 2.183 . 0 0 "[ ]" 1
340 1 31 GLN HA 1 31 GLN QG . . 3.910 3.368 3.368 3.368 . 0 0 "[ ]" 1
341 1 31 GLN HB2 1 31 GLN HE22 . . 4.100 3.386 3.386 3.386 . 0 0 "[ ]" 1
342 1 31 GLN HE21 1 31 GLN HG2 . . 3.500 3.583 3.583 3.583 0.083 1 0 "[ ]" 1
343 1 31 GLN HE21 1 31 GLN HG3 . . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
344 1 31 GLN QG 1 33 TYR HA . . 6.880 5.583 5.583 5.583 . 0 0 "[ ]" 1
345 1 31 GLN HG2 1 33 TYR QD . . 7.200 4.917 4.917 4.917 . 0 0 "[ ]" 1
346 1 31 GLN HG3 1 33 TYR QD . . 7.200 3.283 3.283 3.283 . 0 0 "[ ]" 1
347 1 32 TYR H 1 32 TYR HB2 . . 3.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
348 1 32 TYR H 1 32 TYR HB3 . . 3.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
349 1 32 TYR HA 1 33 TYR H . . 3.000 2.218 2.218 2.218 . 0 0 "[ ]" 1
350 1 33 TYR H 1 33 TYR HB2 . . 3.100 2.431 2.431 2.431 . 0 0 "[ ]" 1
351 1 33 TYR H 1 33 TYR QE . . 6.600 5.606 5.606 5.606 . 0 0 "[ ]" 1
352 1 33 TYR H 1 34 ILE H . . 4.900 4.203 4.203 4.203 . 0 0 "[ ]" 1
353 1 33 TYR H 1 75 PHE HZ . . 5.300 4.542 4.542 4.542 . 0 0 "[ ]" 1
354 1 33 TYR HA 1 33 TYR HB3 . . 3.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
355 1 33 TYR HA 1 33 TYR QE . . 4.900 4.317 4.317 4.317 . 0 0 "[ ]" 1
356 1 33 TYR HA 1 34 ILE H . . 3.200 2.214 2.214 2.214 . 0 0 "[ ]" 1
357 1 33 TYR HA 1 75 PHE HZ . . 6.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
358 1 33 TYR HB2 1 34 ILE H . . 4.800 4.527 4.527 4.527 . 0 0 "[ ]" 1
359 1 33 TYR HB2 1 75 PHE QE . . 7.400 4.137 4.137 4.137 . 0 0 "[ ]" 1
360 1 33 TYR HB2 1 75 PHE HZ . . 4.100 2.890 2.890 2.890 . 0 0 "[ ]" 1
361 1 33 TYR HB3 1 34 ILE H . . 3.800 3.597 3.597 3.597 . 0 0 "[ ]" 1
362 1 33 TYR HB3 1 74 PHE QD . . 7.800 3.986 3.986 3.986 . 0 0 "[ ]" 1
363 1 33 TYR HB3 1 75 PHE QE . . 6.300 3.075 3.075 3.075 . 0 0 "[ ]" 1
364 1 33 TYR HB3 1 75 PHE HZ . . 4.900 2.201 2.201 2.201 . 0 0 "[ ]" 1
365 1 33 TYR QD 1 70 LYS HB3 . . 8.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
366 1 33 TYR QD 1 70 LYS QE . . 8.700 5.451 5.451 5.451 . 0 0 "[ ]" 1
367 1 33 TYR QD 1 70 LYS HG2 . . 6.600 5.110 5.110 5.110 . 0 0 "[ ]" 1
368 1 33 TYR QD 1 70 LYS HG3 . . 5.900 4.189 4.189 4.189 . 0 0 "[ ]" 1
369 1 33 TYR QD 1 71 ASN H . . 8.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
370 1 33 TYR QD 1 71 ASN HA . . 6.600 2.391 2.391 2.391 . 0 0 "[ ]" 1
371 1 33 TYR QD 1 74 PHE QB . . 8.880 3.836 3.836 3.836 . 0 0 "[ ]" 1
372 1 33 TYR QD 1 74 PHE QD . . 10.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
373 1 33 TYR QD 1 74 PHE QE . . 10.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
374 1 33 TYR QD 1 74 PHE HZ . . 8.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
375 1 33 TYR QE 1 71 ASN H . . 8.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
376 1 33 TYR HH 1 67 TYR QD . . 8.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
377 1 34 ILE H 1 34 ILE HA . . 2.800 2.918 2.918 2.918 0.118 1 0 "[ ]" 1
378 1 34 ILE H 1 34 ILE HB . . 2.800 2.297 2.297 2.297 . 0 0 "[ ]" 1
379 1 34 ILE H 1 71 ASN HB2 . . 6.000 5.341 5.341 5.341 . 0 0 "[ ]" 1
380 1 34 ILE H 1 71 ASN HB3 . . 6.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
381 1 34 ILE H 1 75 PHE QE . . 8.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
382 1 34 ILE H 1 75 PHE HZ . . 6.000 5.108 5.108 5.108 . 0 0 "[ ]" 1
383 1 34 ILE HA 1 35 ASP H . . 2.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
384 1 34 ILE HA 1 75 PHE QE . . 8.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
385 1 34 ILE HB 1 35 ASP H . . 4.500 4.417 4.417 4.417 . 0 0 "[ ]" 1
386 1 34 ILE MD 1 45 CYS HB2 . . 3.900 3.029 3.029 3.029 . 0 0 "[ ]" 1
387 1 34 ILE QG 1 45 CYS HB2 . . 5.050 4.249 4.249 4.249 . 0 0 "[ ]" 1
388 1 34 ILE MG 1 39 CYS HB3 . . 3.840 3.199 3.199 3.199 . 0 0 "[ ]" 1
389 1 35 ASP H 1 35 ASP HB2 . . 2.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
390 1 35 ASP H 1 35 ASP HB3 . . 3.400 2.843 2.843 2.843 . 0 0 "[ ]" 1
391 1 35 ASP H 1 38 VAL QG . . 8.560 4.574 4.574 4.574 . 0 0 "[ ]" 1
392 1 35 ASP H 1 75 PHE QE . . 8.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
393 1 35 ASP H 1 75 PHE HZ . . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
394 1 35 ASP HA 1 36 PRO HD2 . . 3.000 2.161 2.161 2.161 . 0 0 "[ ]" 1
395 1 35 ASP HA 1 36 PRO QD . . 2.720 2.089 2.089 2.089 . 0 0 "[ ]" 1
396 1 35 ASP HA 1 36 PRO HD3 . . 3.000 2.766 2.766 2.766 . 0 0 "[ ]" 1
397 1 35 ASP HA 1 36 PRO HG2 . . 6.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
398 1 35 ASP HA 1 37 ASP H . . 3.700 3.599 3.599 3.599 . 0 0 "[ ]" 1
399 1 35 ASP HA 1 75 PHE QD . . 6.200 2.728 2.728 2.728 . 0 0 "[ ]" 1
400 1 35 ASP HA 1 75 PHE QE . . 6.600 2.487 2.487 2.487 . 0 0 "[ ]" 1
401 1 35 ASP HA 1 75 PHE HZ . . 4.800 4.702 4.702 4.702 . 0 0 "[ ]" 1
402 1 35 ASP HB2 1 38 VAL HB . . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
403 1 35 ASP HB2 1 38 VAL QG . . 6.760 3.320 3.320 3.320 . 0 0 "[ ]" 1
404 1 35 ASP HB2 1 75 PHE QD . . 8.000 3.064 3.064 3.064 . 0 0 "[ ]" 1
405 1 35 ASP HB2 1 75 PHE QE . . 8.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
406 1 35 ASP HB3 1 36 PRO QD . . 6.880 4.207 4.207 4.207 . 0 0 "[ ]" 1
407 1 35 ASP HB3 1 38 VAL H . . 2.400 2.470 2.470 2.470 0.070 1 0 "[ ]" 1
408 1 35 ASP HB3 1 38 VAL HB . . 5.200 2.108 2.108 2.108 . 0 0 "[ ]" 1
409 1 35 ASP HB3 1 38 VAL QG . . 5.560 2.609 2.609 2.609 . 0 0 "[ ]" 1
410 1 35 ASP HB3 1 39 CYS H . . 4.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
411 1 35 ASP HB3 1 75 PHE QD . . 8.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
412 1 35 ASP HB3 1 75 PHE QE . . 7.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
413 1 35 ASP O 1 39 CYS H . . 2.400 1.876 1.876 1.876 . 0 0 "[ ]" 1
414 1 35 ASP O 1 39 CYS N . . 3.300 2.857 2.857 2.857 . 0 0 "[ ]" 1
415 1 36 PRO HA 1 38 VAL H . . 4.400 4.153 4.153 4.153 . 0 0 "[ ]" 1
416 1 36 PRO HA 1 39 CYS HB3 . . 3.400 2.474 2.474 2.474 . 0 0 "[ ]" 1
417 1 36 PRO HA 1 75 PHE QE . . 8.000 6.769 6.769 6.769 . 0 0 "[ ]" 1
418 1 36 PRO HB2 1 37 ASP H . . 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 1
419 1 36 PRO HB2 1 72 ARG QD . . 6.580 5.250 5.250 5.250 . 0 0 "[ ]" 1
420 1 36 PRO HB2 1 72 ARG HE . . 5.500 3.851 3.851 3.851 . 0 0 "[ ]" 1
421 1 36 PRO QD 1 37 ASP H . . 5.260 2.708 2.708 2.708 . 0 0 "[ ]" 1
422 1 36 PRO QD 1 72 ARG HA . . 4.620 2.700 2.700 2.700 . 0 0 "[ ]" 1
423 1 36 PRO QD 1 72 ARG QG . . 7.750 4.525 4.525 4.525 . 0 0 "[ ]" 1
424 1 36 PRO QD 1 75 PHE QD . . 7.610 3.396 3.396 3.396 . 0 0 "[ ]" 1
425 1 36 PRO QD 1 75 PHE QE . . 8.880 3.587 3.587 3.587 . 0 0 "[ ]" 1
426 1 36 PRO QD 1 76 LYS QD . . 6.380 4.866 4.866 4.866 . 0 0 "[ ]" 1
427 1 36 PRO HD2 1 72 ARG HA . . 4.800 2.741 2.741 2.741 . 0 0 "[ ]" 1
428 1 36 PRO HD2 1 75 PHE QD . . 8.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
429 1 36 PRO HD3 1 72 ARG HA . . 4.800 4.048 4.048 4.048 . 0 0 "[ ]" 1
430 1 36 PRO HD3 1 75 PHE QD . . 8.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
431 1 36 PRO HG2 1 37 ASP H . . 4.300 2.598 2.598 2.598 . 0 0 "[ ]" 1
432 1 36 PRO HG2 1 72 ARG HE . . 6.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
433 1 36 PRO HG2 1 72 ARG QG . . 5.680 3.849 3.849 3.849 . 0 0 "[ ]" 1
434 1 36 PRO HG3 1 72 ARG HA . . 5.300 3.326 3.326 3.326 . 0 0 "[ ]" 1
435 1 36 PRO HG3 1 72 ARG QG . . 6.280 4.601 4.601 4.601 . 0 0 "[ ]" 1
436 1 37 ASP H 1 37 ASP QB . . 3.540 2.461 2.461 2.461 . 0 0 "[ ]" 1
437 1 37 ASP H 1 38 VAL H . . 2.600 2.413 2.413 2.413 . 0 0 "[ ]" 1
438 1 37 ASP H 1 38 VAL HA . . 5.100 5.115 5.115 5.115 0.015 1 0 "[ ]" 1
439 1 37 ASP H 1 38 VAL HB . . 5.000 4.809 4.809 4.809 . 0 0 "[ ]" 1
440 1 37 ASP H 1 38 VAL QG . . 7.660 3.878 3.878 3.878 . 0 0 "[ ]" 1
441 1 37 ASP HA 1 37 ASP HB2 . . 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 1
442 1 37 ASP HA 1 37 ASP HB3 . . 3.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
443 1 37 ASP QB 1 38 VAL H . . 4.140 3.173 3.173 3.173 . 0 0 "[ ]" 1
444 1 37 ASP QB 1 38 VAL QG . . 6.210 3.172 3.172 3.172 . 0 0 "[ ]" 1
445 1 37 ASP HB2 1 38 VAL H . . 4.700 3.274 3.274 3.274 . 0 0 "[ ]" 1
446 1 37 ASP HB2 1 38 VAL MG1 . . 8.120 5.737 5.737 5.737 . 0 0 "[ ]" 1
447 1 37 ASP HB2 1 38 VAL MG2 . . 8.120 3.302 3.302 3.302 . 0 0 "[ ]" 1
448 1 37 ASP HB3 1 38 VAL H . . 4.700 4.258 4.258 4.258 . 0 0 "[ ]" 1
449 1 37 ASP HB3 1 38 VAL MG1 . . 8.120 6.295 6.295 6.295 . 0 0 "[ ]" 1
450 1 37 ASP HB3 1 38 VAL MG2 . . 8.120 4.271 4.271 4.271 . 0 0 "[ ]" 1
451 1 38 VAL H 1 38 VAL HB . . 3.200 2.596 2.596 2.596 . 0 0 "[ ]" 1
452 1 38 VAL H 1 38 VAL MG1 . . 4.800 3.869 3.869 3.869 . 0 0 "[ ]" 1
453 1 38 VAL H 1 38 VAL QG . . 3.860 2.485 2.485 2.485 . 0 0 "[ ]" 1
454 1 38 VAL H 1 38 VAL MG2 . . 4.800 2.515 2.515 2.515 . 0 0 "[ ]" 1
455 1 38 VAL H 1 39 CYS H . . 3.300 2.249 2.249 2.249 . 0 0 "[ ]" 1
456 1 38 VAL HA 1 38 VAL MG1 . . 3.500 2.346 2.346 2.346 . 0 0 "[ ]" 1
457 1 38 VAL HA 1 38 VAL MG2 . . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
458 1 38 VAL HB 1 39 CYS H . . 4.300 3.043 3.043 3.043 . 0 0 "[ ]" 1
459 1 38 VAL QG 1 39 CYS H . . 6.430 3.497 3.497 3.497 . 0 0 "[ ]" 1
460 1 38 VAL MG1 1 39 CYS H . . 7.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
461 1 38 VAL MG2 1 39 CYS H . . 7.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
462 1 39 CYS H 1 39 CYS HB3 . . 2.700 2.365 2.365 2.365 . 0 0 "[ ]" 1
463 1 39 CYS SG 1 42 CYS SG . . 6.380 5.720 5.720 5.720 . 0 0 "[ ]" 1
464 1 39 CYS SG 1 45 CYS SG . . 6.380 5.783 5.783 5.783 . 0 0 "[ ]" 1
465 1 40 ILE HA 1 40 ILE MG . . 3.400 2.272 2.272 2.272 . 0 0 "[ ]" 1
466 1 40 ILE HA 1 41 ASP H . . 2.900 2.832 2.832 2.832 . 0 0 "[ ]" 1
467 1 40 ILE HB 1 41 ASP H . . 4.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
468 1 40 ILE HB 1 42 CYS HB3 . . 4.900 4.877 4.877 4.877 . 0 0 "[ ]" 1
469 1 40 ILE QG 1 41 ASP H . . 4.400 3.883 3.883 3.883 . 0 0 "[ ]" 1
470 1 40 ILE QG 1 42 CYS HB3 . . 3.300 2.561 2.561 2.561 . 0 0 "[ ]" 1
471 1 41 ASP H 1 41 ASP HA . . 2.900 2.295 2.295 2.295 . 0 0 "[ ]" 1
472 1 41 ASP H 1 41 ASP HB2 . . 3.600 3.176 3.176 3.176 . 0 0 "[ ]" 1
473 1 41 ASP H 1 41 ASP HB3 . . 4.100 4.046 4.046 4.046 . 0 0 "[ ]" 1
474 1 42 CYS HA 1 42 CYS HB3 . . 2.700 2.624 2.624 2.624 . 0 0 "[ ]" 1
475 1 42 CYS SG 1 45 CYS SG . . 6.380 5.479 5.479 5.479 . 0 0 "[ ]" 1
476 1 45 CYS HA 1 45 CYS HB2 . . 3.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
477 1 45 CYS HA 1 48 VAL QG . . 8.560 3.160 3.160 3.160 . 0 0 "[ ]" 1
478 1 45 CYS HB2 1 46 GLU HA . . 4.900 4.672 4.672 4.672 . 0 0 "[ ]" 1
479 1 45 CYS HB2 1 48 VAL H . . 5.200 5.232 5.232 5.232 0.032 1 0 "[ ]" 1
480 1 45 CYS HB2 1 54 ILE MD . . 4.600 2.470 2.470 2.470 . 0 0 "[ ]" 1
481 1 46 GLU HA 1 54 ILE HB . . 3.300 2.482 2.482 2.482 . 0 0 "[ ]" 1
482 1 47 ALA H 1 47 ALA MB . . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
483 1 47 ALA H 1 48 VAL H . . 3.000 2.689 2.689 2.689 . 0 0 "[ ]" 1
484 1 47 ALA MB 1 48 VAL H . . 4.100 2.753 2.753 2.753 . 0 0 "[ ]" 1
485 1 47 ALA MB 1 48 VAL HA . . 6.700 4.006 4.006 4.006 . 0 0 "[ ]" 1
486 1 47 ALA MB 1 48 VAL QG . . 8.060 3.182 3.182 3.182 . 0 0 "[ ]" 1
487 1 48 VAL H 1 48 VAL HB . . 4.000 2.187 2.187 2.187 . 0 0 "[ ]" 1
488 1 48 VAL H 1 48 VAL MG1 . . 4.400 3.640 3.640 3.640 . 0 0 "[ ]" 1
489 1 48 VAL H 1 48 VAL QG . . 4.010 2.633 2.633 2.633 . 0 0 "[ ]" 1
490 1 48 VAL H 1 48 VAL MG2 . . 4.400 2.702 2.702 2.702 . 0 0 "[ ]" 1
491 1 48 VAL HA 1 48 VAL HB . . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
492 1 49 CYS H 1 49 CYS HB3 . . 2.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
493 1 49 CYS HB3 1 50 PRO QD . . 4.700 4.188 4.188 4.188 . 0 0 "[ ]" 1
494 1 49 CYS HB3 1 51 VAL MG1 . . 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
495 1 49 CYS HB3 1 51 VAL QG . . 4.440 3.337 3.337 3.337 . 0 0 "[ ]" 1
496 1 49 CYS HB3 1 51 VAL MG2 . . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
497 1 49 CYS HB3 1 52 SER HA . . 4.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
498 1 49 CYS HB3 1 53 ALA H . . 3.800 3.440 3.440 3.440 . 0 0 "[ ]" 1
499 1 49 CYS HB3 1 54 ILE H . . 3.800 3.862 3.862 3.862 0.062 1 0 "[ ]" 1
500 1 49 CYS HB3 1 54 ILE HB . . 5.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
501 1 49 CYS HB3 1 54 ILE QG . . 5.000 3.136 3.136 3.136 . 0 0 "[ ]" 1
502 1 52 SER H 1 52 SER QB . . 3.680 3.361 3.361 3.361 . 0 0 "[ ]" 1
503 1 54 ILE HA 1 55 TYR H . . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 1
504 1 55 TYR H 1 55 TYR HB2 . . 3.100 2.541 2.541 2.541 . 0 0 "[ ]" 1
505 1 55 TYR H 1 55 TYR HB3 . . 3.600 3.693 3.693 3.693 0.093 1 0 "[ ]" 1
506 1 55 TYR H 1 55 TYR QE . . 7.000 5.093 5.093 5.093 . 0 0 "[ ]" 1
507 1 55 TYR H 1 56 HIS H . . 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
508 1 55 TYR H 1 60 VAL QG . . 8.400 2.981 2.981 2.981 . 0 0 "[ ]" 1
509 1 55 TYR HB2 1 56 HIS H . . 3.600 3.644 3.644 3.644 0.044 1 0 "[ ]" 1
510 1 55 TYR HB2 1 59 PHE HB2 . . 5.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
511 1 55 TYR HB2 1 60 VAL HA . . 4.800 3.499 3.499 3.499 . 0 0 "[ ]" 1
512 1 55 TYR HB2 1 60 VAL QG . . 6.600 2.106 2.106 2.106 . 0 0 "[ ]" 1
513 1 55 TYR HB3 1 56 HIS H . . 3.200 2.321 2.321 2.321 . 0 0 "[ ]" 1
514 1 55 TYR HB3 1 59 PHE H . . 4.200 4.287 4.287 4.287 0.087 1 0 "[ ]" 1
515 1 55 TYR HB3 1 60 VAL QG . . 6.900 2.974 2.974 2.974 . 0 0 "[ ]" 1
516 1 55 TYR QD 1 56 HIS H . . 8.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
517 1 55 TYR QD 1 59 PHE HB2 . . 8.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
518 1 55 TYR QD 1 59 PHE HB3 . . 7.900 4.273 4.273 4.273 . 0 0 "[ ]" 1
519 1 55 TYR QD 1 61 PRO HD2 . . 8.000 5.053 5.053 5.053 . 0 0 "[ ]" 1
520 1 55 TYR QE 1 64 TRP HE3 . . 7.000 6.096 6.096 6.096 . 0 0 "[ ]" 1
521 1 55 TYR QE 1 64 TRP HZ3 . . 6.700 4.867 4.867 4.867 . 0 0 "[ ]" 1
522 1 56 HIS H 1 56 HIS HB2 . . 2.800 2.332 2.332 2.332 . 0 0 "[ ]" 1
523 1 56 HIS H 1 56 HIS HB3 . . 3.500 2.793 2.793 2.793 . 0 0 "[ ]" 1
524 1 56 HIS H 1 56 HIS HD2 . . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
525 1 56 HIS H 1 59 PHE H . . 5.500 4.005 4.005 4.005 . 0 0 "[ ]" 1
526 1 56 HIS H 1 59 PHE HB2 . . 3.300 2.545 2.545 2.545 . 0 0 "[ ]" 1
527 1 56 HIS H 1 59 PHE HB3 . . 3.900 3.843 3.843 3.843 . 0 0 "[ ]" 1
528 1 56 HIS H 1 59 PHE QR . . 8.400 2.686 2.686 2.686 . 0 0 "[ ]" 1
529 1 56 HIS H 1 60 VAL QG . . 8.400 4.057 4.057 4.057 . 0 0 "[ ]" 1
530 1 56 HIS HA 1 56 HIS HB2 . . 2.900 2.657 2.657 2.657 . 0 0 "[ ]" 1
531 1 56 HIS HA 1 56 HIS HB3 . . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 1
532 1 56 HIS HA 1 56 HIS HD2 . . 3.900 2.564 2.564 2.564 . 0 0 "[ ]" 1
533 1 56 HIS HA 1 57 GLU H . . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
534 1 56 HIS HA 1 57 GLU QB . . 6.080 4.332 4.332 4.332 . 0 0 "[ ]" 1
535 1 56 HIS HA 1 58 ASP H . . 4.200 4.219 4.219 4.219 0.019 1 0 "[ ]" 1
536 1 56 HIS HA 1 59 PHE H . . 6.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
537 1 56 HIS HB2 1 56 HIS HD2 . . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
538 1 56 HIS HB2 1 57 GLU H . . 5.100 4.306 4.306 4.306 . 0 0 "[ ]" 1
539 1 56 HIS HB2 1 58 ASP H . . 4.700 4.695 4.695 4.695 . 0 0 "[ ]" 1
540 1 56 HIS HB2 1 59 PHE H . . 4.000 4.061 4.061 4.061 0.061 1 0 "[ ]" 1
541 1 56 HIS HB2 1 59 PHE HB2 . . 5.600 3.584 3.584 3.584 . 0 0 "[ ]" 1
542 1 56 HIS HB2 1 59 PHE QR . . 8.400 3.011 3.011 3.011 . 0 0 "[ ]" 1
543 1 56 HIS HB3 1 57 GLU H . . 5.300 3.818 3.818 3.818 . 0 0 "[ ]" 1
544 1 56 HIS HB3 1 58 ASP H . . 3.300 3.312 3.312 3.312 0.012 1 0 "[ ]" 1
545 1 56 HIS HB3 1 59 PHE H . . 3.300 2.386 2.386 2.386 . 0 0 "[ ]" 1
546 1 56 HIS HB3 1 59 PHE HB2 . . 4.700 2.635 2.635 2.635 . 0 0 "[ ]" 1
547 1 56 HIS HB3 1 59 PHE HB3 . . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
548 1 56 HIS HB3 1 59 PHE QR . . 7.800 2.954 2.954 2.954 . 0 0 "[ ]" 1
549 1 56 HIS HD2 1 57 GLU H . . 6.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
550 1 56 HIS O 1 60 VAL H . . 2.400 1.945 1.945 1.945 . 0 0 "[ ]" 1
551 1 56 HIS O 1 60 VAL N . . 3.300 2.903 2.903 2.903 . 0 0 "[ ]" 1
552 1 57 GLU H 1 57 GLU HA . . 2.900 2.718 2.718 2.718 . 0 0 "[ ]" 1
553 1 57 GLU H 1 57 GLU HB2 . . 3.400 3.499 3.499 3.499 0.099 1 0 "[ ]" 1
554 1 57 GLU H 1 57 GLU QB . . 3.040 2.320 2.320 2.320 . 0 0 "[ ]" 1
555 1 57 GLU H 1 57 GLU HB3 . . 3.400 2.354 2.354 2.354 . 0 0 "[ ]" 1
556 1 57 GLU H 1 57 GLU HG2 . . 4.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
557 1 57 GLU H 1 57 GLU QG . . 3.970 2.123 2.123 2.123 . 0 0 "[ ]" 1
558 1 57 GLU H 1 57 GLU HG3 . . 4.700 3.563 3.563 3.563 . 0 0 "[ ]" 1
559 1 57 GLU H 1 58 ASP H . . 2.900 2.865 2.865 2.865 . 0 0 "[ ]" 1
560 1 57 GLU H 1 58 ASP QB . . 6.180 4.636 4.636 4.636 . 0 0 "[ ]" 1
561 1 57 GLU H 1 59 PHE H . . 4.700 4.111 4.111 4.111 . 0 0 "[ ]" 1
562 1 57 GLU H 1 60 VAL QG . . 8.400 4.454 4.454 4.454 . 0 0 "[ ]" 1
563 1 57 GLU HA 1 57 GLU QG . . 3.510 3.285 3.285 3.285 . 0 0 "[ ]" 1
564 1 57 GLU HA 1 59 PHE H . . 3.700 3.880 3.880 3.880 0.180 1 0 "[ ]" 1
565 1 57 GLU HA 1 60 VAL H . . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1
566 1 57 GLU HA 1 60 VAL HB . . 3.100 3.073 3.073 3.073 . 0 0 "[ ]" 1
567 1 57 GLU HA 1 60 VAL QG . . 5.400 3.071 3.071 3.071 . 0 0 "[ ]" 1
568 1 57 GLU HA 1 68 ILE MD . . 4.300 2.832 2.832 2.832 . 0 0 "[ ]" 1
569 1 57 GLU HA 1 68 ILE HG12 . . 5.100 2.469 2.469 2.469 . 0 0 "[ ]" 1
570 1 57 GLU HA 1 68 ILE HG13 . . 5.100 2.496 2.496 2.496 . 0 0 "[ ]" 1
571 1 57 GLU HA 1 68 ILE MG . . 4.800 3.665 3.665 3.665 . 0 0 "[ ]" 1
572 1 57 GLU QB 1 57 GLU QG . . 2.480 2.037 2.037 2.037 . 0 0 "[ ]" 1
573 1 57 GLU QB 1 58 ASP H . . 3.720 3.378 3.378 3.378 . 0 0 "[ ]" 1
574 1 57 GLU QB 1 68 ILE QG . . 4.870 2.231 2.231 2.231 . 0 0 "[ ]" 1
575 1 57 GLU QB 1 68 ILE MG . . 6.880 2.137 2.137 2.137 . 0 0 "[ ]" 1
576 1 57 GLU HB2 1 58 ASP H . . 4.200 3.699 3.699 3.699 . 0 0 "[ ]" 1
577 1 57 GLU HB2 1 68 ILE HG12 . . 5.650 2.740 2.740 2.740 . 0 0 "[ ]" 1
578 1 57 GLU HB2 1 68 ILE HG13 . . 5.650 2.557 2.557 2.557 . 0 0 "[ ]" 1
579 1 57 GLU HB3 1 58 ASP H . . 4.200 3.904 3.904 3.904 . 0 0 "[ ]" 1
580 1 57 GLU HB3 1 68 ILE HG12 . . 5.650 3.780 3.780 3.780 . 0 0 "[ ]" 1
581 1 57 GLU HB3 1 68 ILE HG13 . . 5.650 2.861 2.861 2.861 . 0 0 "[ ]" 1
582 1 57 GLU QG 1 58 ASP H . . 5.280 2.039 2.039 2.039 . 0 0 "[ ]" 1
583 1 57 GLU QG 1 68 ILE QG . . 5.950 3.880 3.880 3.880 . 0 0 "[ ]" 1
584 1 57 GLU QG 1 68 ILE MG . . 6.080 3.518 3.518 3.518 . 0 0 "[ ]" 1
585 1 58 ASP H 1 58 ASP HB2 . . 3.400 2.547 2.547 2.547 . 0 0 "[ ]" 1
586 1 58 ASP H 1 58 ASP QB . . 2.990 2.303 2.303 2.303 . 0 0 "[ ]" 1
587 1 58 ASP H 1 58 ASP HB3 . . 3.400 2.627 2.627 2.627 . 0 0 "[ ]" 1
588 1 58 ASP H 1 59 PHE H . . 2.800 2.737 2.737 2.737 . 0 0 "[ ]" 1
589 1 58 ASP H 1 59 PHE HB2 . . 5.600 4.813 4.813 4.813 . 0 0 "[ ]" 1
590 1 58 ASP H 1 60 VAL H . . 4.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
591 1 58 ASP H 1 60 VAL QG . . 8.400 5.026 5.026 5.026 . 0 0 "[ ]" 1
592 1 58 ASP HA 1 58 ASP HB2 . . 3.000 2.496 2.496 2.496 . 0 0 "[ ]" 1
593 1 58 ASP HA 1 58 ASP QB . . 2.720 2.384 2.384 2.384 . 0 0 "[ ]" 1
594 1 58 ASP HA 1 58 ASP HB3 . . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1
595 1 58 ASP HA 1 59 PHE H . . 3.400 3.521 3.521 3.521 0.121 1 0 "[ ]" 1
596 1 58 ASP HA 1 60 VAL H . . 4.800 4.600 4.600 4.600 . 0 0 "[ ]" 1
597 1 58 ASP QB 1 59 PHE QR . . 9.280 2.516 2.516 2.516 . 0 0 "[ ]" 1
598 1 58 ASP HB2 1 59 PHE H . . 5.100 4.080 4.080 4.080 . 0 0 "[ ]" 1
599 1 58 ASP HB3 1 59 PHE H . . 5.100 2.900 2.900 2.900 . 0 0 "[ ]" 1
600 1 59 PHE H 1 59 PHE HB2 . . 2.900 2.317 2.317 2.317 . 0 0 "[ ]" 1
601 1 59 PHE H 1 59 PHE HB3 . . 3.400 3.529 3.529 3.529 0.129 1 0 "[ ]" 1
602 1 59 PHE H 1 60 VAL H . . 2.500 2.273 2.273 2.273 . 0 0 "[ ]" 1
603 1 59 PHE H 1 60 VAL HB . . 4.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
604 1 59 PHE H 1 60 VAL QG . . 7.200 3.820 3.820 3.820 . 0 0 "[ ]" 1
605 1 59 PHE HA 1 59 PHE HB3 . . 3.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
606 1 59 PHE HA 1 60 VAL H . . 3.600 3.559 3.559 3.559 . 0 0 "[ ]" 1
607 1 59 PHE HB2 1 60 VAL H . . 4.500 2.739 2.739 2.739 . 0 0 "[ ]" 1
608 1 59 PHE HB3 1 60 VAL H . . 4.800 3.648 3.648 3.648 . 0 0 "[ ]" 1
609 1 60 VAL H 1 60 VAL HB . . 2.600 2.377 2.377 2.377 . 0 0 "[ ]" 1
610 1 60 VAL H 1 61 PRO HD3 . . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
611 1 60 VAL H 1 68 ILE QG . . 6.880 4.395 4.395 4.395 . 0 0 "[ ]" 1
612 1 60 VAL HA 1 61 PRO HD2 . . 3.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
613 1 60 VAL HA 1 61 PRO HD3 . . 2.400 2.129 2.129 2.129 . 0 0 "[ ]" 1
614 1 60 VAL HA 1 64 TRP HB3 . . 5.600 5.202 5.202 5.202 . 0 0 "[ ]" 1
615 1 60 VAL HB 1 65 LYS HA . . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
616 1 60 VAL HB 1 68 ILE HG12 . . 4.000 2.955 2.955 2.955 . 0 0 "[ ]" 1
617 1 60 VAL HB 1 68 ILE QG . . 3.650 2.884 2.884 2.884 . 0 0 "[ ]" 1
618 1 60 VAL HB 1 68 ILE HG13 . . 4.000 4.027 4.027 4.027 0.027 1 0 "[ ]" 1
619 1 60 VAL QG 1 61 PRO HD2 . . 6.100 2.376 2.376 2.376 . 0 0 "[ ]" 1
620 1 60 VAL QG 1 61 PRO HD3 . . 7.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
621 1 60 VAL QG 1 64 TRP H . . 8.400 3.457 3.457 3.457 . 0 0 "[ ]" 1
622 1 60 VAL QG 1 64 TRP HA . . 8.400 3.787 3.787 3.787 . 0 0 "[ ]" 1
623 1 60 VAL QG 1 64 TRP HB2 . . 6.900 2.156 2.156 2.156 . 0 0 "[ ]" 1
624 1 60 VAL QG 1 64 TRP HB3 . . 7.400 2.312 2.312 2.312 . 0 0 "[ ]" 1
625 1 60 VAL QG 1 64 TRP HE3 . . 8.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
626 1 60 VAL QG 1 65 LYS H . . 7.900 3.130 3.130 3.130 . 0 0 "[ ]" 1
627 1 60 VAL QG 1 65 LYS HA . . 5.100 2.792 2.792 2.792 . 0 0 "[ ]" 1
628 1 60 VAL QG 1 67 TYR H . . 8.400 4.040 4.040 4.040 . 0 0 "[ ]" 1
629 1 60 VAL QG 1 67 TYR QD . . 10.400 3.737 3.737 3.737 . 0 0 "[ ]" 1
630 1 60 VAL QG 1 68 ILE H . . 7.700 3.829 3.829 3.829 . 0 0 "[ ]" 1
631 1 60 VAL QG 1 68 ILE MD . . 8.200 1.818 1.818 1.818 . 0 0 "[ ]" 1
632 1 61 PRO HA 1 62 GLU H . . 2.400 2.308 2.308 2.308 . 0 0 "[ ]" 1
633 1 61 PRO HA 1 63 GLU H . . 5.400 4.431 4.431 4.431 . 0 0 "[ ]" 1
634 1 61 PRO HB2 1 62 GLU H . . 3.900 3.791 3.791 3.791 . 0 0 "[ ]" 1
635 1 61 PRO HB2 1 63 GLU H . . 3.600 3.250 3.250 3.250 . 0 0 "[ ]" 1
636 1 61 PRO HB2 1 64 TRP H . . 3.600 2.952 2.952 2.952 . 0 0 "[ ]" 1
637 1 61 PRO HB2 1 64 TRP HB2 . . 6.000 3.284 3.284 3.284 . 0 0 "[ ]" 1
638 1 61 PRO HB2 1 64 TRP HB3 . . 6.000 5.028 5.028 5.028 . 0 0 "[ ]" 1
639 1 61 PRO HB2 1 64 TRP HE3 . . 4.600 4.383 4.383 4.383 . 0 0 "[ ]" 1
640 1 61 PRO HB3 1 62 GLU H . . 3.600 3.271 3.271 3.271 . 0 0 "[ ]" 1
641 1 61 PRO HB3 1 63 GLU H . . 5.200 3.637 3.637 3.637 . 0 0 "[ ]" 1
642 1 61 PRO HB3 1 64 TRP HE3 . . 6.000 5.836 5.836 5.836 . 0 0 "[ ]" 1
643 1 61 PRO HD2 1 64 TRP HB2 . . 3.700 2.860 2.860 2.860 . 0 0 "[ ]" 1
644 1 61 PRO HD2 1 64 TRP HB3 . . 4.100 4.112 4.112 4.112 0.012 1 0 "[ ]" 1
645 1 61 PRO HD2 1 64 TRP HE3 . . 4.000 2.522 2.522 2.522 . 0 0 "[ ]" 1
646 1 61 PRO HD3 1 64 TRP HE3 . . 6.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
647 1 61 PRO QG 1 64 TRP H . . 6.880 4.755 4.755 4.755 . 0 0 "[ ]" 1
648 1 61 PRO QG 1 64 TRP HE3 . . 5.080 3.717 3.717 3.717 . 0 0 "[ ]" 1
649 1 61 PRO QG 1 64 TRP HZ3 . . 6.880 4.475 4.475 4.475 . 0 0 "[ ]" 1
650 1 61 PRO O 1 64 TRP H . . 2.400 1.863 1.863 1.863 . 0 0 "[ ]" 1
651 1 61 PRO O 1 64 TRP N . . 3.300 2.677 2.677 2.677 . 0 0 "[ ]" 1
652 1 62 GLU H 1 62 GLU HA . . 2.900 2.656 2.656 2.656 . 0 0 "[ ]" 1
653 1 62 GLU H 1 62 GLU HB2 . . 2.800 1.988 1.988 1.988 . 0 0 "[ ]" 1
654 1 62 GLU H 1 62 GLU HB3 . . 3.000 3.248 3.248 3.248 0.248 1 0 "[ ]" 1
655 1 62 GLU H 1 63 GLU H . . 3.900 3.137 3.137 3.137 . 0 0 "[ ]" 1
656 1 62 GLU HA 1 65 LYS H . . 3.100 2.854 2.854 2.854 . 0 0 "[ ]" 1
657 1 62 GLU HA 1 65 LYS HB2 . . 2.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
658 1 62 GLU HA 1 65 LYS HB3 . . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
659 1 62 GLU HA 1 65 LYS QD . . 5.400 3.997 3.997 3.997 . 0 0 "[ ]" 1
660 1 62 GLU HA 1 65 LYS QE . . 5.900 4.289 4.289 4.289 . 0 0 "[ ]" 1
661 1 62 GLU HA 1 65 LYS QG . . 6.100 1.947 1.947 1.947 . 0 0 "[ ]" 1
662 1 62 GLU HB2 1 63 GLU H . . 4.200 2.800 2.800 2.800 . 0 0 "[ ]" 1
663 1 62 GLU HB2 1 65 LYS QD . . 7.000 6.311 6.311 6.311 . 0 0 "[ ]" 1
664 1 62 GLU HB3 1 63 GLU H . . 3.200 3.209 3.209 3.209 0.009 1 0 "[ ]" 1
665 1 62 GLU HB3 1 65 LYS QG . . 5.700 4.104 4.104 4.104 . 0 0 "[ ]" 1
666 1 62 GLU QG 1 65 LYS HB2 . . 5.480 3.982 3.982 3.982 . 0 0 "[ ]" 1
667 1 62 GLU QG 1 65 LYS HB3 . . 6.880 4.731 4.731 4.731 . 0 0 "[ ]" 1
668 1 62 GLU HG2 1 63 GLU H . . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 1
669 1 62 GLU HG3 1 63 GLU H . . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 1
670 1 62 GLU O 1 65 LYS H . . 2.400 2.274 2.274 2.274 . 0 0 "[ ]" 1
671 1 62 GLU O 1 65 LYS N . . 3.300 3.112 3.112 3.112 . 0 0 "[ ]" 1
672 1 63 GLU H 1 63 GLU HB2 . . 2.800 2.665 2.665 2.665 . 0 0 "[ ]" 1
673 1 63 GLU H 1 63 GLU HB3 . . 3.900 3.577 3.577 3.577 . 0 0 "[ ]" 1
674 1 63 GLU H 1 64 TRP H . . 3.100 2.788 2.788 2.788 . 0 0 "[ ]" 1
675 1 63 GLU H 1 65 LYS H . . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 1
676 1 63 GLU HA 1 63 GLU HB2 . . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1
677 1 63 GLU HA 1 65 LYS H . . 4.800 4.438 4.438 4.438 . 0 0 "[ ]" 1
678 1 63 GLU HB2 1 64 TRP H . . 4.200 2.597 2.597 2.597 . 0 0 "[ ]" 1
679 1 63 GLU HB2 1 64 TRP HA . . 5.300 4.406 4.406 4.406 . 0 0 "[ ]" 1
680 1 63 GLU HB2 1 64 TRP HE3 . . 6.000 5.624 5.624 5.624 . 0 0 "[ ]" 1
681 1 63 GLU HB3 1 64 TRP H . . 4.800 3.748 3.748 3.748 . 0 0 "[ ]" 1
682 1 63 GLU HB3 1 64 TRP HE1 . . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
683 1 63 GLU QG 1 64 TRP H . . 7.000 4.318 4.318 4.318 . 0 0 "[ ]" 1
684 1 63 GLU QG 1 64 TRP HD1 . . 7.000 5.278 5.278 5.278 . 0 0 "[ ]" 1
685 1 63 GLU QG 1 64 TRP HE1 . . 7.000 5.819 5.819 5.819 . 0 0 "[ ]" 1
686 1 64 TRP H 1 64 TRP HB2 . . 3.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
687 1 64 TRP H 1 64 TRP HB3 . . 3.600 3.590 3.590 3.590 . 0 0 "[ ]" 1
688 1 64 TRP H 1 64 TRP HE3 . . 5.600 4.953 4.953 4.953 . 0 0 "[ ]" 1
689 1 64 TRP H 1 65 LYS H . . 2.900 2.411 2.411 2.411 . 0 0 "[ ]" 1
690 1 64 TRP HA 1 64 TRP HB2 . . 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 1
691 1 64 TRP HA 1 64 TRP HB3 . . 2.700 2.536 2.536 2.536 . 0 0 "[ ]" 1
692 1 64 TRP HA 1 64 TRP HD1 . . 2.400 2.258 2.258 2.258 . 0 0 "[ ]" 1
693 1 64 TRP HA 1 64 TRP HE1 . . 5.300 4.740 4.740 4.740 . 0 0 "[ ]" 1
694 1 64 TRP HA 1 65 LYS H . . 3.500 3.468 3.468 3.468 . 0 0 "[ ]" 1
695 1 64 TRP HA 1 67 TYR H . . 3.900 3.048 3.048 3.048 . 0 0 "[ ]" 1
696 1 64 TRP HA 1 67 TYR HB2 . . 4.400 4.109 4.109 4.109 . 0 0 "[ ]" 1
697 1 64 TRP HA 1 67 TYR QD . . 5.500 2.389 2.389 2.389 . 0 0 "[ ]" 1
698 1 64 TRP HA 1 67 TYR QE . . 7.100 3.464 3.464 3.464 . 0 0 "[ ]" 1
699 1 64 TRP HB2 1 64 TRP HD1 . . 3.800 3.751 3.751 3.751 . 0 0 "[ ]" 1
700 1 64 TRP HB2 1 64 TRP HE3 . . 2.900 2.852 2.852 2.852 . 0 0 "[ ]" 1
701 1 64 TRP HB2 1 65 LYS H . . 4.400 3.626 3.626 3.626 . 0 0 "[ ]" 1
702 1 64 TRP HB2 1 67 TYR QD . . 6.600 3.960 3.960 3.960 . 0 0 "[ ]" 1
703 1 64 TRP HB2 1 67 TYR QE . . 7.600 5.179 5.179 5.179 . 0 0 "[ ]" 1
704 1 64 TRP HB3 1 64 TRP HD1 . . 3.600 3.521 3.521 3.521 . 0 0 "[ ]" 1
705 1 64 TRP HB3 1 64 TRP HE3 . . 3.700 3.163 3.163 3.163 . 0 0 "[ ]" 1
706 1 64 TRP HB3 1 65 LYS H . . 5.100 4.290 4.290 4.290 . 0 0 "[ ]" 1
707 1 64 TRP HB3 1 67 TYR H . . 4.900 4.020 4.020 4.020 . 0 0 "[ ]" 1
708 1 64 TRP HB3 1 67 TYR QD . . 5.300 2.397 2.397 2.397 . 0 0 "[ ]" 1
709 1 64 TRP HB3 1 67 TYR QE . . 7.200 4.000 4.000 4.000 . 0 0 "[ ]" 1
710 1 64 TRP HD1 1 67 TYR QD . . 6.300 3.392 3.392 3.392 . 0 0 "[ ]" 1
711 1 64 TRP HD1 1 67 TYR QE . . 6.600 2.723 2.723 2.723 . 0 0 "[ ]" 1
712 1 64 TRP HE1 1 67 TYR QD . . 8.000 5.052 5.052 5.052 . 0 0 "[ ]" 1
713 1 64 TRP HE1 1 67 TYR QE . . 8.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
714 1 65 LYS H 1 65 LYS HB2 . . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
715 1 65 LYS H 1 65 LYS HB3 . . 3.200 3.401 3.401 3.401 0.201 1 0 "[ ]" 1
716 1 65 LYS H 1 65 LYS QD . . 5.100 3.814 3.814 3.814 . 0 0 "[ ]" 1
717 1 65 LYS HA 1 65 LYS HB3 . . 2.800 2.600 2.600 2.600 . 0 0 "[ ]" 1
718 1 65 LYS HA 1 65 LYS QD . . 5.100 2.306 2.306 2.306 . 0 0 "[ ]" 1
719 1 65 LYS HA 1 68 ILE H . . 3.800 2.889 2.889 2.889 . 0 0 "[ ]" 1
720 1 65 LYS HA 1 68 ILE HB . . 2.800 2.556 2.556 2.556 . 0 0 "[ ]" 1
721 1 65 LYS HA 1 68 ILE MD . . 7.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
722 1 65 LYS HA 1 68 ILE HG12 . . 4.700 3.205 3.205 3.205 . 0 0 "[ ]" 1
723 1 65 LYS HA 1 68 ILE QG . . 4.230 3.147 3.147 3.147 . 0 0 "[ ]" 1
724 1 65 LYS HA 1 68 ILE HG13 . . 4.700 4.589 4.589 4.589 . 0 0 "[ ]" 1
725 1 65 LYS QD 1 68 ILE MG . . 8.000 3.201 3.201 3.201 . 0 0 "[ ]" 1
726 1 65 LYS QG 1 68 ILE HB . . 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
727 1 65 LYS QG 1 68 ILE MD . . 7.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
728 1 66 SER HA 1 66 SER HB2 . . 2.900 2.990 2.990 2.990 0.090 1 0 "[ ]" 1
729 1 66 SER HA 1 66 SER QB . . 2.660 2.251 2.251 2.251 . 0 0 "[ ]" 1
730 1 66 SER HA 1 66 SER HB3 . . 2.900 2.328 2.328 2.328 . 0 0 "[ ]" 1
731 1 66 SER HA 1 68 ILE H . . 4.300 4.318 4.318 4.318 0.018 1 0 "[ ]" 1
732 1 66 SER HA 1 69 GLN H . . 5.700 3.651 3.651 3.651 . 0 0 "[ ]" 1
733 1 66 SER HA 1 70 LYS H . . 5.700 4.206 4.206 4.206 . 0 0 "[ ]" 1
734 1 66 SER O 1 70 LYS H . . 2.400 1.919 1.919 1.919 . 0 0 "[ ]" 1
735 1 66 SER O 1 70 LYS N . . 3.300 2.885 2.885 2.885 . 0 0 "[ ]" 1
736 1 67 TYR H 1 67 TYR HB2 . . 2.700 2.450 2.450 2.450 . 0 0 "[ ]" 1
737 1 67 TYR H 1 67 TYR QE . . 6.700 4.647 4.647 4.647 . 0 0 "[ ]" 1
738 1 67 TYR H 1 68 ILE H . . 3.300 2.658 2.658 2.658 . 0 0 "[ ]" 1
739 1 67 TYR H 1 68 ILE MG . . 7.000 5.729 5.729 5.729 . 0 0 "[ ]" 1
740 1 67 TYR HA 1 67 TYR HB2 . . 3.000 3.029 3.029 3.029 0.029 1 0 "[ ]" 1
741 1 67 TYR HA 1 69 GLN H . . 4.600 4.454 4.454 4.454 . 0 0 "[ ]" 1
742 1 67 TYR HA 1 70 LYS H . . 3.200 3.000 3.000 3.000 . 0 0 "[ ]" 1
743 1 67 TYR HA 1 70 LYS HB2 . . 2.900 2.933 2.933 2.933 0.033 1 0 "[ ]" 1
744 1 67 TYR HA 1 70 LYS HB3 . . 2.600 2.373 2.373 2.373 . 0 0 "[ ]" 1
745 1 67 TYR HA 1 71 ASN H . . 3.700 3.588 3.588 3.588 . 0 0 "[ ]" 1
746 1 67 TYR HB2 1 68 ILE H . . 4.200 3.076 3.076 3.076 . 0 0 "[ ]" 1
747 1 67 TYR HB2 1 71 ASN QD . . 6.800 3.744 3.744 3.744 . 0 0 "[ ]" 1
748 1 67 TYR HB3 1 68 ILE H . . 4.900 3.864 3.864 3.864 . 0 0 "[ ]" 1
749 1 67 TYR HB3 1 71 ASN H . . 4.100 4.228 4.228 4.228 0.128 1 0 "[ ]" 1
750 1 67 TYR HB3 1 71 ASN QD . . 6.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
751 1 67 TYR QD 1 68 ILE H . . 8.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
752 1 67 TYR QD 1 70 LYS HB2 . . 8.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
753 1 67 TYR QD 1 70 LYS HB3 . . 8.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
754 1 67 TYR QD 1 70 LYS HG2 . . 6.300 3.992 3.992 3.992 . 0 0 "[ ]" 1
755 1 67 TYR QD 1 70 LYS HG3 . . 8.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
756 1 67 TYR QD 1 71 ASN H . . 6.800 4.951 4.951 4.951 . 0 0 "[ ]" 1
757 1 67 TYR QD 1 71 ASN QD . . 8.400 3.281 3.281 3.281 . 0 0 "[ ]" 1
758 1 67 TYR O 1 71 ASN H . . 2.400 1.746 1.746 1.746 . 0 0 "[ ]" 1
759 1 67 TYR O 1 71 ASN N . . 3.300 2.745 2.745 2.745 . 0 0 "[ ]" 1
760 1 68 ILE H 1 68 ILE HB . . 2.600 2.162 2.162 2.162 . 0 0 "[ ]" 1
761 1 68 ILE H 1 68 ILE MD . . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
762 1 68 ILE H 1 68 ILE HG12 . . 4.200 3.717 3.717 3.717 . 0 0 "[ ]" 1
763 1 68 ILE H 1 68 ILE QG . . 3.770 3.406 3.406 3.406 . 0 0 "[ ]" 1
764 1 68 ILE H 1 68 ILE HG13 . . 4.200 3.953 3.953 3.953 . 0 0 "[ ]" 1
765 1 68 ILE H 1 68 ILE MG . . 4.200 3.581 3.581 3.581 . 0 0 "[ ]" 1
766 1 68 ILE H 1 69 GLN H . . 3.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
767 1 68 ILE H 1 70 LYS H . . 4.700 3.916 3.916 3.916 . 0 0 "[ ]" 1
768 1 68 ILE HA 1 68 ILE HG12 . . 3.900 3.678 3.678 3.678 . 0 0 "[ ]" 1
769 1 68 ILE HA 1 68 ILE QG . . 3.700 2.536 2.536 2.536 . 0 0 "[ ]" 1
770 1 68 ILE HA 1 68 ILE HG13 . . 3.900 2.584 2.584 2.584 . 0 0 "[ ]" 1
771 1 68 ILE HA 1 68 ILE MG . . 3.400 2.628 2.628 2.628 . 0 0 "[ ]" 1
772 1 68 ILE HA 1 71 ASN H . . 4.300 3.504 3.504 3.504 . 0 0 "[ ]" 1
773 1 68 ILE HA 1 71 ASN HB2 . . 2.900 2.504 2.504 2.504 . 0 0 "[ ]" 1
774 1 68 ILE HA 1 71 ASN HB3 . . 4.000 4.028 4.028 4.028 0.028 1 0 "[ ]" 1
775 1 68 ILE HA 1 71 ASN QD . . 7.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
776 1 68 ILE HB 1 68 ILE MD . . 3.400 2.554 2.554 2.554 . 0 0 "[ ]" 1
777 1 68 ILE HB 1 68 ILE HG12 . . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
778 1 68 ILE HB 1 68 ILE HG13 . . 3.000 3.012 3.012 3.012 0.012 1 0 "[ ]" 1
779 1 68 ILE HB 1 69 GLN H . . 2.900 2.652 2.652 2.652 . 0 0 "[ ]" 1
780 1 68 ILE HG12 1 68 ILE MG . . 3.700 2.366 2.366 2.366 . 0 0 "[ ]" 1
781 1 68 ILE HG12 1 69 GLN H . . 6.000 4.923 4.923 4.923 . 0 0 "[ ]" 1
782 1 68 ILE HG13 1 68 ILE MG . . 3.700 2.336 2.336 2.336 . 0 0 "[ ]" 1
783 1 68 ILE HG13 1 69 GLN H . . 6.000 5.079 5.079 5.079 . 0 0 "[ ]" 1
784 1 68 ILE MG 1 69 GLN H . . 4.700 2.937 2.937 2.937 . 0 0 "[ ]" 1
785 1 68 ILE MG 1 71 ASN HB3 . . 6.200 5.138 5.138 5.138 . 0 0 "[ ]" 1
786 1 68 ILE MG 1 72 ARG HE . . 7.200 4.725 4.725 4.725 . 0 0 "[ ]" 1
787 1 69 GLN H 1 69 GLN HB2 . . 2.900 2.380 2.380 2.380 . 0 0 "[ ]" 1
788 1 69 GLN H 1 69 GLN HB3 . . 2.800 2.679 2.679 2.679 . 0 0 "[ ]" 1
789 1 69 GLN HA 1 69 GLN HB2 . . 2.900 2.541 2.541 2.541 . 0 0 "[ ]" 1
790 1 69 GLN HA 1 69 GLN HG2 . . 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
791 1 69 GLN HA 1 69 GLN QG . . 3.800 2.869 2.869 2.869 . 0 0 "[ ]" 1
792 1 69 GLN HA 1 69 GLN HG3 . . 4.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
793 1 69 GLN HA 1 70 LYS H . . 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1
794 1 69 GLN HA 1 72 ARG H . . 3.600 3.535 3.535 3.535 . 0 0 "[ ]" 1
795 1 69 GLN HA 1 72 ARG QB . . 3.780 2.629 2.629 2.629 . 0 0 "[ ]" 1
796 1 69 GLN HB2 1 70 LYS H . . 3.900 3.832 3.832 3.832 . 0 0 "[ ]" 1
797 1 69 GLN HB3 1 69 GLN HE22 . . 5.600 5.198 5.198 5.198 . 0 0 "[ ]" 1
798 1 69 GLN HB3 1 70 LYS H . . 3.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
799 1 69 GLN QE 1 72 ARG QD . . 7.740 3.167 3.167 3.167 . 0 0 "[ ]" 1
800 1 69 GLN QG 1 72 ARG QB . . 6.820 4.033 4.033 4.033 . 0 0 "[ ]" 1
801 1 69 GLN QG 1 72 ARG QD . . 6.650 5.293 5.293 5.293 . 0 0 "[ ]" 1
802 1 69 GLN HG2 1 70 LYS H . . 6.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
803 1 69 GLN HG2 1 72 ARG HB2 . . 7.750 6.675 6.675 6.675 . 0 0 "[ ]" 1
804 1 69 GLN HG2 1 72 ARG HB3 . . 7.750 5.733 5.733 5.733 . 0 0 "[ ]" 1
805 1 69 GLN HG3 1 70 LYS H . . 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
806 1 69 GLN HG3 1 72 ARG HB2 . . 7.750 5.496 5.496 5.496 . 0 0 "[ ]" 1
807 1 69 GLN HG3 1 72 ARG HB3 . . 7.750 4.306 4.306 4.306 . 0 0 "[ ]" 1
808 1 69 GLN O 1 73 ASP H . . 2.400 1.879 1.879 1.879 . 0 0 "[ ]" 1
809 1 69 GLN O 1 73 ASP N . . 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 1
810 1 70 LYS H 1 70 LYS HB2 . . 3.600 2.427 2.427 2.427 . 0 0 "[ ]" 1
811 1 70 LYS H 1 70 LYS HB3 . . 3.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
812 1 70 LYS H 1 70 LYS HG2 . . 4.900 4.644 4.644 4.644 . 0 0 "[ ]" 1
813 1 70 LYS H 1 70 LYS HG3 . . 4.700 4.499 4.499 4.499 . 0 0 "[ ]" 1
814 1 70 LYS H 1 71 ASN H . . 2.700 2.743 2.743 2.743 0.043 1 0 "[ ]" 1
815 1 70 LYS HA 1 70 LYS HB2 . . 2.900 2.567 2.567 2.567 . 0 0 "[ ]" 1
816 1 70 LYS HA 1 70 LYS HB3 . . 3.000 3.040 3.040 3.040 0.040 1 0 "[ ]" 1
817 1 70 LYS HA 1 70 LYS HG3 . . 3.100 3.040 3.040 3.040 . 0 0 "[ ]" 1
818 1 70 LYS HA 1 71 ASN H . . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
819 1 70 LYS HA 1 73 ASP H . . 3.400 3.474 3.474 3.474 0.074 1 0 "[ ]" 1
820 1 70 LYS HA 1 73 ASP HB2 . . 3.700 3.431 3.431 3.431 . 0 0 "[ ]" 1
821 1 70 LYS HA 1 73 ASP HB3 . . 2.500 2.253 2.253 2.253 . 0 0 "[ ]" 1
822 1 70 LYS HA 1 74 PHE QE . . 8.000 5.405 5.405 5.405 . 0 0 "[ ]" 1
823 1 70 LYS HB2 1 70 LYS HG2 . . 2.900 2.519 2.519 2.519 . 0 0 "[ ]" 1
824 1 70 LYS HB2 1 70 LYS HG3 . . 3.000 3.035 3.035 3.035 0.035 1 0 "[ ]" 1
825 1 70 LYS HB2 1 71 ASN H . . 3.700 3.730 3.730 3.730 0.030 1 0 "[ ]" 1
826 1 70 LYS HB3 1 71 ASN H . . 3.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
827 1 70 LYS HB3 1 71 ASN QD . . 7.000 3.091 3.091 3.091 . 0 0 "[ ]" 1
828 1 70 LYS QE 1 71 ASN HA . . 7.000 5.620 5.620 5.620 . 0 0 "[ ]" 1
829 1 70 LYS QE 1 74 PHE HZ . . 7.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
830 1 70 LYS HG2 1 71 ASN H . . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
831 1 70 LYS HG2 1 74 PHE QE . . 7.700 3.013 3.013 3.013 . 0 0 "[ ]" 1
832 1 70 LYS HG2 1 74 PHE HZ . . 5.100 5.133 5.133 5.133 0.033 1 0 "[ ]" 1
833 1 70 LYS HG3 1 71 ASN H . . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
834 1 70 LYS HG3 1 74 PHE HZ . . 6.000 4.753 4.753 4.753 . 0 0 "[ ]" 1
835 1 70 LYS O 1 74 PHE H . . 2.400 1.864 1.864 1.864 . 0 0 "[ ]" 1
836 1 70 LYS O 1 74 PHE N . . 3.300 2.807 2.807 2.807 . 0 0 "[ ]" 1
837 1 71 ASN H 1 71 ASN HB2 . . 3.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
838 1 71 ASN H 1 71 ASN QD . . 3.900 2.304 2.304 2.304 . 0 0 "[ ]" 1
839 1 71 ASN H 1 72 ARG H . . 2.900 2.839 2.839 2.839 . 0 0 "[ ]" 1
840 1 71 ASN HA 1 71 ASN HB2 . . 2.900 2.981 2.981 2.981 0.081 1 0 "[ ]" 1
841 1 71 ASN HA 1 71 ASN HB3 . . 3.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
842 1 71 ASN HA 1 72 ARG H . . 3.600 3.618 3.618 3.618 0.018 1 0 "[ ]" 1
843 1 71 ASN HA 1 73 ASP H . . 5.100 4.656 4.656 4.656 . 0 0 "[ ]" 1
844 1 71 ASN HA 1 74 PHE QB . . 3.680 2.805 2.805 2.805 . 0 0 "[ ]" 1
845 1 71 ASN HA 1 74 PHE QD . . 8.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
846 1 71 ASN HA 1 75 PHE QE . . 8.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
847 1 71 ASN HB2 1 72 ARG H . . 3.700 2.886 2.886 2.886 . 0 0 "[ ]" 1
848 1 71 ASN HB2 1 75 PHE QD . . 8.000 6.292 6.292 6.292 . 0 0 "[ ]" 1
849 1 71 ASN HB3 1 72 ARG H . . 3.500 3.475 3.475 3.475 . 0 0 "[ ]" 1
850 1 72 ARG H 1 72 ARG HB2 . . 2.800 2.150 2.150 2.150 . 0 0 "[ ]" 1
851 1 72 ARG H 1 72 ARG QB . . 2.510 2.038 2.038 2.038 . 0 0 "[ ]" 1
852 1 72 ARG H 1 72 ARG HB3 . . 2.800 2.528 2.528 2.528 . 0 0 "[ ]" 1
853 1 72 ARG H 1 72 ARG HE . . 4.500 4.656 4.656 4.656 0.156 1 0 "[ ]" 1
854 1 72 ARG H 1 73 ASP H . . 2.900 2.591 2.591 2.591 . 0 0 "[ ]" 1
855 1 72 ARG H 1 73 ASP HB2 . . 4.700 4.775 4.775 4.775 0.075 1 0 "[ ]" 1
856 1 72 ARG H 1 73 ASP HB3 . . 4.200 4.283 4.283 4.283 0.083 1 0 "[ ]" 1
857 1 72 ARG HA 1 72 ARG HB2 . . 3.000 2.513 2.513 2.513 . 0 0 "[ ]" 1
858 1 72 ARG HA 1 72 ARG HB3 . . 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 1
859 1 72 ARG HA 1 72 ARG HD2 . . 4.900 4.150 4.150 4.150 . 0 0 "[ ]" 1
860 1 72 ARG HA 1 72 ARG QD . . 4.210 3.805 3.805 3.805 . 0 0 "[ ]" 1
861 1 72 ARG HA 1 72 ARG HD3 . . 4.900 4.424 4.424 4.424 . 0 0 "[ ]" 1
862 1 72 ARG HA 1 72 ARG HE . . 3.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
863 1 72 ARG HA 1 72 ARG QG . . 3.730 2.373 2.373 2.373 . 0 0 "[ ]" 1
864 1 72 ARG QB 1 72 ARG HE . . 4.210 2.948 2.948 2.948 . 0 0 "[ ]" 1
865 1 72 ARG HB2 1 72 ARG HD2 . . 4.200 2.265 2.265 2.265 . 0 0 "[ ]" 1
866 1 72 ARG HB2 1 72 ARG HD3 . . 4.200 3.474 3.474 3.474 . 0 0 "[ ]" 1
867 1 72 ARG HB2 1 72 ARG HE . . 4.400 3.017 3.017 3.017 . 0 0 "[ ]" 1
868 1 72 ARG HB2 1 73 ASP H . . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 1
869 1 72 ARG HB3 1 72 ARG HD2 . . 4.200 2.964 2.964 2.964 . 0 0 "[ ]" 1
870 1 72 ARG HB3 1 72 ARG HD3 . . 4.200 3.918 3.918 3.918 . 0 0 "[ ]" 1
871 1 72 ARG HB3 1 72 ARG HE . . 4.400 4.146 4.146 4.146 . 0 0 "[ ]" 1
872 1 72 ARG HB3 1 73 ASP H . . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
873 1 72 ARG QG 1 76 LYS QE . . 7.880 4.049 4.049 4.049 . 0 0 "[ ]" 1
874 1 72 ARG QG 1 76 LYS HG2 . . 4.280 3.629 3.629 3.629 . 0 0 "[ ]" 1
875 1 72 ARG QG 1 76 LYS HG3 . . 6.480 4.705 4.705 4.705 . 0 0 "[ ]" 1
876 1 72 ARG HG2 1 73 ASP H . . 6.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
877 1 72 ARG HG3 1 73 ASP H . . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
878 1 72 ARG O 1 75 PHE H . . 2.400 2.628 2.628 2.628 0.228 1 0 "[ ]" 1
879 1 72 ARG O 1 75 PHE N . . 3.300 3.430 3.430 3.430 0.130 1 0 "[ ]" 1
880 1 73 ASP H 1 73 ASP HB2 . . 3.300 2.379 2.379 2.379 . 0 0 "[ ]" 1
881 1 73 ASP H 1 73 ASP HB3 . . 3.000 2.163 2.163 2.163 . 0 0 "[ ]" 1
882 1 73 ASP H 1 74 PHE H . . 3.400 2.814 2.814 2.814 . 0 0 "[ ]" 1
883 1 73 ASP H 1 77 LYS QE . . 7.000 6.284 6.284 6.284 . 0 0 "[ ]" 1
884 1 73 ASP HA 1 73 ASP HB2 . . 2.900 2.415 2.415 2.415 . 0 0 "[ ]" 1
885 1 73 ASP HA 1 76 LYS H . . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
886 1 73 ASP HA 1 76 LYS HB2 . . 2.900 2.526 2.526 2.526 . 0 0 "[ ]" 1
887 1 73 ASP HA 1 76 LYS HB3 . . 3.700 3.709 3.709 3.709 0.009 1 0 "[ ]" 1
888 1 73 ASP HA 1 76 LYS QE . . 6.700 5.192 5.192 5.192 . 0 0 "[ ]" 1
889 1 73 ASP HA 1 76 LYS HG2 . . 4.800 4.835 4.835 4.835 0.035 1 0 "[ ]" 1
890 1 73 ASP HA 1 76 LYS HG3 . . 5.700 5.602 5.602 5.602 . 0 0 "[ ]" 1
891 1 73 ASP HB2 1 74 PHE H . . 3.900 3.907 3.907 3.907 0.007 1 0 "[ ]" 1
892 1 73 ASP HB3 1 74 PHE H . . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 1
893 1 73 ASP O 1 76 LYS H . . 2.400 2.607 2.607 2.607 0.207 1 0 "[ ]" 1
894 1 73 ASP O 1 76 LYS N . . 3.300 3.216 3.216 3.216 . 0 0 "[ ]" 1
895 1 74 PHE H 1 74 PHE HB2 . . 3.600 2.210 2.210 2.210 . 0 0 "[ ]" 1
896 1 74 PHE H 1 74 PHE QB . . 3.150 2.187 2.187 2.187 . 0 0 "[ ]" 1
897 1 74 PHE H 1 74 PHE HB3 . . 3.600 3.479 3.479 3.479 . 0 0 "[ ]" 1
898 1 74 PHE H 1 75 PHE H . . 3.200 3.077 3.077 3.077 . 0 0 "[ ]" 1
899 1 74 PHE HA 1 74 PHE HB2 . . 2.900 2.908 2.908 2.908 0.008 1 0 "[ ]" 1
900 1 74 PHE HA 1 74 PHE QB . . 2.660 2.499 2.499 2.499 . 0 0 "[ ]" 1
901 1 74 PHE HA 1 74 PHE HB3 . . 2.900 2.723 2.723 2.723 . 0 0 "[ ]" 1
902 1 74 PHE HA 1 74 PHE QE . . 5.900 4.457 4.457 4.457 . 0 0 "[ ]" 1
903 1 74 PHE HA 1 75 PHE H . . 3.600 3.545 3.545 3.545 . 0 0 "[ ]" 1
904 1 74 PHE QB 1 75 PHE H . . 3.990 2.515 2.515 2.515 . 0 0 "[ ]" 1
905 1 74 PHE HB2 1 75 PHE H . . 4.600 2.861 2.861 2.861 . 0 0 "[ ]" 1
906 1 74 PHE HB2 1 75 PHE QD . . 8.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
907 1 74 PHE HB3 1 75 PHE H . . 4.600 2.788 2.788 2.788 . 0 0 "[ ]" 1
908 1 74 PHE HB3 1 75 PHE QD . . 8.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
909 1 74 PHE QD 1 75 PHE QD . . 10.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
910 1 74 PHE QD 1 75 PHE QE . . 9.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
911 1 74 PHE QD 1 75 PHE HZ . . 7.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
912 1 74 PHE QE 1 75 PHE QE . . 10.000 4.818 4.818 4.818 . 0 0 "[ ]" 1
913 1 75 PHE H 1 75 PHE HB2 . . 2.800 2.637 2.637 2.637 . 0 0 "[ ]" 1
914 1 75 PHE H 1 75 PHE HB3 . . 3.700 3.660 3.660 3.660 . 0 0 "[ ]" 1
915 1 75 PHE H 1 75 PHE QE . . 6.000 4.065 4.065 4.065 . 0 0 "[ ]" 1
916 1 75 PHE H 1 76 LYS H . . 3.000 2.262 2.262 2.262 . 0 0 "[ ]" 1
917 1 75 PHE HA 1 75 PHE HB2 . . 2.900 2.964 2.964 2.964 0.064 1 0 "[ ]" 1
918 1 75 PHE HA 1 75 PHE HB3 . . 2.700 2.333 2.333 2.333 . 0 0 "[ ]" 1
919 1 75 PHE HA 1 76 LYS H . . 3.600 3.502 3.502 3.502 . 0 0 "[ ]" 1
920 1 75 PHE HB3 1 76 LYS H . . 4.900 4.276 4.276 4.276 . 0 0 "[ ]" 1
921 1 76 LYS H 1 76 LYS HB2 . . 3.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
922 1 76 LYS H 1 76 LYS HB3 . . 3.700 3.507 3.507 3.507 . 0 0 "[ ]" 1
923 1 76 LYS H 1 76 LYS QD . . 5.200 3.319 3.319 3.319 . 0 0 "[ ]" 1
924 1 76 LYS H 1 76 LYS QE . . 6.400 2.759 2.759 2.759 . 0 0 "[ ]" 1
925 1 76 LYS H 1 76 LYS HG2 . . 5.300 4.439 4.439 4.439 . 0 0 "[ ]" 1
926 1 76 LYS H 1 76 LYS HG3 . . 5.000 4.070 4.070 4.070 . 0 0 "[ ]" 1
927 1 76 LYS H 1 77 LYS H . . 4.300 3.889 3.889 3.889 . 0 0 "[ ]" 1
928 1 76 LYS HA 1 76 LYS HB3 . . 2.900 2.605 2.605 2.605 . 0 0 "[ ]" 1
929 1 76 LYS HB2 1 77 LYS H . . 4.900 4.693 4.693 4.693 . 0 0 "[ ]" 1
930 1 76 LYS HB3 1 77 LYS H . . 5.500 4.244 4.244 4.244 . 0 0 "[ ]" 1
931 1 76 LYS HB3 1 77 LYS QB . . 5.380 4.842 4.842 4.842 . 0 0 "[ ]" 1
932 1 76 LYS QD 1 77 LYS H . . 7.000 5.844 5.844 5.844 . 0 0 "[ ]" 1
933 1 77 LYS H 1 77 LYS HB2 . . 3.800 3.145 3.145 3.145 . 0 0 "[ ]" 1
934 1 77 LYS H 1 77 LYS QB . . 3.600 2.693 2.693 2.693 . 0 0 "[ ]" 1
935 1 77 LYS H 1 77 LYS HB3 . . 3.800 2.928 2.928 2.928 . 0 0 "[ ]" 1
936 1 77 LYS HA 1 77 LYS QD . . 4.400 2.212 2.212 2.212 . 0 0 "[ ]" 1
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