NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
401325 |
1vih   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vih
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 1104
_Distance_constraint_stats_list.Viol_count 66
_Distance_constraint_stats_list.Viol_total 3.470
_Distance_constraint_stats_list.Viol_max 0.309
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_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 2 ASN 0.000 0.000 . 0 "[ ]"
1 3 ARG 0.009 0.009 1 0 "[ ]"
1 4 MET 0.069 0.063 1 0 "[ ]"
1 5 ASP 0.063 0.063 1 0 "[ ]"
1 6 TYR 0.015 0.015 1 0 "[ ]"
1 7 VAL 0.090 0.063 1 0 "[ ]"
1 8 GLU 0.212 0.114 1 0 "[ ]"
1 9 ILE 0.453 0.114 1 0 "[ ]"
1 10 ASN 0.020 0.020 1 0 "[ ]"
1 11 ILE 0.249 0.108 1 0 "[ ]"
1 12 ASP 0.020 0.020 1 0 "[ ]"
1 13 HIS 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 PHE 0.097 0.051 1 0 "[ ]"
1 16 HIS 0.082 0.051 1 0 "[ ]"
1 17 ARG 0.000 0.000 . 0 "[ ]"
1 18 HIS 0.025 0.025 1 0 "[ ]"
1 19 LEU 0.053 0.025 1 0 "[ ]"
1 20 ILE 0.317 0.248 1 0 "[ ]"
1 21 GLY 0.321 0.248 1 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.045 0.045 1 0 "[ ]"
1 25 ALA 0.016 0.016 1 0 "[ ]"
1 26 ASN 0.088 0.073 1 0 "[ ]"
1 27 ILE 0.135 0.051 1 0 "[ ]"
1 28 ASN 0.252 0.244 1 0 "[ ]"
1 29 ARG 0.274 0.244 1 0 "[ ]"
1 30 ILE 0.036 0.021 1 0 "[ ]"
1 31 LYS 0.465 0.244 1 0 "[ ]"
1 32 ASP 0.370 0.244 1 0 "[ ]"
1 33 GLN 1.206 0.309 1 0 "[ ]"
1 34 TYR 0.818 0.309 1 0 "[ ]"
1 35 LYS 0.077 0.073 1 0 "[ ]"
1 36 VAL 0.171 0.062 1 0 "[ ]"
1 37 SER 0.107 0.107 1 0 "[ ]"
1 38 VAL 0.058 0.032 1 0 "[ ]"
1 39 ARG 0.132 0.107 1 0 "[ ]"
1 40 ILE 0.245 0.073 1 0 "[ ]"
1 41 PRO 0.022 0.022 1 0 "[ ]"
1 42 PRO 0.062 0.035 1 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 SER 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 ASN 0.054 0.051 1 0 "[ ]"
1 49 LEU 0.115 0.063 1 0 "[ ]"
1 50 ILE 0.285 0.108 1 0 "[ ]"
1 51 ARG 0.180 0.107 1 0 "[ ]"
1 52 ILE 0.252 0.108 1 0 "[ ]"
1 53 GLU 0.152 0.123 1 0 "[ ]"
1 54 GLY 0.056 0.022 1 0 "[ ]"
1 55 ASP 0.192 0.174 1 0 "[ ]"
1 56 PRO 0.197 0.174 1 0 "[ ]"
1 57 GLN 0.030 0.030 1 0 "[ ]"
1 58 GLY 0.120 0.120 1 0 "[ ]"
1 59 VAL 0.413 0.174 1 0 "[ ]"
1 60 GLN 0.312 0.197 1 0 "[ ]"
1 61 GLN 0.090 0.073 1 0 "[ ]"
1 62 ALA 0.248 0.248 1 0 "[ ]"
1 63 LYS 0.159 0.093 1 0 "[ ]"
1 64 ARG 0.173 0.093 1 0 "[ ]"
1 65 GLU 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.026 0.026 1 0 "[ ]"
1 67 LEU 0.145 0.061 1 0 "[ ]"
1 68 GLU 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.573 0.309 1 0 "[ ]"
1 70 ALA 0.566 0.309 1 0 "[ ]"
1 71 SER 0.016 0.016 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 2 ASN H 1 3 ARG QB 2.800 . 3.800 2.613 2.613 2.613 . 0 0 "[ ]" 1
2 1 2 ASN HA 1 2 ASN HB3 2.500 . 3.300 2.706 2.706 2.706 . 0 0 "[ ]" 1
3 1 2 ASN HA 1 3 ARG H 3.500 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
4 1 2 ASN HB3 1 3 ARG H 2.500 . 3.300 2.775 2.775 2.775 . 0 0 "[ ]" 1
5 1 3 ARG H 1 3 ARG QG 2.500 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
6 1 3 ARG HA 1 3 ARG QG 3.200 . 4.500 3.312 3.312 3.312 . 0 0 "[ ]" 1
7 1 3 ARG HA 1 4 MET H 3.100 . 4.300 2.860 2.860 2.860 . 0 0 "[ ]" 1
8 1 3 ARG QB 1 3 ARG QG 2.000 . 2.500 2.067 2.067 2.067 . 0 0 "[ ]" 1
9 1 3 ARG QG 1 4 MET H 2.700 . 3.600 2.056 2.056 2.056 . 0 0 "[ ]" 1
10 1 3 ARG QG 1 4 MET H 2.500 . 3.300 2.048 2.048 2.048 . 0 0 "[ ]" 1
11 1 4 MET H 1 4 MET HB2 3.800 . 5.600 2.559 2.559 2.559 . 0 0 "[ ]" 1
12 1 4 MET H 1 4 MET HB2 2.900 . 4.000 2.549 2.549 2.549 . 0 0 "[ ]" 1
13 1 4 MET H 1 4 MET HB3 3.500 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
14 1 4 MET H 1 4 MET QG 3.300 . 4.700 3.578 3.578 3.578 . 0 0 "[ ]" 1
15 1 4 MET H 1 5 ASP H 2.700 . 3.600 3.417 3.417 3.417 . 0 0 "[ ]" 1
16 1 4 MET HA 1 4 MET HB2 2.300 . 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 1
17 1 4 MET HA 1 4 MET HB3 2.600 . 3.400 2.575 2.575 2.575 . 0 0 "[ ]" 1
18 1 4 MET HA 1 4 MET QG 2.500 . 3.300 2.123 2.123 2.123 . 0 0 "[ ]" 1
19 1 4 MET HA 1 5 ASP H 2.200 . 2.800 2.151 2.151 2.151 . 0 0 "[ ]" 1
20 1 4 MET HB2 1 4 MET QG 2.300 . 3.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
21 1 4 MET HB2 1 5 ASP H 4.000 . 6.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
22 1 4 MET HB2 1 5 ASP H 2.600 . 3.400 3.463 3.463 3.463 0.063 1 0 "[ ]" 1
23 1 4 MET HB3 1 5 ASP H 3.500 . 5.000 3.440 3.440 3.440 . 0 0 "[ ]" 1
24 1 4 MET QG 1 5 ASP H 3.500 . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
25 1 4 MET QG 1 5 ASP HA 3.200 . 4.500 4.282 4.282 4.282 . 0 0 "[ ]" 1
26 1 5 ASP H 1 5 ASP HA 2.700 . 3.600 2.413 2.413 2.413 . 0 0 "[ ]" 1
27 1 5 ASP H 1 5 ASP HB2 2.900 . 4.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
28 1 5 ASP H 1 5 ASP HB2 2.800 . 3.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
29 1 5 ASP H 1 5 ASP HB3 2.800 . 3.800 3.628 3.628 3.628 . 0 0 "[ ]" 1
30 1 5 ASP H 1 6 TYR QE 7.000 . 7.300 7.291 7.291 7.291 . 0 0 "[ ]" 1
31 1 5 ASP H 1 54 GLY H 3.700 . 5.400 3.602 3.602 3.602 . 0 0 "[ ]" 1
32 1 5 ASP H 1 54 GLY H 2.900 . 4.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
33 1 5 ASP H 1 54 GLY HA2 6.000 . 6.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
34 1 5 ASP HA 1 59 VAL MG1 3.000 . 4.100 3.631 3.631 3.631 . 0 0 "[ ]" 1
35 1 5 ASP HA 1 5 ASP HB2 2.300 . 3.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
36 1 5 ASP HA 1 5 ASP HB3 2.900 . 4.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
37 1 5 ASP HA 1 5 ASP HB3 2.600 . 3.400 2.374 2.374 2.374 . 0 0 "[ ]" 1
38 1 5 ASP HA 1 6 TYR H 2.100 . 2.700 2.220 2.220 2.220 . 0 0 "[ ]" 1
39 1 5 ASP HA 1 6 TYR QD 4.800 . 6.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
40 1 5 ASP HA 1 59 VAL HB 3.100 . 4.300 4.228 4.228 4.228 . 0 0 "[ ]" 1
41 1 5 ASP HA 1 59 VAL MG1 3.000 . 4.100 3.724 3.724 3.724 . 0 0 "[ ]" 1
42 1 5 ASP HA 1 59 VAL QG 3.100 . 4.300 3.544 3.544 3.544 . 0 0 "[ ]" 1
43 1 5 ASP HB2 1 6 TYR H 4.000 . 6.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
44 1 5 ASP HB2 1 6 TYR QD 2.900 . 4.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
45 1 5 ASP HB2 1 59 VAL HB 2.900 . 4.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
46 1 5 ASP HB2 1 59 VAL HB 3.000 . 4.100 3.422 3.422 3.422 . 0 0 "[ ]" 1
47 1 5 ASP HB2 1 59 VAL HB 3.000 . 4.100 3.492 3.492 3.492 . 0 0 "[ ]" 1
48 1 5 ASP HB2 1 59 VAL HB 2.800 . 3.800 3.522 3.522 3.522 . 0 0 "[ ]" 1
49 1 5 ASP HB2 1 59 VAL MG1 2.600 . 3.400 1.992 1.992 1.992 . 0 0 "[ ]" 1
50 1 5 ASP HB2 1 59 VAL QG 3.000 . 4.100 1.976 1.976 1.976 . 0 0 "[ ]" 1
51 1 5 ASP HB3 1 6 TYR H 2.800 . 3.800 2.973 2.973 2.973 . 0 0 "[ ]" 1
52 1 5 ASP HB3 1 7 VAL MG1 3.000 . 4.100 3.951 3.951 3.951 . 0 0 "[ ]" 1
53 1 5 ASP HB3 1 59 VAL MG1 2.500 . 3.300 3.070 3.070 3.070 . 0 0 "[ ]" 1
54 1 5 ASP HB3 1 59 VAL MG1 2.500 . 3.300 3.013 3.013 3.013 . 0 0 "[ ]" 1
55 1 6 TYR H 1 6 TYR HA 2.600 . 3.400 2.946 2.946 2.946 . 0 0 "[ ]" 1
56 1 6 TYR H 1 6 TYR QB 3.400 . 4.800 2.991 2.991 2.991 . 0 0 "[ ]" 1
57 1 6 TYR H 1 6 TYR HB3 2.800 . 3.800 3.116 3.116 3.116 . 0 0 "[ ]" 1
58 1 6 TYR H 1 6 TYR QD 2.600 . 3.400 2.406 2.406 2.406 . 0 0 "[ ]" 1
59 1 6 TYR H 1 6 TYR QE 7.000 . 7.300 4.067 4.067 4.067 . 0 0 "[ ]" 1
60 1 6 TYR H 1 7 VAL H 4.500 . 4.800 4.430 4.430 4.430 . 0 0 "[ ]" 1
61 1 6 TYR H 1 7 VAL MG1 2.900 . 4.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
62 1 6 TYR HA 1 6 TYR HB2 2.400 . 3.100 2.396 2.396 2.396 . 0 0 "[ ]" 1
63 1 6 TYR HA 1 6 TYR HB3 2.500 . 3.300 2.482 2.482 2.482 . 0 0 "[ ]" 1
64 1 6 TYR HA 1 6 TYR QD 2.900 . 4.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
65 1 6 TYR HA 1 7 VAL H 2.000 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
66 1 6 TYR HA 1 7 VAL MG1 2.800 . 3.800 3.068 3.068 3.068 . 0 0 "[ ]" 1
67 1 6 TYR HA 1 7 VAL MG1 2.800 . 3.800 2.759 2.759 2.759 . 0 0 "[ ]" 1
68 1 6 TYR HA 1 53 GLU HA 2.400 . 3.100 1.926 1.926 1.926 . 0 0 "[ ]" 1
69 1 6 TYR HA 1 53 GLU HB2 5.000 . 6.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
70 1 6 TYR HA 1 53 GLU HB3 3.000 . 4.100 4.029 4.029 4.029 . 0 0 "[ ]" 1
71 1 6 TYR HA 1 53 GLU QG 3.200 . 4.500 2.786 2.786 2.786 . 0 0 "[ ]" 1
72 1 6 TYR HA 1 54 GLY H 2.800 . 3.800 3.482 3.482 3.482 . 0 0 "[ ]" 1
73 1 6 TYR HA 1 59 VAL MG1 4.500 . 4.800 4.286 4.286 4.286 . 0 0 "[ ]" 1
74 1 6 TYR QB 1 53 GLU HA 3.000 . 4.100 3.334 3.334 3.334 . 0 0 "[ ]" 1
75 1 6 TYR QB 1 54 GLY H 5.000 . 5.300 4.575 4.575 4.575 . 0 0 "[ ]" 1
76 1 6 TYR HB2 1 6 TYR QD 2.100 . 2.700 2.330 2.330 2.330 . 0 0 "[ ]" 1
77 1 6 TYR HB2 1 7 VAL H 2.400 . 3.100 2.277 2.277 2.277 . 0 0 "[ ]" 1
78 1 6 TYR HB2 1 7 VAL MG1 2.900 . 4.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
79 1 6 TYR HB2 1 7 VAL MG1 2.600 . 3.400 3.302 3.302 3.302 . 0 0 "[ ]" 1
80 1 6 TYR HB2 1 53 GLU HA 3.200 . 4.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
81 1 6 TYR HB3 1 6 TYR QD 2.100 . 2.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
82 1 6 TYR HB3 1 53 GLU HA 3.000 . 4.100 3.693 3.693 3.693 . 0 0 "[ ]" 1
83 1 6 TYR HB3 1 53 GLU QG 2.600 . 3.400 1.990 1.990 1.990 . 0 0 "[ ]" 1
84 1 6 TYR QD 1 7 VAL H 2.600 . 3.400 2.941 2.941 2.941 . 0 0 "[ ]" 1
85 1 6 TYR QD 1 7 VAL HA 2.800 . 3.800 3.259 3.259 3.259 . 0 0 "[ ]" 1
86 1 6 TYR QD 1 8 GLU H 5.000 . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
87 1 6 TYR QD 1 8 GLU HB3 3.000 . 4.100 3.711 3.711 3.711 . 0 0 "[ ]" 1
88 1 6 TYR QD 1 8 GLU HB3 3.000 . 4.100 3.696 3.696 3.696 . 0 0 "[ ]" 1
89 1 6 TYR QD 1 8 GLU HG2 2.700 . 3.600 2.938 2.938 2.938 . 0 0 "[ ]" 1
90 1 6 TYR QD 1 52 ILE H 7.000 . 7.300 5.035 5.035 5.035 . 0 0 "[ ]" 1
91 1 6 TYR QD 1 53 GLU HA 6.000 . 6.000 5.123 5.123 5.123 . 0 0 "[ ]" 1
92 1 6 TYR QD 1 53 GLU QG 2.800 . 3.800 3.580 3.580 3.580 . 0 0 "[ ]" 1
93 1 6 TYR QE 1 8 GLU HG2 2.800 . 3.800 3.815 3.815 3.815 0.015 1 0 "[ ]" 1
94 1 6 TYR QE 1 8 GLU HG3 2.800 . 3.800 3.667 3.667 3.667 . 0 0 "[ ]" 1
95 1 7 VAL H 1 7 VAL HA 2.400 . 3.100 2.837 2.837 2.837 . 0 0 "[ ]" 1
96 1 7 VAL H 1 7 VAL HB 2.700 . 3.600 3.547 3.547 3.547 . 0 0 "[ ]" 1
97 1 7 VAL H 1 7 VAL MG1 2.400 . 3.100 2.497 2.497 2.497 . 0 0 "[ ]" 1
98 1 7 VAL H 1 7 VAL MG2 3.500 . 5.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
99 1 7 VAL H 1 52 ILE H 3.500 . 5.000 3.096 3.096 3.096 . 0 0 "[ ]" 1
100 1 7 VAL H 1 52 ILE HB 2.800 . 3.800 3.690 3.690 3.690 . 0 0 "[ ]" 1
101 1 7 VAL H 1 52 ILE MD 5.700 . 6.000 5.726 5.726 5.726 . 0 0 "[ ]" 1
102 1 7 VAL H 1 53 GLU HA 2.900 . 4.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
103 1 7 VAL HA 1 7 VAL HB 2.400 . 3.100 2.415 2.415 2.415 . 0 0 "[ ]" 1
104 1 7 VAL HA 1 7 VAL MG1 2.500 . 3.300 3.195 3.195 3.195 . 0 0 "[ ]" 1
105 1 7 VAL HA 1 7 VAL MG2 2.400 . 3.100 2.326 2.326 2.326 . 0 0 "[ ]" 1
106 1 7 VAL HA 1 8 GLU H 1.900 . 2.400 2.264 2.264 2.264 . 0 0 "[ ]" 1
107 1 7 VAL HB 1 7 VAL MG1 2.000 . 2.500 1.864 1.864 1.864 . 0 0 "[ ]" 1
108 1 7 VAL HB 1 7 VAL MG2 1.700 . 2.100 1.656 1.656 1.656 . 0 0 "[ ]" 1
109 1 7 VAL HB 1 7 VAL MG2 1.800 . 2.200 1.728 1.728 1.728 . 0 0 "[ ]" 1
110 1 7 VAL HB 1 63 LYS HE3 2.900 . 4.000 3.424 3.424 3.424 . 0 0 "[ ]" 1
111 1 7 VAL MG1 1 8 GLU H 3.700 . 5.400 3.817 3.817 3.817 . 0 0 "[ ]" 1
112 1 7 VAL MG1 1 8 GLU HA 3.500 . 5.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
113 1 7 VAL MG1 1 8 GLU HA 2.900 . 4.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
114 1 7 VAL MG1 1 8 GLU HG2 2.900 . 4.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
115 1 7 VAL MG1 1 9 ILE H 2.800 . 3.800 2.925 2.925 2.925 . 0 0 "[ ]" 1
116 1 7 VAL MG1 1 9 ILE H 2.700 . 3.600 3.081 3.081 3.081 . 0 0 "[ ]" 1
117 1 7 VAL MG1 1 53 GLU H 2.900 . 4.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
118 1 7 VAL MG1 1 63 LYS HA 2.500 . 3.300 3.224 3.224 3.224 . 0 0 "[ ]" 1
119 1 7 VAL MG1 1 52 ILE H 2.500 . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
120 1 7 VAL MG1 1 52 ILE H 2.700 . 3.600 3.054 3.054 3.054 . 0 0 "[ ]" 1
121 1 7 VAL MG1 1 52 ILE HB 2.200 . 2.800 1.650 1.650 1.650 . 0 0 "[ ]" 1
122 1 7 VAL MG1 1 63 LYS H 2.900 . 4.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
123 1 7 VAL MG1 1 53 GLU HA 2.500 . 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 1
124 1 7 VAL MG1 1 53 GLU QG 2.600 . 3.400 3.299 3.299 3.299 . 0 0 "[ ]" 1
125 1 7 VAL MG2 1 8 GLU H 2.400 . 3.100 1.914 1.914 1.914 . 0 0 "[ ]" 1
126 1 7 VAL MG2 1 8 GLU HA 3.000 . 4.100 3.476 3.476 3.476 . 0 0 "[ ]" 1
127 1 7 VAL MG2 1 8 GLU HG2 2.900 . 4.000 4.063 4.063 4.063 0.063 1 0 "[ ]" 1
128 1 7 VAL MG2 1 63 LYS HE2 2.300 . 2.800 2.658 2.658 2.658 . 0 0 "[ ]" 1
129 1 7 VAL MG2 1 63 LYS HG2 2.000 . 2.500 2.257 2.257 2.257 . 0 0 "[ ]" 1
130 1 7 VAL MG2 1 52 ILE H 2.500 . 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 1
131 1 8 GLU H 1 8 GLU HA 2.700 . 3.600 2.959 2.959 2.959 . 0 0 "[ ]" 1
132 1 8 GLU H 1 8 GLU HB2 3.500 . 5.000 2.900 2.900 2.900 . 0 0 "[ ]" 1
133 1 8 GLU H 1 8 GLU HB3 3.100 . 4.300 3.793 3.793 3.793 . 0 0 "[ ]" 1
134 1 8 GLU H 1 8 GLU HB3 2.500 . 3.300 2.874 2.874 2.874 . 0 0 "[ ]" 1
135 1 8 GLU H 1 8 GLU HG3 2.800 . 3.800 2.907 2.907 2.907 . 0 0 "[ ]" 1
136 1 8 GLU HA 1 8 GLU HB2 2.700 . 3.600 2.987 2.987 2.987 . 0 0 "[ ]" 1
137 1 8 GLU HA 1 8 GLU HB3 2.800 . 3.800 2.309 2.309 2.309 . 0 0 "[ ]" 1
138 1 8 GLU HA 1 8 GLU HG2 3.200 . 4.500 2.751 2.751 2.751 . 0 0 "[ ]" 1
139 1 8 GLU HA 1 8 GLU HG3 2.800 . 3.800 3.820 3.820 3.820 0.020 1 0 "[ ]" 1
140 1 8 GLU HA 1 9 ILE H 2.000 . 2.500 2.157 2.157 2.157 . 0 0 "[ ]" 1
141 1 8 GLU HA 1 9 ILE QG 3.000 . 4.100 3.463 3.463 3.463 . 0 0 "[ ]" 1
142 1 8 GLU HA 1 51 ARG HA 2.800 . 3.800 2.969 2.969 2.969 . 0 0 "[ ]" 1
143 1 8 GLU HA 1 52 ILE H 2.900 . 4.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
144 1 8 GLU HB2 1 9 ILE H 2.800 . 3.800 3.914 3.914 3.914 0.114 1 0 "[ ]" 1
145 1 8 GLU HB2 1 9 ILE H 3.000 . 4.100 3.856 3.856 3.856 . 0 0 "[ ]" 1
146 1 8 GLU HB2 1 50 ILE MG 3.000 . 4.100 3.365 3.365 3.365 . 0 0 "[ ]" 1
147 1 8 GLU HB2 1 50 ILE MG 3.000 . 4.100 3.433 3.433 3.433 . 0 0 "[ ]" 1
148 1 8 GLU HB3 1 9 ILE H 3.400 . 4.800 3.333 3.333 3.333 . 0 0 "[ ]" 1
149 1 8 GLU HB3 1 50 ILE MG 2.900 . 4.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
150 1 8 GLU HG3 1 51 ARG HG3 3.100 . 4.300 4.035 4.035 4.035 . 0 0 "[ ]" 1
151 1 9 ILE H 1 9 ILE MG 2.400 . 3.100 2.996 2.996 2.996 . 0 0 "[ ]" 1
152 1 9 ILE H 1 9 ILE HA 2.700 . 3.600 2.939 2.939 2.939 . 0 0 "[ ]" 1
153 1 9 ILE H 1 9 ILE HB 2.800 . 3.800 3.585 3.585 3.585 . 0 0 "[ ]" 1
154 1 9 ILE H 1 9 ILE HB 2.800 . 3.800 3.419 3.419 3.419 . 0 0 "[ ]" 1
155 1 9 ILE H 1 9 ILE MD 3.900 . 5.800 3.621 3.621 3.621 . 0 0 "[ ]" 1
156 1 9 ILE H 1 9 ILE QG 2.300 . 3.000 1.899 1.899 1.899 . 0 0 "[ ]" 1
157 1 9 ILE H 1 9 ILE QG 2.500 . 3.300 1.783 1.783 1.783 . 0 0 "[ ]" 1
158 1 9 ILE H 1 9 ILE MG 2.300 . 3.000 3.029 3.029 3.029 0.029 1 0 "[ ]" 1
159 1 9 ILE H 1 50 ILE HB 2.200 . 2.800 2.486 2.486 2.486 . 0 0 "[ ]" 1
160 1 9 ILE H 1 50 ILE H 4.200 . 6.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
161 1 9 ILE H 1 50 ILE MD 2.900 . 4.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
162 1 9 ILE H 1 50 ILE MG 2.900 . 4.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
163 1 9 ILE HA 1 9 ILE HB 2.300 . 3.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
164 1 9 ILE HA 1 9 ILE MG 2.300 . 3.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
165 1 9 ILE HA 1 10 ASN H 2.200 . 2.800 2.123 2.123 2.123 . 0 0 "[ ]" 1
166 1 9 ILE HA 1 11 ILE QG 3.100 . 4.300 3.628 3.628 3.628 . 0 0 "[ ]" 1
167 1 9 ILE HA 1 63 LYS HE3 2.600 . 3.400 2.591 2.591 2.591 . 0 0 "[ ]" 1
168 1 9 ILE HB 1 9 ILE MD 1.800 . 2.200 1.782 1.782 1.782 . 0 0 "[ ]" 1
169 1 9 ILE HB 1 9 ILE MG 1.800 . 2.200 2.091 2.091 2.091 . 0 0 "[ ]" 1
170 1 9 ILE HB 1 9 ILE MG 1.700 . 2.100 2.095 2.095 2.095 . 0 0 "[ ]" 1
171 1 9 ILE HB 1 10 ASN H 2.600 . 3.400 3.401 3.401 3.401 0.001 1 0 "[ ]" 1
172 1 9 ILE HB 1 11 ILE QG 2.100 . 2.700 2.756 2.756 2.756 0.056 1 0 "[ ]" 1
173 1 9 ILE HB 1 50 ILE MG 3.000 . 4.100 3.826 3.826 3.826 . 0 0 "[ ]" 1
174 1 9 ILE HB 1 50 ILE MG 2.600 . 3.400 3.426 3.426 3.426 0.026 1 0 "[ ]" 1
175 1 9 ILE HB 1 50 ILE MG 2.700 . 3.600 3.411 3.411 3.411 . 0 0 "[ ]" 1
176 1 9 ILE HB 1 50 ILE MD 2.900 . 4.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
177 1 9 ILE HB 1 67 LEU HA 2.300 . 3.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
178 1 9 ILE MD 1 9 ILE QG 1.900 . 2.400 1.907 1.907 1.907 . 0 0 "[ ]" 1
179 1 9 ILE MD 1 10 ASN HA 3.100 . 4.300 3.369 3.369 3.369 . 0 0 "[ ]" 1
180 1 9 ILE MD 1 11 ILE QG 2.100 . 2.700 2.005 2.005 2.005 . 0 0 "[ ]" 1
181 1 9 ILE MD 1 11 ILE QG 1.900 . 2.400 2.003 2.003 2.003 . 0 0 "[ ]" 1
182 1 9 ILE MD 1 50 ILE MG 2.300 . 3.000 2.067 2.067 2.067 . 0 0 "[ ]" 1
183 1 9 ILE MD 1 50 ILE MD 3.300 . 3.600 1.833 1.833 1.833 . 0 0 "[ ]" 1
184 1 9 ILE MD 1 67 LEU H 2.700 . 3.600 3.192 3.192 3.192 . 0 0 "[ ]" 1
185 1 9 ILE MD 1 67 LEU HA 2.100 . 2.700 2.284 2.284 2.284 . 0 0 "[ ]" 1
186 1 9 ILE QG 1 11 ILE MD 2.200 . 2.800 2.908 2.908 2.908 0.108 1 0 "[ ]" 1
187 1 9 ILE QG 1 15 PHE HB2 3.100 . 4.300 4.351 4.351 4.351 0.051 1 0 "[ ]" 1
188 1 9 ILE QG 1 50 ILE HB 2.500 . 3.300 1.919 1.919 1.919 . 0 0 "[ ]" 1
189 1 9 ILE QG 1 52 ILE HG12 2.700 . 3.600 2.819 2.819 2.819 . 0 0 "[ ]" 1
190 1 9 ILE MG 1 64 ARG HA 2.800 . 3.800 3.454 3.454 3.454 . 0 0 "[ ]" 1
191 1 9 ILE MG 1 63 LYS HA 2.800 . 3.800 2.793 2.793 2.793 . 0 0 "[ ]" 1
192 1 9 ILE MG 1 67 LEU H 2.400 . 3.100 3.107 3.107 3.107 0.007 1 0 "[ ]" 1
193 1 10 ASN H 1 10 ASN HA 3.000 . 4.100 2.842 2.842 2.842 . 0 0 "[ ]" 1
194 1 10 ASN H 1 10 ASN HB2 2.900 . 4.000 2.111 2.111 2.111 . 0 0 "[ ]" 1
195 1 10 ASN H 1 10 ASN HB3 2.400 . 3.100 3.094 3.094 3.094 . 0 0 "[ ]" 1
196 1 10 ASN H 1 11 ILE MD 2.700 . 3.600 3.297 3.297 3.297 . 0 0 "[ ]" 1
197 1 10 ASN HA 1 10 ASN HB2 2.600 . 3.400 2.763 2.763 2.763 . 0 0 "[ ]" 1
198 1 10 ASN HA 1 10 ASN HB3 2.600 . 3.400 2.915 2.915 2.915 . 0 0 "[ ]" 1
199 1 10 ASN HA 1 10 ASN HD21 3.100 . 4.300 2.709 2.709 2.709 . 0 0 "[ ]" 1
200 1 10 ASN HA 1 11 ILE H 2.000 . 2.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
201 1 10 ASN HA 1 49 LEU HA 2.800 . 3.800 3.038 3.038 3.038 . 0 0 "[ ]" 1
202 1 10 ASN HA 1 49 LEU MD1 3.000 . 4.100 2.005 2.005 2.005 . 0 0 "[ ]" 1
203 1 10 ASN HA 1 49 LEU MD2 3.500 . 5.000 3.389 3.389 3.389 . 0 0 "[ ]" 1
204 1 10 ASN HA 1 50 ILE H 3.500 . 5.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
205 1 10 ASN HB2 1 10 ASN HD21 2.900 . 4.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
206 1 10 ASN HB2 1 11 ILE H 3.400 . 4.800 4.632 4.632 4.632 . 0 0 "[ ]" 1
207 1 10 ASN HB2 1 49 LEU MD1 2.800 . 3.800 3.797 3.797 3.797 . 0 0 "[ ]" 1
208 1 10 ASN HB3 1 11 ILE H 2.800 . 3.800 3.778 3.778 3.778 . 0 0 "[ ]" 1
209 1 10 ASN HD21 1 49 LEU QB 3.000 . 4.100 3.750 3.750 3.750 . 0 0 "[ ]" 1
210 1 10 ASN HD22 1 49 LEU MD1 2.800 . 3.800 2.180 2.180 2.180 . 0 0 "[ ]" 1
211 1 10 ASN HD22 1 49 LEU HG 3.000 . 4.100 4.120 4.120 4.120 0.020 1 0 "[ ]" 1
212 1 11 ILE H 1 11 ILE HA 2.600 . 3.400 2.952 2.952 2.952 . 0 0 "[ ]" 1
213 1 11 ILE H 1 11 ILE HB 2.400 . 3.100 2.465 2.465 2.465 . 0 0 "[ ]" 1
214 1 11 ILE H 1 11 ILE QG 2.900 . 4.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
215 1 11 ILE H 1 11 ILE QG 2.700 . 3.600 2.513 2.513 2.513 . 0 0 "[ ]" 1
216 1 11 ILE H 1 11 ILE MG 3.300 . 4.700 3.772 3.772 3.772 . 0 0 "[ ]" 1
217 1 11 ILE H 1 12 ASP H 4.500 . 4.800 4.520 4.520 4.520 . 0 0 "[ ]" 1
218 1 11 ILE H 1 48 ASN HB2 3.500 . 5.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
219 1 11 ILE H 1 48 ASN HB3 2.700 . 3.600 3.472 3.472 3.472 . 0 0 "[ ]" 1
220 1 11 ILE H 1 49 LEU HA 3.000 . 4.100 2.304 2.304 2.304 . 0 0 "[ ]" 1
221 1 11 ILE HA 1 11 ILE HB 2.700 . 3.600 3.017 3.017 3.017 . 0 0 "[ ]" 1
222 1 11 ILE HA 1 11 ILE QG 2.800 . 3.800 2.833 2.833 2.833 . 0 0 "[ ]" 1
223 1 11 ILE HA 1 11 ILE MG 2.200 . 2.800 2.422 2.422 2.422 . 0 0 "[ ]" 1
224 1 11 ILE HA 1 12 ASP H 2.200 . 2.800 2.426 2.426 2.426 . 0 0 "[ ]" 1
225 1 11 ILE HB 1 11 ILE MG 2.000 . 2.500 2.130 2.130 2.130 . 0 0 "[ ]" 1
226 1 11 ILE HB 1 12 ASP H 6.000 . 6.300 3.673 3.673 3.673 . 0 0 "[ ]" 1
227 1 11 ILE HB 1 15 PHE QR 5.200 . 6.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
228 1 11 ILE HB 1 16 HIS HD2 3.000 . 4.100 3.869 3.869 3.869 . 0 0 "[ ]" 1
229 1 11 ILE HB 1 48 ASN HB3 2.600 . 3.400 2.065 2.065 2.065 . 0 0 "[ ]" 1
230 1 11 ILE HB 1 49 LEU HA 3.100 . 4.300 3.238 3.238 3.238 . 0 0 "[ ]" 1
231 1 11 ILE MD 1 11 ILE QG 1.900 . 2.400 1.812 1.812 1.812 . 0 0 "[ ]" 1
232 1 11 ILE MD 1 11 ILE MG 1.900 . 2.400 1.777 1.777 1.777 . 0 0 "[ ]" 1
233 1 11 ILE MD 1 15 PHE HB2 3.000 . 4.100 3.227 3.227 3.227 . 0 0 "[ ]" 1
234 1 11 ILE MD 1 16 HIS HD2 4.900 . 6.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
235 1 11 ILE MD 1 50 ILE MD 2.100 . 2.700 2.712 2.712 2.712 0.012 1 0 "[ ]" 1
236 1 11 ILE MD 1 50 ILE MD 2.400 . 3.100 2.791 2.791 2.791 . 0 0 "[ ]" 1
237 1 11 ILE QG 1 15 PHE QD 3.000 . 4.100 3.173 3.173 3.173 . 0 0 "[ ]" 1
238 1 11 ILE QG 1 12 ASP H 3.700 . 5.400 4.305 4.305 4.305 . 0 0 "[ ]" 1
239 1 11 ILE QG 1 50 ILE HG12 1.700 . 2.100 1.726 1.726 1.726 . 0 0 "[ ]" 1
240 1 11 ILE QG 1 15 PHE QR 4.200 . 6.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
241 1 11 ILE QG 1 16 HIS H 3.000 . 4.100 4.091 4.091 4.091 . 0 0 "[ ]" 1
242 1 11 ILE QG 1 16 HIS HD2 4.700 . 6.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
243 1 11 ILE QG 1 51 ARG H 3.000 . 4.100 4.173 4.173 4.173 0.073 1 0 "[ ]" 1
244 1 11 ILE QG 1 50 ILE H 2.300 . 3.000 1.997 1.997 1.997 . 0 0 "[ ]" 1
245 1 11 ILE QG 1 50 ILE MD 2.200 . 2.800 1.776 1.776 1.776 . 0 0 "[ ]" 1
246 1 11 ILE MG 1 12 ASP H 2.500 . 3.300 1.853 1.853 1.853 . 0 0 "[ ]" 1
247 1 11 ILE MG 1 12 ASP QB 3.000 . 4.100 3.858 3.858 3.858 . 0 0 "[ ]" 1
248 1 11 ILE MG 1 13 HIS H 2.700 . 3.600 3.494 3.494 3.494 . 0 0 "[ ]" 1
249 1 11 ILE MG 1 15 PHE HA 3.100 . 4.300 4.189 4.189 4.189 . 0 0 "[ ]" 1
250 1 11 ILE MG 1 15 PHE HB2 2.300 . 3.000 1.776 1.776 1.776 . 0 0 "[ ]" 1
251 1 11 ILE MG 1 15 PHE HB3 2.600 . 3.400 2.423 2.423 2.423 . 0 0 "[ ]" 1
252 1 11 ILE MG 1 15 PHE QD 2.300 . 3.000 2.858 2.858 2.858 . 0 0 "[ ]" 1
253 1 11 ILE MG 1 16 HIS HD2 2.300 . 3.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
254 1 11 ILE MG 1 19 LEU QD 2.900 . 4.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
255 1 11 ILE MG 1 50 ILE MD 2.600 . 3.400 3.132 3.132 3.132 . 0 0 "[ ]" 1
256 1 12 ASP H 1 12 ASP HA 3.000 . 4.100 2.918 2.918 2.918 . 0 0 "[ ]" 1
257 1 12 ASP H 1 12 ASP QB 2.200 . 2.800 2.670 2.670 2.670 . 0 0 "[ ]" 1
258 1 12 ASP H 1 15 PHE QR 4.700 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
259 1 12 ASP HA 1 12 ASP QB 2.400 . 3.100 2.533 2.533 2.533 . 0 0 "[ ]" 1
260 1 12 ASP HA 1 13 HIS H 2.500 . 3.300 2.698 2.698 2.698 . 0 0 "[ ]" 1
261 1 12 ASP HA 1 48 ASN HB2 2.500 . 3.300 1.986 1.986 1.986 . 0 0 "[ ]" 1
262 1 12 ASP HA 1 48 ASN HB2 2.500 . 3.300 1.988 1.988 1.988 . 0 0 "[ ]" 1
263 1 12 ASP HA 1 48 ASN HB3 3.100 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1
264 1 12 ASP HA 1 48 ASN HD21 3.000 . 4.100 3.267 3.267 3.267 . 0 0 "[ ]" 1
265 1 12 ASP QB 1 15 PHE H 6.000 . 6.000 6.020 6.020 6.020 0.020 1 0 "[ ]" 1
266 1 12 ASP QB 1 15 PHE QR 4.200 . 6.000 5.455 5.455 5.455 . 0 0 "[ ]" 1
267 1 13 HIS H 1 13 HIS HA 2.900 . 4.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
268 1 13 HIS H 1 13 HIS QB 2.600 . 3.400 2.043 2.043 2.043 . 0 0 "[ ]" 1
269 1 13 HIS H 1 14 LYS H 2.500 . 3.300 2.303 2.303 2.303 . 0 0 "[ ]" 1
270 1 13 HIS H 1 14 LYS QB 2.900 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
271 1 13 HIS HA 1 48 ASN HD21 2.800 . 3.800 3.672 3.672 3.672 . 0 0 "[ ]" 1
272 1 13 HIS QB 1 15 PHE QR 3.100 . 4.300 2.443 2.443 2.443 . 0 0 "[ ]" 1
273 1 14 LYS H 1 14 LYS HA 2.700 . 3.600 2.866 2.866 2.866 . 0 0 "[ ]" 1
274 1 14 LYS H 1 14 LYS QB 2.500 . 3.300 2.310 2.310 2.310 . 0 0 "[ ]" 1
275 1 14 LYS H 1 14 LYS QB 2.900 . 4.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
276 1 14 LYS H 1 14 LYS HG3 2.600 . 3.400 2.481 2.481 2.481 . 0 0 "[ ]" 1
277 1 14 LYS H 1 15 PHE QD 2.800 . 3.800 2.937 2.937 2.937 . 0 0 "[ ]" 1
278 1 14 LYS HA 1 14 LYS QB 2.200 . 2.800 2.410 2.410 2.410 . 0 0 "[ ]" 1
279 1 14 LYS HA 1 14 LYS HG2 3.000 . 4.100 2.531 2.531 2.531 . 0 0 "[ ]" 1
280 1 14 LYS HA 1 14 LYS HG3 2.300 . 3.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
281 1 14 LYS HA 1 14 LYS HG3 2.300 . 3.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
282 1 14 LYS HA 1 15 PHE H 3.500 . 5.000 2.500 2.500 2.500 . 0 0 "[ ]" 1
283 1 14 LYS HA 1 15 PHE H 2.400 . 3.100 2.351 2.351 2.351 . 0 0 "[ ]" 1
284 1 14 LYS QB 1 15 PHE H 6.000 . 6.300 3.660 3.660 3.660 . 0 0 "[ ]" 1
285 1 14 LYS QD 1 14 LYS QE 2.200 . 2.800 2.030 2.030 2.030 . 0 0 "[ ]" 1
286 1 14 LYS QD 1 14 LYS HG2 2.300 . 2.800 2.066 2.066 2.066 . 0 0 "[ ]" 1
287 1 14 LYS QE 1 14 LYS HG2 2.800 . 3.800 3.079 3.079 3.079 . 0 0 "[ ]" 1
288 1 14 LYS QE 1 14 LYS HG3 2.500 . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 1
289 1 14 LYS QG 1 15 PHE QR 5.000 . 6.000 5.521 5.521 5.521 . 0 0 "[ ]" 1
290 1 14 LYS HG2 1 14 LYS HG3 1.800 . 2.200 1.508 1.508 1.508 . 0 0 "[ ]" 1
291 1 14 LYS HG3 1 15 PHE H 2.800 . 3.800 2.936 2.936 2.936 . 0 0 "[ ]" 1
292 1 14 LYS HG3 1 15 PHE H 2.800 . 3.800 2.945 2.945 2.945 . 0 0 "[ ]" 1
293 1 14 LYS HG3 1 18 HIS H 2.600 . 3.400 3.229 3.229 3.229 . 0 0 "[ ]" 1
294 1 15 PHE H 1 15 PHE HB2 2.300 . 3.000 2.108 2.108 2.108 . 0 0 "[ ]" 1
295 1 15 PHE H 1 15 PHE HB3 2.800 . 3.800 3.374 3.374 3.374 . 0 0 "[ ]" 1
296 1 15 PHE H 1 15 PHE QD 2.700 . 3.600 3.019 3.019 3.019 . 0 0 "[ ]" 1
297 1 15 PHE H 1 16 HIS H 2.900 . 4.000 2.455 2.455 2.455 . 0 0 "[ ]" 1
298 1 15 PHE H 1 16 HIS H 2.200 . 2.800 2.250 2.250 2.250 . 0 0 "[ ]" 1
299 1 15 PHE H 1 16 HIS HD2 3.000 . 4.100 3.749 3.749 3.749 . 0 0 "[ ]" 1
300 1 15 PHE HA 1 15 PHE HB2 3.000 . 4.100 2.929 2.929 2.929 . 0 0 "[ ]" 1
301 1 15 PHE HA 1 15 PHE HB3 2.600 . 3.400 2.740 2.740 2.740 . 0 0 "[ ]" 1
302 1 15 PHE HA 1 15 PHE QD 2.400 . 3.100 2.331 2.331 2.331 . 0 0 "[ ]" 1
303 1 15 PHE HA 1 16 HIS H 3.800 . 5.600 3.551 3.551 3.551 . 0 0 "[ ]" 1
304 1 15 PHE HA 1 16 HIS HD2 7.500 . 7.800 4.848 4.848 4.848 . 0 0 "[ ]" 1
305 1 15 PHE HA 1 18 HIS HB2 2.600 . 3.400 2.673 2.673 2.673 . 0 0 "[ ]" 1
306 1 15 PHE HA 1 18 HIS HD2 7.500 . 7.800 3.786 3.786 3.786 . 0 0 "[ ]" 1
307 1 15 PHE HA 1 19 LEU QD 2.400 . 3.100 3.055 3.055 3.055 . 0 0 "[ ]" 1
308 1 15 PHE HB2 1 15 PHE QD 2.300 . 3.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
309 1 15 PHE HB2 1 16 HIS H 4.200 . 6.000 2.740 2.740 2.740 . 0 0 "[ ]" 1
310 1 15 PHE HB2 1 16 HIS H 2.500 . 3.300 2.658 2.658 2.658 . 0 0 "[ ]" 1
311 1 15 PHE HB2 1 16 HIS HD2 2.800 . 3.800 2.890 2.890 2.890 . 0 0 "[ ]" 1
312 1 15 PHE HB2 1 70 ALA MB 2.900 . 4.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
313 1 15 PHE HB2 1 18 HIS HD2 7.500 . 7.800 6.401 6.401 6.401 . 0 0 "[ ]" 1
314 1 15 PHE HB2 1 19 LEU MD1 2.700 . 3.600 3.563 3.563 3.563 . 0 0 "[ ]" 1
315 1 15 PHE HB3 1 15 PHE QD 2.400 . 3.100 2.311 2.311 2.311 . 0 0 "[ ]" 1
316 1 15 PHE HB3 1 16 HIS H 4.000 . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
317 1 15 PHE HB3 1 16 HIS HA 3.100 . 4.300 3.850 3.850 3.850 . 0 0 "[ ]" 1
318 1 15 PHE HB3 1 19 LEU MD1 2.600 . 3.400 2.054 2.054 2.054 . 0 0 "[ ]" 1
319 1 15 PHE HB3 1 40 ILE MD 3.000 . 4.100 3.939 3.939 3.939 . 0 0 "[ ]" 1
320 1 15 PHE QR 1 16 HIS HD2 7.000 . 7.300 4.486 4.486 4.486 . 0 0 "[ ]" 1
321 1 15 PHE QR 1 18 HIS HB3 5.000 . 5.300 5.085 5.085 5.085 . 0 0 "[ ]" 1
322 1 15 PHE QR 1 18 HIS HD2 6.000 . 6.300 4.099 4.099 4.099 . 0 0 "[ ]" 1
323 1 15 PHE QR 1 19 LEU MD2 4.400 . 4.700 4.076 4.076 4.076 . 0 0 "[ ]" 1
324 1 15 PHE QR 1 40 ILE MD 4.400 . 4.700 4.726 4.726 4.726 0.026 1 0 "[ ]" 1
325 1 15 PHE QR 1 70 ALA HA 5.000 . 5.300 3.721 3.721 3.721 . 0 0 "[ ]" 1
326 1 15 PHE QR 1 70 ALA MB 2.500 . 3.300 1.889 1.889 1.889 . 0 0 "[ ]" 1
327 1 15 PHE QD 1 19 LEU QD 2.600 . 3.400 2.594 2.594 2.594 . 0 0 "[ ]" 1
328 1 16 HIS H 1 16 HIS HA 2.600 . 3.400 2.729 2.729 2.729 . 0 0 "[ ]" 1
329 1 16 HIS H 1 16 HIS HB2 2.700 . 3.600 2.505 2.505 2.505 . 0 0 "[ ]" 1
330 1 16 HIS H 1 16 HIS HB3 3.200 . 4.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
331 1 16 HIS H 1 16 HIS HB3 2.700 . 3.600 3.484 3.484 3.484 . 0 0 "[ ]" 1
332 1 16 HIS H 1 16 HIS HD2 2.400 . 3.100 1.987 1.987 1.987 . 0 0 "[ ]" 1
333 1 16 HIS H 1 40 ILE MG 2.700 . 3.600 3.165 3.165 3.165 . 0 0 "[ ]" 1
334 1 16 HIS H 1 40 ILE MD 2.900 . 4.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
335 1 16 HIS H 1 40 ILE MG 2.700 . 3.600 3.233 3.233 3.233 . 0 0 "[ ]" 1
336 1 16 HIS H 1 17 ARG H 3.700 . 5.400 3.255 3.255 3.255 . 0 0 "[ ]" 1
337 1 16 HIS H 1 19 LEU QB 5.000 . 5.300 4.677 4.677 4.677 . 0 0 "[ ]" 1
338 1 16 HIS H 1 19 LEU MD1 5.000 . 5.300 3.609 3.609 3.609 . 0 0 "[ ]" 1
339 1 16 HIS H 1 19 LEU QD 2.800 . 3.800 3.587 3.587 3.587 . 0 0 "[ ]" 1
340 1 16 HIS HA 1 16 HIS HB2 2.800 . 3.800 3.014 3.014 3.014 . 0 0 "[ ]" 1
341 1 16 HIS HA 1 16 HIS HB3 2.500 . 3.300 2.505 2.505 2.505 . 0 0 "[ ]" 1
342 1 16 HIS HA 1 16 HIS HD2 2.400 . 3.100 2.940 2.940 2.940 . 0 0 "[ ]" 1
343 1 16 HIS HA 1 17 ARG H 3.800 . 5.600 3.562 3.562 3.562 . 0 0 "[ ]" 1
344 1 16 HIS HA 1 19 LEU H 3.700 . 5.400 3.651 3.651 3.651 . 0 0 "[ ]" 1
345 1 16 HIS HA 1 19 LEU H 2.800 . 3.800 2.527 2.527 2.527 . 0 0 "[ ]" 1
346 1 16 HIS HA 1 19 LEU QB 2.500 . 3.300 2.730 2.730 2.730 . 0 0 "[ ]" 1
347 1 16 HIS HA 1 19 LEU MD1 2.400 . 3.100 2.850 2.850 2.850 . 0 0 "[ ]" 1
348 1 16 HIS HA 1 19 LEU HG 3.000 . 4.100 3.063 3.063 3.063 . 0 0 "[ ]" 1
349 1 16 HIS HA 1 40 ILE QG 2.800 . 3.800 3.097 3.097 3.097 . 0 0 "[ ]" 1
350 1 16 HIS HB2 1 17 ARG HB3 3.100 . 4.300 3.911 3.911 3.911 . 0 0 "[ ]" 1
351 1 16 HIS HB2 1 17 ARG H 3.000 . 4.100 2.029 2.029 2.029 . 0 0 "[ ]" 1
352 1 16 HIS HB2 1 40 ILE MD 2.900 . 4.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
353 1 16 HIS HB3 1 17 ARG H 2.700 . 3.600 2.873 2.873 2.873 . 0 0 "[ ]" 1
354 1 16 HIS HB3 1 17 ARG HA 3.000 . 4.100 4.098 4.098 4.098 . 0 0 "[ ]" 1
355 1 16 HIS HB3 1 42 PRO HD3 3.100 . 4.300 3.290 3.290 3.290 . 0 0 "[ ]" 1
356 1 16 HIS HB3 1 48 ASN HD22 3.000 . 4.100 3.640 3.640 3.640 . 0 0 "[ ]" 1
357 1 16 HIS HD2 1 17 ARG H 7.500 . 7.800 4.843 4.843 4.843 . 0 0 "[ ]" 1
358 1 16 HIS HD2 1 19 LEU MD1 2.900 . 4.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
359 1 16 HIS HD2 1 19 LEU MD2 6.700 . 7.000 6.143 6.143 6.143 . 0 0 "[ ]" 1
360 1 16 HIS HD2 1 40 ILE MD 5.500 . 5.800 2.964 2.964 2.964 . 0 0 "[ ]" 1
361 1 16 HIS HD2 1 50 ILE MD 2.600 . 3.400 3.061 3.061 3.061 . 0 0 "[ ]" 1
362 1 16 HIS HE1 1 40 ILE MD 2.900 . 4.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
363 1 16 HIS HE1 1 40 ILE MD 2.900 . 4.000 4.032 4.032 4.032 0.032 1 0 "[ ]" 1
364 1 16 HIS HE1 1 41 PRO QB 2.700 . 3.600 3.426 3.426 3.426 . 0 0 "[ ]" 1
365 1 16 HIS HE1 1 41 PRO HD2 2.600 . 3.400 2.402 2.402 2.402 . 0 0 "[ ]" 1
366 1 16 HIS HE1 1 41 PRO HD3 2.900 . 4.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
367 1 16 HIS HE1 1 41 PRO QG 2.900 . 4.000 1.945 1.945 1.945 . 0 0 "[ ]" 1
368 1 16 HIS HE1 1 48 ASN HA 4.100 . 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
369 1 16 HIS HE1 1 50 ILE MD 6.000 . 6.000 5.121 5.121 5.121 . 0 0 "[ ]" 1
370 1 17 ARG H 1 17 ARG HA 2.900 . 4.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
371 1 17 ARG H 1 17 ARG HB2 3.000 . 4.100 2.368 2.368 2.368 . 0 0 "[ ]" 1
372 1 17 ARG H 1 17 ARG HB3 2.200 . 2.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
373 1 17 ARG H 1 40 ILE MG 2.600 . 3.400 3.234 3.234 3.234 . 0 0 "[ ]" 1
374 1 17 ARG HA 1 17 ARG HB3 2.200 . 2.800 2.737 2.737 2.737 . 0 0 "[ ]" 1
375 1 17 ARG HA 1 18 HIS H 3.500 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
376 1 17 ARG HA 1 18 HIS H 3.100 . 4.300 3.388 3.388 3.388 . 0 0 "[ ]" 1
377 1 17 ARG HA 1 20 ILE H 3.100 . 4.300 3.976 3.976 3.976 . 0 0 "[ ]" 1
378 1 17 ARG HA 1 20 ILE MD 2.300 . 3.000 2.449 2.449 2.449 . 0 0 "[ ]" 1
379 1 17 ARG HA 1 20 ILE MD 2.200 . 2.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
380 1 17 ARG HA 1 20 ILE QG 3.000 . 4.100 1.933 1.933 1.933 . 0 0 "[ ]" 1
381 1 17 ARG HA 1 21 GLY H 2.700 . 3.600 2.761 2.761 2.761 . 0 0 "[ ]" 1
382 1 17 ARG HA 1 21 GLY H 2.500 . 3.300 2.519 2.519 2.519 . 0 0 "[ ]" 1
383 1 17 ARG QB 1 18 HIS H 4.000 . 6.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
384 1 17 ARG HB3 1 18 HIS HA 2.600 . 3.400 2.933 2.933 2.933 . 0 0 "[ ]" 1
385 1 18 HIS H 1 18 HIS HA 2.900 . 4.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
386 1 18 HIS H 1 18 HIS HB2 2.900 . 4.000 2.110 2.110 2.110 . 0 0 "[ ]" 1
387 1 18 HIS H 1 18 HIS HB3 2.800 . 3.800 3.429 3.429 3.429 . 0 0 "[ ]" 1
388 1 18 HIS HA 1 18 HIS HB2 2.500 . 3.300 2.934 2.934 2.934 . 0 0 "[ ]" 1
389 1 18 HIS HA 1 18 HIS HB3 2.500 . 3.300 2.732 2.732 2.732 . 0 0 "[ ]" 1
390 1 18 HIS HA 1 19 LEU H 2.900 . 4.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
391 1 18 HIS HA 1 21 GLY H 4.000 . 6.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
392 1 18 HIS HB2 1 18 HIS HD2 2.800 . 3.800 2.802 2.802 2.802 . 0 0 "[ ]" 1
393 1 18 HIS HB2 1 19 LEU H 2.700 . 3.600 2.799 2.799 2.799 . 0 0 "[ ]" 1
394 1 18 HIS HB2 1 19 LEU QD 2.900 . 4.000 4.025 4.025 4.025 0.025 1 0 "[ ]" 1
395 1 18 HIS HB3 1 18 HIS HD2 2.700 . 3.600 3.462 3.462 3.462 . 0 0 "[ ]" 1
396 1 18 HIS HB3 1 19 LEU H 2.700 . 3.600 2.982 2.982 2.982 . 0 0 "[ ]" 1
397 1 18 HIS HB3 1 19 LEU QD 3.000 . 4.100 4.091 4.091 4.091 . 0 0 "[ ]" 1
398 1 19 LEU H 1 19 LEU HA 2.900 . 4.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
399 1 19 LEU H 1 19 LEU HA 2.500 . 3.300 2.793 2.793 2.793 . 0 0 "[ ]" 1
400 1 19 LEU H 1 19 LEU QB 2.900 . 4.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
401 1 19 LEU H 1 19 LEU QB 2.100 . 2.700 2.159 2.159 2.159 . 0 0 "[ ]" 1
402 1 19 LEU H 1 19 LEU MD1 3.500 . 5.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
403 1 19 LEU H 1 19 LEU QD 2.500 . 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 1
404 1 19 LEU H 1 19 LEU HG 2.500 . 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 1
405 1 19 LEU H 1 20 ILE H 2.300 . 3.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
406 1 19 LEU HA 1 19 LEU QB 2.400 . 3.100 2.437 2.437 2.437 . 0 0 "[ ]" 1
407 1 19 LEU HA 1 19 LEU QD 1.900 . 2.400 2.412 2.412 2.412 0.012 1 0 "[ ]" 1
408 1 19 LEU HA 1 20 ILE H 3.800 . 5.600 3.576 3.576 3.576 . 0 0 "[ ]" 1
409 1 19 LEU HA 1 20 ILE H 3.000 . 4.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
410 1 19 LEU HA 1 26 ASN HD21 2.400 . 3.100 1.945 1.945 1.945 . 0 0 "[ ]" 1
411 1 19 LEU HA 1 21 GLY H 2.600 . 3.400 2.420 2.420 2.420 . 0 0 "[ ]" 1
412 1 19 LEU QB 1 20 ILE H 2.100 . 2.700 2.251 2.251 2.251 . 0 0 "[ ]" 1
413 1 19 LEU QB 1 40 ILE MD 1.800 . 2.200 1.740 1.740 1.740 . 0 0 "[ ]" 1
414 1 19 LEU QB 1 26 ASN HB3 3.100 . 4.300 3.894 3.894 3.894 . 0 0 "[ ]" 1
415 1 19 LEU QB 1 26 ASN HD21 2.100 . 2.700 2.507 2.507 2.507 . 0 0 "[ ]" 1
416 1 19 LEU QB 1 50 ILE MD 3.000 . 4.100 3.794 3.794 3.794 . 0 0 "[ ]" 1
417 1 19 LEU QD 1 19 LEU HG 2.000 . 2.500 1.756 1.756 1.756 . 0 0 "[ ]" 1
418 1 19 LEU QD 1 21 GLY H 2.900 . 4.000 2.531 2.531 2.531 . 0 0 "[ ]" 1
419 1 19 LEU QD 1 26 ASN HB2 2.800 . 3.800 3.387 3.387 3.387 . 0 0 "[ ]" 1
420 1 19 LEU QD 1 50 ILE MD 2.000 . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
421 1 19 LEU QD 1 70 ALA HA 2.800 . 3.800 2.650 2.650 2.650 . 0 0 "[ ]" 1
422 1 19 LEU MD1 1 50 ILE MD 2.200 . 2.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
423 1 19 LEU HG 1 20 ILE HA 3.000 . 4.100 4.116 4.116 4.116 0.016 1 0 "[ ]" 1
424 1 19 LEU HG 1 21 GLY H 3.000 . 4.100 3.767 3.767 3.767 . 0 0 "[ ]" 1
425 1 20 ILE H 1 20 ILE MD 2.700 . 3.600 3.532 3.532 3.532 . 0 0 "[ ]" 1
426 1 20 ILE H 1 20 ILE HA 2.900 . 4.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
427 1 20 ILE H 1 20 ILE HA 2.200 . 2.800 2.455 2.455 2.455 . 0 0 "[ ]" 1
428 1 20 ILE H 1 20 ILE HB 2.800 . 3.800 3.587 3.587 3.587 . 0 0 "[ ]" 1
429 1 20 ILE H 1 20 ILE MD 5.200 . 6.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
430 1 20 ILE H 1 20 ILE MD 2.700 . 3.600 3.561 3.561 3.561 . 0 0 "[ ]" 1
431 1 20 ILE H 1 20 ILE QG 2.500 . 3.300 2.371 2.371 2.371 . 0 0 "[ ]" 1
432 1 20 ILE H 1 20 ILE MG 2.300 . 3.000 1.931 1.931 1.931 . 0 0 "[ ]" 1
433 1 20 ILE H 1 21 GLY H 4.200 . 6.000 2.739 2.739 2.739 . 0 0 "[ ]" 1
434 1 20 ILE H 1 40 ILE MG 2.800 . 3.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
435 1 20 ILE H 1 40 ILE MD 6.500 . 6.800 4.044 4.044 4.044 . 0 0 "[ ]" 1
436 1 20 ILE H 1 40 ILE MG 6.000 . 6.300 3.760 3.760 3.760 . 0 0 "[ ]" 1
437 1 20 ILE HA 1 40 ILE MD 2.800 . 3.800 3.127 3.127 3.127 . 0 0 "[ ]" 1
438 1 20 ILE HA 1 40 ILE MD 2.800 . 3.800 3.256 3.256 3.256 . 0 0 "[ ]" 1
439 1 20 ILE HA 1 20 ILE HB 2.100 . 2.700 2.125 2.125 2.125 . 0 0 "[ ]" 1
440 1 20 ILE HA 1 20 ILE MD 3.000 . 4.100 4.013 4.013 4.013 . 0 0 "[ ]" 1
441 1 20 ILE HA 1 20 ILE MG 3.100 . 4.300 2.378 2.378 2.378 . 0 0 "[ ]" 1
442 1 20 ILE HA 1 20 ILE MG 2.400 . 3.100 2.108 2.108 2.108 . 0 0 "[ ]" 1
443 1 20 ILE HA 1 20 ILE MG 2.500 . 3.300 1.991 1.991 1.991 . 0 0 "[ ]" 1
444 1 20 ILE HA 1 21 GLY H 3.700 . 5.400 3.463 3.463 3.463 . 0 0 "[ ]" 1
445 1 20 ILE HA 1 21 GLY H 2.700 . 3.600 3.121 3.121 3.121 . 0 0 "[ ]" 1
446 1 20 ILE HA 1 21 GLY H 2.700 . 3.600 3.043 3.043 3.043 . 0 0 "[ ]" 1
447 1 20 ILE HA 1 27 ILE H 3.100 . 4.300 2.661 2.661 2.661 . 0 0 "[ ]" 1
448 1 20 ILE HA 1 27 ILE MD 2.900 . 4.000 1.920 1.920 1.920 . 0 0 "[ ]" 1
449 1 20 ILE HA 1 27 ILE MD 2.700 . 3.600 1.921 1.921 1.921 . 0 0 "[ ]" 1
450 1 20 ILE HA 1 27 ILE MG 3.700 . 4.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
451 1 20 ILE HA 1 40 ILE MG 2.500 . 3.300 3.117 3.117 3.117 . 0 0 "[ ]" 1
452 1 20 ILE HB 1 20 ILE MD 1.800 . 2.200 1.680 1.680 1.680 . 0 0 "[ ]" 1
453 1 20 ILE HB 1 20 ILE QG 2.200 . 2.800 2.485 2.485 2.485 . 0 0 "[ ]" 1
454 1 20 ILE HB 1 21 GLY H 4.500 . 6.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
455 1 20 ILE MD 1 20 ILE MG 1.900 . 2.400 2.407 2.407 2.407 0.007 1 0 "[ ]" 1
456 1 20 ILE MD 1 20 ILE MG 1.900 . 2.400 1.645 1.645 1.645 . 0 0 "[ ]" 1
457 1 20 ILE MD 1 21 GLY H 2.200 . 2.800 2.554 2.554 2.554 . 0 0 "[ ]" 1
458 1 20 ILE MD 1 24 GLY HA2 3.500 . 3.800 3.490 3.490 3.490 . 0 0 "[ ]" 1
459 1 20 ILE MD 1 24 GLY HA3 3.400 . 3.700 3.745 3.745 3.745 0.045 1 0 "[ ]" 1
460 1 20 ILE MD 1 24 GLY HA3 2.600 . 3.400 3.123 3.123 3.123 . 0 0 "[ ]" 1
461 1 20 ILE MD 1 24 GLY HA3 2.600 . 3.400 3.162 3.162 3.162 . 0 0 "[ ]" 1
462 1 20 ILE MD 1 42 PRO HG3 2.600 . 3.400 2.895 2.895 2.895 . 0 0 "[ ]" 1
463 1 20 ILE MD 1 40 ILE MG 1.800 . 1.900 1.827 1.827 1.827 . 0 0 "[ ]" 1
464 1 20 ILE QG 1 21 GLY QA 2.900 . 4.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
465 1 20 ILE MG 1 21 GLY H 2.300 . 3.000 3.248 3.248 3.248 0.248 1 0 "[ ]" 1
466 1 20 ILE MG 1 27 ILE H 3.000 . 4.100 2.848 2.848 2.848 . 0 0 "[ ]" 1
467 1 20 ILE MG 1 27 ILE HB 3.000 . 4.100 3.412 3.412 3.412 . 0 0 "[ ]" 1
468 1 20 ILE MG 1 27 ILE HB 3.000 . 3.800 3.459 3.459 3.459 . 0 0 "[ ]" 1
469 1 20 ILE MG 1 27 ILE HB 3.000 . 4.100 3.398 3.398 3.398 . 0 0 "[ ]" 1
470 1 20 ILE MG 1 40 ILE MG 2.000 . 2.400 1.951 1.951 1.951 . 0 0 "[ ]" 1
471 1 20 ILE MG 1 40 ILE QG 2.100 . 2.700 1.968 1.968 1.968 . 0 0 "[ ]" 1
472 1 20 ILE MG 1 40 ILE MG 2.100 . 2.700 2.037 2.037 2.037 . 0 0 "[ ]" 1
473 1 21 GLY H 1 21 GLY QA 2.600 . 3.400 2.212 2.212 2.212 . 0 0 "[ ]" 1
474 1 21 GLY QA 1 26 ASN H 5.000 . 5.300 4.338 4.338 4.338 . 0 0 "[ ]" 1
475 1 23 SER HA 1 23 SER QB 3.100 . 4.300 2.155 2.155 2.155 . 0 0 "[ ]" 1
476 1 23 SER HA 1 24 GLY H 3.800 . 5.600 2.850 2.850 2.850 . 0 0 "[ ]" 1
477 1 24 GLY HA2 1 27 ILE MG 3.100 . 4.300 3.489 3.489 3.489 . 0 0 "[ ]" 1
478 1 24 GLY HA3 1 25 ALA H 3.700 . 5.400 3.346 3.346 3.346 . 0 0 "[ ]" 1
479 1 24 GLY HA3 1 26 ASN H 3.700 . 5.400 5.311 5.311 5.311 . 0 0 "[ ]" 1
480 1 24 GLY HA3 1 27 ILE MD 2.900 . 4.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
481 1 24 GLY HA3 1 27 ILE MD 3.000 . 4.100 2.741 2.741 2.741 . 0 0 "[ ]" 1
482 1 25 ALA HA 1 25 ALA MB 2.000 . 2.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
483 1 25 ALA HA 1 26 ASN H 3.700 . 5.400 3.553 3.553 3.553 . 0 0 "[ ]" 1
484 1 25 ALA HA 1 27 ILE MD 3.200 . 4.500 3.105 3.105 3.105 . 0 0 "[ ]" 1
485 1 25 ALA HA 1 28 ASN H 3.700 . 5.400 3.619 3.619 3.619 . 0 0 "[ ]" 1
486 1 25 ALA HA 1 28 ASN HB3 2.800 . 3.800 3.605 3.605 3.605 . 0 0 "[ ]" 1
487 1 25 ALA MB 1 26 ASN HA 3.200 . 4.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
488 1 26 ASN H 1 26 ASN HB2 3.000 . 4.100 2.263 2.263 2.263 . 0 0 "[ ]" 1
489 1 26 ASN H 1 26 ASN HB3 2.700 . 3.600 3.537 3.537 3.537 . 0 0 "[ ]" 1
490 1 26 ASN H 1 27 ILE H 4.200 . 6.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
491 1 26 ASN HA 1 26 ASN HB2 2.600 . 3.400 2.989 2.989 2.989 . 0 0 "[ ]" 1
492 1 26 ASN HA 1 27 ILE H 3.700 . 5.400 3.527 3.527 3.527 . 0 0 "[ ]" 1
493 1 26 ASN HA 1 27 ILE H 3.100 . 4.300 3.352 3.352 3.352 . 0 0 "[ ]" 1
494 1 26 ASN HA 1 29 ARG H 3.500 . 5.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
495 1 26 ASN HA 1 29 ARG QB 2.400 . 3.100 2.168 2.168 2.168 . 0 0 "[ ]" 1
496 1 26 ASN HB2 1 26 ASN HD21 3.300 . 4.700 2.580 2.580 2.580 . 0 0 "[ ]" 1
497 1 26 ASN HB2 1 27 ILE H 2.800 . 3.800 2.819 2.819 2.819 . 0 0 "[ ]" 1
498 1 26 ASN HB3 1 26 ASN HD21 2.800 . 3.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
499 1 26 ASN HB3 1 27 ILE H 2.700 . 3.600 3.433 3.433 3.433 . 0 0 "[ ]" 1
500 1 26 ASN HD22 1 30 ILE MD 3.000 . 4.100 4.115 4.115 4.115 0.015 1 0 "[ ]" 1
501 1 27 ILE H 1 27 ILE HA 3.000 . 4.100 2.764 2.764 2.764 . 0 0 "[ ]" 1
502 1 27 ILE H 1 27 ILE HB 3.500 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
503 1 27 ILE H 1 27 ILE HB 2.100 . 2.700 2.367 2.367 2.367 . 0 0 "[ ]" 1
504 1 27 ILE H 1 27 ILE MD 3.600 . 5.200 3.613 3.613 3.613 . 0 0 "[ ]" 1
505 1 27 ILE H 1 27 ILE MG 2.500 . 3.300 2.068 2.068 2.068 . 0 0 "[ ]" 1
506 1 27 ILE H 1 28 ASN H 2.400 . 3.100 2.752 2.752 2.752 . 0 0 "[ ]" 1
507 1 27 ILE HA 1 27 ILE HB 2.100 . 2.700 2.450 2.450 2.450 . 0 0 "[ ]" 1
508 1 27 ILE HA 1 27 ILE HB 2.000 . 2.500 2.086 2.086 2.086 . 0 0 "[ ]" 1
509 1 27 ILE HA 1 27 ILE MD 3.000 . 4.100 4.127 4.127 4.127 0.027 1 0 "[ ]" 1
510 1 27 ILE HA 1 27 ILE MG 3.000 . 4.100 2.297 2.297 2.297 . 0 0 "[ ]" 1
511 1 27 ILE HA 1 28 ASN H 3.500 . 5.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
512 1 27 ILE HA 1 30 ILE H 3.700 . 5.400 3.981 3.981 3.981 . 0 0 "[ ]" 1
513 1 27 ILE HA 1 31 LYS H 2.600 . 3.400 1.919 1.919 1.919 . 0 0 "[ ]" 1
514 1 27 ILE HA 1 38 VAL MG2 2.900 . 4.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
515 1 27 ILE HB 1 27 ILE MD 2.200 . 2.800 2.095 2.095 2.095 . 0 0 "[ ]" 1
516 1 27 ILE HB 1 27 ILE MD 2.200 . 2.800 2.044 2.044 2.044 . 0 0 "[ ]" 1
517 1 27 ILE HB 1 27 ILE MG 2.100 . 2.700 2.130 2.130 2.130 . 0 0 "[ ]" 1
518 1 27 ILE HB 1 28 ASN H 3.300 . 4.700 3.860 3.860 3.860 . 0 0 "[ ]" 1
519 1 27 ILE HB 1 39 ARG HA 2.800 . 3.800 3.073 3.073 3.073 . 0 0 "[ ]" 1
520 1 27 ILE MD 1 27 ILE MG 2.100 . 2.700 2.068 2.068 2.068 . 0 0 "[ ]" 1
521 1 27 ILE MG 1 28 ASN H 3.300 . 4.700 3.940 3.940 3.940 . 0 0 "[ ]" 1
522 1 27 ILE MG 1 28 ASN HA 6.000 . 6.300 5.466 5.466 5.466 . 0 0 "[ ]" 1
523 1 27 ILE MG 1 38 VAL HB 2.300 . 3.000 3.032 3.032 3.032 0.032 1 0 "[ ]" 1
524 1 27 ILE MG 1 40 ILE HA 2.800 . 3.800 2.629 2.629 2.629 . 0 0 "[ ]" 1
525 1 28 ASN H 1 28 ASN HA 2.400 . 3.100 2.908 2.908 2.908 . 0 0 "[ ]" 1
526 1 28 ASN H 1 28 ASN HB2 2.300 . 3.000 2.285 2.285 2.285 . 0 0 "[ ]" 1
527 1 28 ASN H 1 28 ASN HB3 2.700 . 3.600 2.943 2.943 2.943 . 0 0 "[ ]" 1
528 1 28 ASN H 1 29 ARG H 2.600 . 3.400 2.310 2.310 2.310 . 0 0 "[ ]" 1
529 1 28 ASN HA 1 29 ARG HG2 2.900 . 4.000 4.244 4.244 4.244 0.244 1 0 "[ ]" 1
530 1 28 ASN HA 1 28 ASN HB2 2.300 . 3.000 2.705 2.705 2.705 . 0 0 "[ ]" 1
531 1 28 ASN HA 1 28 ASN HB3 2.500 . 3.300 2.955 2.955 2.955 . 0 0 "[ ]" 1
532 1 28 ASN HA 1 29 ARG H 3.700 . 5.400 3.508 3.508 3.508 . 0 0 "[ ]" 1
533 1 28 ASN HA 1 31 LYS H 3.500 . 5.000 3.433 3.433 3.433 . 0 0 "[ ]" 1
534 1 28 ASN HA 1 31 LYS QB 2.900 . 4.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
535 1 28 ASN HA 1 32 ASP H 3.200 . 4.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
536 1 28 ASN HB2 1 28 ASN HD21 3.300 . 4.700 2.501 2.501 2.501 . 0 0 "[ ]" 1
537 1 28 ASN HB2 1 29 ARG H 2.700 . 3.600 3.566 3.566 3.566 . 0 0 "[ ]" 1
538 1 28 ASN HB3 1 28 ASN HD21 2.800 . 3.800 3.558 3.558 3.558 . 0 0 "[ ]" 1
539 1 28 ASN HB3 1 29 ARG H 2.700 . 3.600 2.873 2.873 2.873 . 0 0 "[ ]" 1
540 1 29 ARG H 1 29 ARG QB 2.300 . 3.000 2.131 2.131 2.131 . 0 0 "[ ]" 1
541 1 29 ARG H 1 30 ILE H 2.500 . 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 1
542 1 29 ARG HA 1 29 ARG QB 2.300 . 3.000 1.797 1.797 1.797 . 0 0 "[ ]" 1
543 1 29 ARG HA 1 29 ARG HG2 2.700 . 3.600 3.599 3.599 3.599 . 0 0 "[ ]" 1
544 1 29 ARG HA 1 29 ARG HG3 2.000 . 2.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
545 1 29 ARG HA 1 30 ILE H 3.800 . 5.600 3.554 3.554 3.554 . 0 0 "[ ]" 1
546 1 29 ARG HA 1 30 ILE HA 3.300 . 4.700 4.233 4.233 4.233 . 0 0 "[ ]" 1
547 1 29 ARG HA 1 32 ASP H 2.800 . 3.800 3.292 3.292 3.292 . 0 0 "[ ]" 1
548 1 29 ARG HA 1 32 ASP H 3.700 . 5.400 4.036 4.036 4.036 . 0 0 "[ ]" 1
549 1 29 ARG QB 1 29 ARG HG3 1.700 . 2.100 2.130 2.130 2.130 0.030 1 0 "[ ]" 1
550 1 29 ARG QB 1 30 ILE HA 2.400 . 3.100 2.261 2.261 2.261 . 0 0 "[ ]" 1
551 1 29 ARG QB 1 30 ILE MD 2.400 . 3.100 1.922 1.922 1.922 . 0 0 "[ ]" 1
552 1 29 ARG HG2 1 30 ILE HA 2.800 . 3.800 2.069 2.069 2.069 . 0 0 "[ ]" 1
553 1 30 ILE H 1 30 ILE HA 2.400 . 3.100 2.882 2.882 2.882 . 0 0 "[ ]" 1
554 1 30 ILE H 1 30 ILE HA 2.400 . 3.100 2.740 2.740 2.740 . 0 0 "[ ]" 1
555 1 30 ILE H 1 30 ILE HB 2.100 . 2.700 2.451 2.451 2.451 . 0 0 "[ ]" 1
556 1 30 ILE H 1 30 ILE HB 2.200 . 2.800 2.351 2.351 2.351 . 0 0 "[ ]" 1
557 1 30 ILE H 1 30 ILE MD 2.600 . 3.400 1.884 1.884 1.884 . 0 0 "[ ]" 1
558 1 30 ILE H 1 30 ILE QG 2.600 . 3.400 2.966 2.966 2.966 . 0 0 "[ ]" 1
559 1 30 ILE H 1 30 ILE MG 3.100 . 4.300 3.749 3.749 3.749 . 0 0 "[ ]" 1
560 1 30 ILE H 1 31 LYS H 2.300 . 3.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
561 1 30 ILE H 1 31 LYS HG3 2.900 . 4.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
562 1 30 ILE HA 1 30 ILE HB 2.400 . 3.100 3.017 3.017 3.017 . 0 0 "[ ]" 1
563 1 30 ILE HA 1 30 ILE MD 2.500 . 3.300 3.300 3.300 3.300 . 1 0 "[ ]" 1
564 1 30 ILE HA 1 30 ILE QG 2.900 . 4.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
565 1 30 ILE HA 1 30 ILE QG 1.900 . 2.400 1.953 1.953 1.953 . 0 0 "[ ]" 1
566 1 30 ILE HA 1 30 ILE QG 2.000 . 2.500 1.963 1.963 1.963 . 0 0 "[ ]" 1
567 1 30 ILE HA 1 30 ILE MG 2.100 . 2.700 2.390 2.390 2.390 . 0 0 "[ ]" 1
568 1 30 ILE HA 1 31 LYS H 3.400 . 4.800 3.556 3.556 3.556 . 0 0 "[ ]" 1
569 1 30 ILE HA 1 31 LYS HG2 3.200 . 4.500 4.259 4.259 4.259 . 0 0 "[ ]" 1
570 1 30 ILE HA 1 33 GLN H 3.700 . 5.400 3.167 3.167 3.167 . 0 0 "[ ]" 1
571 1 30 ILE HA 1 33 GLN H 2.600 . 3.400 2.588 2.588 2.588 . 0 0 "[ ]" 1
572 1 30 ILE HA 1 34 TYR H 6.500 . 6.800 2.817 2.817 2.817 . 0 0 "[ ]" 1
573 1 30 ILE HA 1 34 TYR QD 2.300 . 3.000 2.211 2.211 2.211 . 0 0 "[ ]" 1
574 1 30 ILE HA 1 34 TYR QE 4.200 . 6.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
575 1 30 ILE HA 1 34 TYR QE 2.600 . 3.400 3.397 3.397 3.397 . 0 0 "[ ]" 1
576 1 30 ILE HA 1 36 VAL MG2 3.100 . 4.300 3.775 3.775 3.775 . 0 0 "[ ]" 1
577 1 30 ILE MD 1 30 ILE QG 2.100 . 2.700 1.889 1.889 1.889 . 0 0 "[ ]" 1
578 1 30 ILE MD 1 34 TYR QD 4.700 . 6.000 4.612 4.612 4.612 . 0 0 "[ ]" 1
579 1 30 ILE QG 1 31 LYS H 5.000 . 6.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
580 1 30 ILE QG 1 34 TYR QD 2.200 . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
581 1 30 ILE QG 1 34 TYR QE 2.500 . 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 1
582 1 30 ILE QG 1 34 TYR QD 3.600 . 5.200 3.137 3.137 3.137 . 0 0 "[ ]" 1
583 1 30 ILE QG 1 34 TYR QD 2.400 . 3.100 2.650 2.650 2.650 . 0 0 "[ ]" 1
584 1 30 ILE QG 1 34 TYR QE 2.800 . 3.800 3.130 3.130 3.130 . 0 0 "[ ]" 1
585 1 30 ILE MG 1 31 LYS H 2.500 . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 1
586 1 30 ILE MG 1 34 TYR QD 1.900 . 2.400 2.074 2.074 2.074 . 0 0 "[ ]" 1
587 1 30 ILE MG 1 34 TYR QE 2.600 . 3.400 3.346 3.346 3.346 . 0 0 "[ ]" 1
588 1 31 LYS H 1 31 LYS HA 2.300 . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
589 1 31 LYS H 1 31 LYS QB 2.100 . 2.700 2.254 2.254 2.254 . 0 0 "[ ]" 1
590 1 31 LYS H 1 31 LYS QB 1.900 . 2.400 1.859 1.859 1.859 . 0 0 "[ ]" 1
591 1 31 LYS H 1 31 LYS QG 3.400 . 4.800 3.974 3.974 3.974 . 0 0 "[ ]" 1
592 1 31 LYS H 1 32 ASP H 2.300 . 3.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
593 1 31 LYS H 1 36 VAL MG1 5.700 . 6.000 6.062 6.062 6.062 0.062 1 0 "[ ]" 1
594 1 31 LYS H 1 36 VAL MG2 2.900 . 4.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
595 1 31 LYS H 1 38 VAL MG1 2.900 . 4.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
596 1 31 LYS HA 1 31 LYS QB 2.400 . 3.100 2.333 2.333 2.333 . 0 0 "[ ]" 1
597 1 31 LYS HA 1 31 LYS HG2 2.500 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1
598 1 31 LYS HA 1 31 LYS HG3 2.300 . 3.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
599 1 31 LYS HA 1 32 ASP H 3.800 . 5.600 3.490 3.490 3.490 . 0 0 "[ ]" 1
600 1 31 LYS HA 1 32 ASP H 2.900 . 4.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
601 1 31 LYS HA 1 34 TYR HB2 3.200 . 4.500 4.380 4.380 4.380 . 0 0 "[ ]" 1
602 1 31 LYS HA 1 34 TYR QD 4.500 . 6.000 5.666 5.666 5.666 . 0 0 "[ ]" 1
603 1 31 LYS HA 1 36 VAL H 2.300 . 3.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
604 1 31 LYS HA 1 36 VAL MG2 2.200 . 2.800 2.149 2.149 2.149 . 0 0 "[ ]" 1
605 1 31 LYS QB 1 31 LYS HG2 3.000 . 4.100 2.534 2.534 2.534 . 0 0 "[ ]" 1
606 1 31 LYS QB 1 32 ASP H 2.200 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
607 1 31 LYS HG2 1 37 SER H 2.900 . 4.000 4.107 4.107 4.107 0.107 1 0 "[ ]" 1
608 1 31 LYS HG3 1 32 ASP H 3.000 . 4.100 4.083 4.083 4.083 . 0 0 "[ ]" 1
609 1 32 ASP H 1 32 ASP HA 2.800 . 3.800 2.935 2.935 2.935 . 0 0 "[ ]" 1
610 1 32 ASP H 1 32 ASP HB2 2.300 . 3.000 2.319 2.319 2.319 . 0 0 "[ ]" 1
611 1 32 ASP H 1 32 ASP HB3 3.100 . 4.300 3.048 3.048 3.048 . 0 0 "[ ]" 1
612 1 32 ASP H 1 32 ASP HB3 2.300 . 3.000 2.963 2.963 2.963 . 0 0 "[ ]" 1
613 1 32 ASP H 1 33 GLN H 2.200 . 2.800 2.235 2.235 2.235 . 0 0 "[ ]" 1
614 1 32 ASP HA 1 32 ASP HB2 2.200 . 2.800 2.760 2.760 2.760 . 0 0 "[ ]" 1
615 1 32 ASP HA 1 32 ASP HB3 2.900 . 4.000 2.900 2.900 2.900 . 0 0 "[ ]" 1
616 1 32 ASP HA 1 33 GLN H 2.900 . 4.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
617 1 32 ASP HA 1 35 LYS H 6.500 . 6.800 3.229 3.229 3.229 . 0 0 "[ ]" 1
618 1 32 ASP HB2 1 33 GLN H 3.400 . 4.800 3.257 3.257 3.257 . 0 0 "[ ]" 1
619 1 32 ASP HB2 1 33 GLN HA 3.100 . 4.300 4.420 4.420 4.420 0.120 1 0 "[ ]" 1
620 1 32 ASP HB3 1 33 GLN H 2.500 . 3.300 2.618 2.618 2.618 . 0 0 "[ ]" 1
621 1 33 GLN H 1 33 GLN HA 2.400 . 3.100 2.806 2.806 2.806 . 0 0 "[ ]" 1
622 1 33 GLN H 1 33 GLN HB2 2.200 . 2.800 2.543 2.543 2.543 . 0 0 "[ ]" 1
623 1 33 GLN H 1 33 GLN QB 3.100 . 4.300 2.241 2.241 2.241 . 0 0 "[ ]" 1
624 1 33 GLN H 1 33 GLN HB3 2.100 . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
625 1 33 GLN H 1 33 GLN HB3 2.400 . 3.100 2.403 2.403 2.403 . 0 0 "[ ]" 1
626 1 33 GLN H 1 33 GLN HG2 5.000 . 6.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
627 1 33 GLN H 1 33 GLN HG3 5.000 . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
628 1 33 GLN H 1 34 TYR H 2.900 . 4.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
629 1 33 GLN H 1 34 TYR H 2.200 . 2.800 2.465 2.465 2.465 . 0 0 "[ ]" 1
630 1 33 GLN H 1 34 TYR QD 7.500 . 7.800 4.356 4.356 4.356 . 0 0 "[ ]" 1
631 1 33 GLN HA 1 33 GLN HB3 2.300 . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1
632 1 33 GLN HA 1 33 GLN HE21 3.100 . 4.300 3.956 3.956 3.956 . 0 0 "[ ]" 1
633 1 33 GLN HA 1 33 GLN HG2 2.200 . 2.800 2.850 2.850 2.850 0.050 1 0 "[ ]" 1
634 1 33 GLN HA 1 33 GLN HG3 2.600 . 3.400 2.930 2.930 2.930 . 0 0 "[ ]" 1
635 1 33 GLN HA 1 33 GLN HG3 3.000 . 4.100 2.173 2.173 2.173 . 0 0 "[ ]" 1
636 1 33 GLN HA 1 34 TYR H 3.500 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
637 1 33 GLN HA 1 34 TYR QD 5.500 . 6.000 4.870 4.870 4.870 . 0 0 "[ ]" 1
638 1 33 GLN HA 1 34 TYR QE 6.000 . 6.000 5.970 5.970 5.970 . 0 0 "[ ]" 1
639 1 33 GLN HB2 1 33 GLN HB3 1.700 . 2.100 1.728 1.728 1.728 . 0 0 "[ ]" 1
640 1 33 GLN HB2 1 33 GLN HG3 2.200 . 2.800 3.014 3.014 3.014 0.214 1 0 "[ ]" 1
641 1 33 GLN HB2 1 34 TYR H 2.500 . 3.300 3.609 3.609 3.609 0.309 1 0 "[ ]" 1
642 1 33 GLN HB3 1 33 GLN HG2 2.300 . 3.000 2.363 2.363 2.363 . 0 0 "[ ]" 1
643 1 33 GLN HB3 1 34 TYR H 3.100 . 4.300 2.509 2.509 2.509 . 0 0 "[ ]" 1
644 1 33 GLN HE21 1 33 GLN HG2 2.900 . 4.000 2.963 2.963 2.963 . 0 0 "[ ]" 1
645 1 33 GLN HE21 1 33 GLN HG3 2.600 . 3.400 2.247 2.247 2.247 . 0 0 "[ ]" 1
646 1 33 GLN HE22 1 33 GLN HG3 2.800 . 3.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
647 1 33 GLN HG2 1 34 TYR QE 2.900 . 4.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
648 1 33 GLN HG3 1 34 TYR H 2.900 . 4.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
649 1 33 GLN HG3 1 34 TYR QE 2.800 . 3.800 3.602 3.602 3.602 . 0 0 "[ ]" 1
650 1 33 GLN NE2 1 34 TYR QE 7.000 . 7.300 5.312 5.312 5.312 . 0 0 "[ ]" 1
651 1 34 TYR H 1 34 TYR HB2 2.300 . 3.000 2.377 2.377 2.377 . 0 0 "[ ]" 1
652 1 34 TYR H 1 34 TYR HB3 2.800 . 3.800 3.620 3.620 3.620 . 0 0 "[ ]" 1
653 1 34 TYR H 1 34 TYR QD 2.400 . 3.100 2.618 2.618 2.618 . 0 0 "[ ]" 1
654 1 34 TYR H 1 34 TYR QE 7.000 . 7.300 4.790 4.790 4.790 . 0 0 "[ ]" 1
655 1 34 TYR H 1 35 LYS H 2.600 . 3.400 2.349 2.349 2.349 . 0 0 "[ ]" 1
656 1 34 TYR H 1 36 VAL MG1 5.000 . 5.300 4.591 4.591 4.591 . 0 0 "[ ]" 1
657 1 34 TYR HA 1 35 LYS H 3.800 . 5.600 3.258 3.258 3.258 . 0 0 "[ ]" 1
658 1 34 TYR HA 1 36 VAL MG2 3.000 . 4.100 4.139 4.139 4.139 0.039 1 0 "[ ]" 1
659 1 34 TYR HB2 1 34 TYR QD 2.100 . 2.700 2.426 2.426 2.426 . 0 0 "[ ]" 1
660 1 34 TYR HB2 1 35 LYS H 5.000 . 5.300 3.682 3.682 3.682 . 0 0 "[ ]" 1
661 1 34 TYR HB2 1 36 VAL MG1 2.600 . 3.400 3.039 3.039 3.039 . 0 0 "[ ]" 1
662 1 34 TYR HB2 1 36 VAL MG2 2.400 . 3.100 1.900 1.900 1.900 . 0 0 "[ ]" 1
663 1 34 TYR HB2 1 62 ALA MB 2.600 . 3.400 2.589 2.589 2.589 . 0 0 "[ ]" 1
664 1 34 TYR HB3 1 34 TYR QD 2.200 . 2.800 2.358 2.358 2.358 . 0 0 "[ ]" 1
665 1 34 TYR HB3 1 35 LYS H 5.000 . 5.300 4.240 4.240 4.240 . 0 0 "[ ]" 1
666 1 34 TYR HB3 1 36 VAL HB 3.100 . 4.300 3.019 3.019 3.019 . 0 0 "[ ]" 1
667 1 34 TYR HB3 1 36 VAL MG1 1.900 . 2.400 1.767 1.767 1.767 . 0 0 "[ ]" 1
668 1 34 TYR HB3 1 36 VAL MG2 2.500 . 3.300 2.577 2.577 2.577 . 0 0 "[ ]" 1
669 1 34 TYR HB3 1 58 GLY HA2 2.600 . 3.400 3.313 3.313 3.313 . 0 0 "[ ]" 1
670 1 34 TYR HB3 1 58 GLY HA2 2.600 . 3.400 3.254 3.254 3.254 . 0 0 "[ ]" 1
671 1 34 TYR HB3 1 58 GLY HA3 2.700 . 3.600 3.114 3.114 3.114 . 0 0 "[ ]" 1
672 1 34 TYR HB3 1 62 ALA H 2.700 . 3.600 3.403 3.403 3.403 . 0 0 "[ ]" 1
673 1 34 TYR HB3 1 62 ALA MB 2.200 . 2.800 2.595 2.595 2.595 . 0 0 "[ ]" 1
674 1 34 TYR QD 1 35 LYS H 7.000 . 7.300 4.682 4.682 4.682 . 0 0 "[ ]" 1
675 1 34 TYR QD 1 36 VAL MG1 2.800 . 3.800 3.564 3.564 3.564 . 0 0 "[ ]" 1
676 1 34 TYR QD 1 36 VAL MG2 2.800 . 3.800 3.609 3.609 3.609 . 0 0 "[ ]" 1
677 1 34 TYR QD 1 65 GLU HB3 2.600 . 3.400 2.286 2.286 2.286 . 0 0 "[ ]" 1
678 1 34 TYR QD 1 58 GLY HA2 2.300 . 3.000 2.189 2.189 2.189 . 0 0 "[ ]" 1
679 1 34 TYR QD 1 62 ALA H 2.800 . 3.800 3.147 3.147 3.147 . 0 0 "[ ]" 1
680 1 34 TYR QD 1 61 GLN QB 2.600 . 3.400 2.492 2.492 2.492 . 0 0 "[ ]" 1
681 1 34 TYR QE 1 35 LYS H 7.000 . 7.300 6.663 6.663 6.663 . 0 0 "[ ]" 1
682 1 34 TYR QE 1 61 GLN QB 2.500 . 3.300 2.218 2.218 2.218 . 0 0 "[ ]" 1
683 1 34 TYR QE 1 65 GLU QG 2.700 . 3.600 3.572 3.572 3.572 . 0 0 "[ ]" 1
684 1 35 LYS H 1 35 LYS HA 2.000 . 2.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
685 1 35 LYS H 1 35 LYS QB 2.900 . 4.000 2.970 2.970 2.970 . 0 0 "[ ]" 1
686 1 35 LYS H 1 35 LYS HG2 5.000 . 6.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
687 1 35 LYS H 1 35 LYS HG3 4.000 . 6.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
688 1 35 LYS H 1 36 VAL H 2.300 . 3.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
689 1 35 LYS H 1 36 VAL MG1 5.000 . 5.300 4.288 4.288 4.288 . 0 0 "[ ]" 1
690 1 35 LYS HA 1 35 LYS HG2 2.700 . 3.600 2.038 2.038 2.038 . 0 0 "[ ]" 1
691 1 35 LYS HA 1 35 LYS QG 3.500 . 5.000 2.002 2.002 2.002 . 0 0 "[ ]" 1
692 1 35 LYS HA 1 35 LYS HG3 2.200 . 2.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
693 1 35 LYS HA 1 36 VAL H 2.200 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
694 1 35 LYS QB 1 35 LYS HG2 2.300 . 3.000 2.034 2.034 2.034 . 0 0 "[ ]" 1
695 1 35 LYS QB 1 56 PRO HD2 2.800 . 3.800 3.409 3.409 3.409 . 0 0 "[ ]" 1
696 1 36 VAL H 1 36 VAL HA 2.600 . 3.400 2.957 2.957 2.957 . 0 0 "[ ]" 1
697 1 36 VAL H 1 36 VAL HB 2.900 . 4.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
698 1 36 VAL H 1 36 VAL MG1 2.500 . 3.300 2.867 2.867 2.867 . 0 0 "[ ]" 1
699 1 36 VAL H 1 36 VAL MG2 2.000 . 2.500 1.916 1.916 1.916 . 0 0 "[ ]" 1
700 1 36 VAL HA 1 36 VAL HB 2.200 . 2.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
701 1 36 VAL HA 1 36 VAL MG1 2.200 . 2.800 2.336 2.336 2.336 . 0 0 "[ ]" 1
702 1 36 VAL HA 1 36 VAL MG2 2.700 . 3.600 3.192 3.192 3.192 . 0 0 "[ ]" 1
703 1 36 VAL HA 1 37 SER H 2.900 . 4.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
704 1 36 VAL HA 1 37 SER QB 3.000 . 4.100 3.901 3.901 3.901 . 0 0 "[ ]" 1
705 1 36 VAL HA 1 54 GLY HA2 2.900 . 4.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
706 1 36 VAL HA 1 54 GLY HA3 3.300 . 4.700 2.823 2.823 2.823 . 0 0 "[ ]" 1
707 1 36 VAL HA 1 55 ASP H 4.000 . 6.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
708 1 36 VAL HB 1 36 VAL MG1 2.000 . 2.500 2.116 2.116 2.116 . 0 0 "[ ]" 1
709 1 36 VAL HB 1 36 VAL MG2 2.000 . 2.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
710 1 36 VAL HB 1 37 SER H 2.000 . 2.500 1.896 1.896 1.896 . 0 0 "[ ]" 1
711 1 36 VAL HB 1 53 GLU H 2.400 . 3.100 2.736 2.736 2.736 . 0 0 "[ ]" 1
712 1 36 VAL HB 1 52 ILE HA 3.100 . 4.300 4.234 4.234 4.234 . 0 0 "[ ]" 1
713 1 36 VAL HB 1 55 ASP H 6.000 . 6.000 5.253 5.253 5.253 . 0 0 "[ ]" 1
714 1 36 VAL MG1 1 54 GLY HA2 2.700 . 3.300 3.322 3.322 3.322 0.022 1 0 "[ ]" 1
715 1 36 VAL MG1 1 54 GLY HA2 3.300 . 4.700 3.707 3.707 3.707 . 0 0 "[ ]" 1
716 1 36 VAL MG1 1 54 GLY HA3 2.500 . 3.300 2.392 2.392 2.392 . 0 0 "[ ]" 1
717 1 36 VAL MG1 1 55 ASP H 2.500 . 3.300 3.318 3.318 3.318 0.018 1 0 "[ ]" 1
718 1 36 VAL MG1 1 58 GLY HA3 2.600 . 3.400 2.762 2.762 2.762 . 0 0 "[ ]" 1
719 1 36 VAL MG1 1 59 VAL H 2.200 . 2.800 2.616 2.616 2.616 . 0 0 "[ ]" 1
720 1 36 VAL MG1 1 59 VAL HB 2.000 . 2.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
721 1 36 VAL MG1 1 62 ALA H 2.800 . 3.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
722 1 36 VAL MG2 1 37 SER H 3.400 . 4.800 3.059 3.059 3.059 . 0 0 "[ ]" 1
723 1 36 VAL MG2 1 37 SER H 2.500 . 3.300 3.003 3.003 3.003 . 0 0 "[ ]" 1
724 1 36 VAL MG2 1 38 VAL HB 3.000 . 4.100 3.126 3.126 3.126 . 0 0 "[ ]" 1
725 1 36 VAL MG2 1 38 VAL HB 3.000 . 4.100 3.201 3.201 3.201 . 0 0 "[ ]" 1
726 1 36 VAL MG2 1 62 ALA MB 2.000 . 2.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
727 1 37 SER H 1 37 SER HA 2.700 . 3.600 2.913 2.913 2.913 . 0 0 "[ ]" 1
728 1 37 SER H 1 37 SER QB 2.200 . 2.800 2.571 2.571 2.571 . 0 0 "[ ]" 1
729 1 37 SER H 1 53 GLU H 2.400 . 3.100 3.067 3.067 3.067 . 0 0 "[ ]" 1
730 1 37 SER H 1 54 GLY HA3 4.000 . 6.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
731 1 37 SER HA 1 37 SER QB 2.200 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
732 1 37 SER HA 1 38 VAL H 3.000 . 4.100 2.320 2.320 2.320 . 0 0 "[ ]" 1
733 1 37 SER HA 1 39 ARG QD 3.200 . 4.500 3.699 3.699 3.699 . 0 0 "[ ]" 1
734 1 37 SER HA 1 53 GLU H 3.200 . 4.500 3.509 3.509 3.509 . 0 0 "[ ]" 1
735 1 37 SER QB 1 38 VAL H 3.600 . 5.200 3.981 3.981 3.981 . 0 0 "[ ]" 1
736 1 37 SER QB 1 53 GLU H 2.500 . 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 1
737 1 37 SER QB 1 53 GLU H 4.000 . 6.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
738 1 38 VAL H 1 38 VAL HB 3.500 . 5.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
739 1 38 VAL H 1 38 VAL MG1 3.300 . 4.700 1.890 1.890 1.890 . 0 0 "[ ]" 1
740 1 38 VAL HA 1 38 VAL HB 2.700 . 3.600 2.403 2.403 2.403 . 0 0 "[ ]" 1
741 1 38 VAL HA 1 38 VAL MG2 2.200 . 2.800 2.337 2.337 2.337 . 0 0 "[ ]" 1
742 1 38 VAL HA 1 39 ARG H 2.000 . 2.500 2.150 2.150 2.150 . 0 0 "[ ]" 1
743 1 38 VAL HA 1 52 ILE HA 2.900 . 4.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
744 1 38 VAL HA 1 53 GLU H 4.000 . 6.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
745 1 38 VAL HB 1 38 VAL MG1 2.000 . 2.500 2.128 2.128 2.128 . 0 0 "[ ]" 1
746 1 38 VAL HB 1 38 VAL MG2 1.900 . 2.400 1.876 1.876 1.876 . 0 0 "[ ]" 1
747 1 38 VAL HB 1 39 ARG H 5.000 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
748 1 38 VAL MG1 1 39 ARG H 3.600 . 5.200 4.073 4.073 4.073 . 0 0 "[ ]" 1
749 1 38 VAL MG1 1 39 ARG H 2.700 . 3.600 2.494 2.494 2.494 . 0 0 "[ ]" 1
750 1 38 VAL MG2 1 39 ARG H 2.300 . 3.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
751 1 39 ARG H 1 39 ARG HA 2.700 . 3.600 2.950 2.950 2.950 . 0 0 "[ ]" 1
752 1 39 ARG H 1 39 ARG QB 3.000 . 4.100 2.554 2.554 2.554 . 0 0 "[ ]" 1
753 1 39 ARG H 1 39 ARG HB2 2.300 . 3.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
754 1 39 ARG H 1 39 ARG HG3 2.900 . 4.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
755 1 39 ARG H 1 40 ILE H 3.600 . 5.200 4.330 4.330 4.330 . 0 0 "[ ]" 1
756 1 39 ARG H 1 50 ILE MG 2.700 . 3.600 3.061 3.061 3.061 . 0 0 "[ ]" 1
757 1 39 ARG H 1 51 ARG H 3.600 . 5.200 3.726 3.726 3.726 . 0 0 "[ ]" 1
758 1 39 ARG H 1 52 ILE HA 2.800 . 3.800 3.430 3.430 3.430 . 0 0 "[ ]" 1
759 1 39 ARG HA 1 39 ARG HG2 3.100 . 4.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
760 1 39 ARG HA 1 39 ARG HG3 2.800 . 3.800 2.289 2.289 2.289 . 0 0 "[ ]" 1
761 1 39 ARG HA 1 40 ILE H 2.700 . 3.600 2.160 2.160 2.160 . 0 0 "[ ]" 1
762 1 39 ARG HA 1 40 ILE H 2.000 . 2.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
763 1 39 ARG HB2 1 39 ARG QD 2.200 . 2.800 2.075 2.075 2.075 . 0 0 "[ ]" 1
764 1 39 ARG HB2 1 51 ARG H 2.300 . 3.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
765 1 39 ARG HB3 1 39 ARG HG2 2.500 . 3.300 2.240 2.240 2.240 . 0 0 "[ ]" 1
766 1 39 ARG QD 1 39 ARG HG2 2.400 . 3.100 2.367 2.367 2.367 . 0 0 "[ ]" 1
767 1 39 ARG QD 1 39 ARG HG3 2.300 . 3.000 2.048 2.048 2.048 . 0 0 "[ ]" 1
768 1 40 ILE H 1 40 ILE MD 3.200 . 4.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
769 1 40 ILE H 1 40 ILE MD 2.100 . 2.700 2.417 2.417 2.417 . 0 0 "[ ]" 1
770 1 40 ILE H 1 40 ILE QG 2.600 . 3.400 2.866 2.866 2.866 . 0 0 "[ ]" 1
771 1 40 ILE H 1 40 ILE MG 3.000 . 4.100 3.665 3.665 3.665 . 0 0 "[ ]" 1
772 1 40 ILE HA 1 40 ILE HB 2.900 . 4.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
773 1 40 ILE HA 1 40 ILE MD 2.100 . 2.700 2.059 2.059 2.059 . 0 0 "[ ]" 1
774 1 40 ILE HA 1 40 ILE QG 3.200 . 4.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
775 1 40 ILE HA 1 40 ILE QG 2.800 . 3.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
776 1 40 ILE HA 1 40 ILE MG 2.800 . 3.800 2.569 2.569 2.569 . 0 0 "[ ]" 1
777 1 40 ILE HA 1 41 PRO HD2 2.200 . 2.800 2.222 2.222 2.222 . 0 0 "[ ]" 1
778 1 40 ILE HA 1 41 PRO HD3 2.200 . 2.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
779 1 40 ILE HA 1 51 ARG HD2 3.000 . 4.100 4.071 4.071 4.071 . 0 0 "[ ]" 1
780 1 40 ILE HA 1 50 ILE MD 2.900 . 4.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
781 1 40 ILE HA 1 50 ILE MG 5.500 . 6.000 2.028 2.028 2.028 . 0 0 "[ ]" 1
782 1 40 ILE MD 1 50 ILE MD 2.000 . 2.500 1.879 1.879 1.879 . 0 0 "[ ]" 1
783 1 40 ILE MG 1 41 PRO HD2 2.900 . 4.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
784 1 40 ILE MG 1 42 PRO QB 3.000 . 4.100 4.135 4.135 4.135 0.035 1 0 "[ ]" 1
785 1 40 ILE MG 1 50 ILE MD 5.500 . 6.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
786 1 41 PRO HA 1 42 PRO HD2 3.100 . 4.300 2.408 2.408 2.408 . 0 0 "[ ]" 1
787 1 41 PRO HA 1 42 PRO HD3 2.700 . 3.600 2.077 2.077 2.077 . 0 0 "[ ]" 1
788 1 41 PRO QB 1 41 PRO HD3 2.600 . 3.400 3.117 3.117 3.117 . 0 0 "[ ]" 1
789 1 41 PRO QB 1 41 PRO QG 2.000 . 2.500 1.950 1.950 1.950 . 0 0 "[ ]" 1
790 1 41 PRO QB 1 42 PRO HD3 3.100 . 4.300 3.837 3.837 3.837 . 0 0 "[ ]" 1
791 1 41 PRO HD2 1 41 PRO QG 2.500 . 3.300 2.175 2.175 2.175 . 0 0 "[ ]" 1
792 1 41 PRO HD2 1 50 ILE HA 3.200 . 4.500 2.414 2.414 2.414 . 0 0 "[ ]" 1
793 1 41 PRO HD3 1 41 PRO QG 2.200 . 2.800 2.193 2.193 2.193 . 0 0 "[ ]" 1
794 1 41 PRO HD3 1 50 ILE MD 5.000 . 6.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
795 1 41 PRO QG 1 50 ILE MG 3.000 . 4.100 3.833 3.833 3.833 . 0 0 "[ ]" 1
796 1 41 PRO QG 1 51 ARG HG3 2.800 . 3.800 3.791 3.791 3.791 . 0 0 "[ ]" 1
797 1 42 PRO HA 1 42 PRO QB 2.300 . 3.000 2.158 2.158 2.158 . 0 0 "[ ]" 1
798 1 42 PRO QB 1 42 PRO HD3 2.800 . 3.800 3.202 3.202 3.202 . 0 0 "[ ]" 1
799 1 42 PRO QB 1 42 PRO HG2 2.000 . 2.500 2.202 2.202 2.202 . 0 0 "[ ]" 1
800 1 42 PRO QB 1 42 PRO HG3 2.100 . 2.700 1.933 1.933 1.933 . 0 0 "[ ]" 1
801 1 42 PRO HD2 1 42 PRO HG3 2.200 . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 1
802 1 43 ASP HA 1 43 ASP HB3 3.200 . 4.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
803 1 44 SER HA 1 44 SER HB2 2.600 . 3.400 2.657 2.657 2.657 . 0 0 "[ ]" 1
804 1 44 SER HA 1 44 SER HB3 2.800 . 3.800 2.292 2.292 2.292 . 0 0 "[ ]" 1
805 1 44 SER HA 1 45 GLU H 4.000 . 6.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
806 1 44 SER HA 1 45 GLU H 2.800 . 3.800 2.063 2.063 2.063 . 0 0 "[ ]" 1
807 1 45 GLU H 1 45 GLU QG 2.800 . 3.800 2.257 2.257 2.257 . 0 0 "[ ]" 1
808 1 45 GLU HA 1 45 GLU QG 2.700 . 3.600 2.825 2.825 2.825 . 0 0 "[ ]" 1
809 1 45 GLU HA 1 46 LYS H 4.000 . 6.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
810 1 46 LYS H 1 46 LYS QG 2.300 . 3.000 1.959 1.959 1.959 . 0 0 "[ ]" 1
811 1 46 LYS HA 1 46 LYS HB3 2.800 . 3.800 2.489 2.489 2.489 . 0 0 "[ ]" 1
812 1 46 LYS HA 1 46 LYS QG 2.600 . 3.400 2.934 2.934 2.934 . 0 0 "[ ]" 1
813 1 46 LYS HA 1 47 SER H 4.000 . 6.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
814 1 46 LYS HB2 1 46 LYS QG 3.000 . 4.100 2.060 2.060 2.060 . 0 0 "[ ]" 1
815 1 46 LYS HB2 1 47 SER H 2.800 . 3.800 1.977 1.977 1.977 . 0 0 "[ ]" 1
816 1 46 LYS HB2 1 47 SER HA 3.200 . 4.500 3.893 3.893 3.893 . 0 0 "[ ]" 1
817 1 46 LYS HB2 1 47 SER HB3 3.100 . 4.300 3.843 3.843 3.843 . 0 0 "[ ]" 1
818 1 47 SER H 1 47 SER HB3 2.500 . 3.300 2.745 2.745 2.745 . 0 0 "[ ]" 1
819 1 47 SER HA 1 47 SER HB2 2.000 . 2.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
820 1 47 SER HA 1 47 SER HB3 2.700 . 3.600 2.610 2.610 2.610 . 0 0 "[ ]" 1
821 1 47 SER HA 1 48 ASN H 2.500 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1
822 1 47 SER HB3 1 49 LEU HG 3.200 . 4.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
823 1 48 ASN H 1 48 ASN HB2 2.700 . 3.600 2.353 2.353 2.353 . 0 0 "[ ]" 1
824 1 48 ASN H 1 48 ASN HB3 3.200 . 4.500 3.331 3.331 3.331 . 0 0 "[ ]" 1
825 1 48 ASN H 1 49 LEU H 3.200 . 4.500 4.504 4.504 4.504 0.004 1 0 "[ ]" 1
826 1 48 ASN HA 1 48 ASN HB2 2.800 . 3.800 2.885 2.885 2.885 . 0 0 "[ ]" 1
827 1 48 ASN HA 1 48 ASN HB3 2.700 . 3.600 2.809 2.809 2.809 . 0 0 "[ ]" 1
828 1 48 ASN HA 1 48 ASN HD21 3.100 . 4.300 4.252 4.252 4.252 . 0 0 "[ ]" 1
829 1 48 ASN HA 1 49 LEU H 2.700 . 3.600 2.378 2.378 2.378 . 0 0 "[ ]" 1
830 1 48 ASN HB2 1 48 ASN HD21 2.600 . 3.400 2.347 2.347 2.347 . 0 0 "[ ]" 1
831 1 48 ASN HB3 1 48 ASN HD21 2.800 . 3.800 2.808 2.808 2.808 . 0 0 "[ ]" 1
832 1 49 LEU H 1 49 LEU QB 2.300 . 3.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
833 1 49 LEU H 1 49 LEU HG 3.800 . 5.600 4.445 4.445 4.445 . 0 0 "[ ]" 1
834 1 49 LEU HA 1 49 LEU MD1 2.500 . 3.300 3.015 3.015 3.015 . 0 0 "[ ]" 1
835 1 49 LEU HA 1 49 LEU HG 2.500 . 3.300 1.981 1.981 1.981 . 0 0 "[ ]" 1
836 1 49 LEU HA 1 50 ILE H 2.000 . 2.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
837 1 49 LEU QB 1 49 LEU MD1 2.000 . 2.500 1.927 1.927 1.927 . 0 0 "[ ]" 1
838 1 49 LEU MD1 1 49 LEU HG 1.800 . 2.200 1.880 1.880 1.880 . 0 0 "[ ]" 1
839 1 49 LEU MD2 1 49 LEU HG 1.700 . 2.100 1.887 1.887 1.887 . 0 0 "[ ]" 1
840 1 49 LEU HG 1 50 ILE H 2.500 . 3.300 2.033 2.033 2.033 . 0 0 "[ ]" 1
841 1 50 ILE H 1 50 ILE HA 2.600 . 3.400 2.906 2.906 2.906 . 0 0 "[ ]" 1
842 1 50 ILE H 1 50 ILE HB 2.100 . 2.700 2.611 2.611 2.611 . 0 0 "[ ]" 1
843 1 50 ILE H 1 50 ILE MD 2.900 . 4.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
844 1 50 ILE H 1 50 ILE QG 3.000 . 4.100 2.026 2.026 2.026 . 0 0 "[ ]" 1
845 1 50 ILE H 1 50 ILE MG 3.500 . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
846 1 50 ILE HA 1 50 ILE HB 2.600 . 3.400 3.007 3.007 3.007 . 0 0 "[ ]" 1
847 1 50 ILE HA 1 50 ILE MD 3.400 . 4.800 3.864 3.864 3.864 . 0 0 "[ ]" 1
848 1 50 ILE HA 1 50 ILE HG12 2.900 . 4.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
849 1 50 ILE HA 1 50 ILE HG13 2.700 . 3.600 3.166 3.166 3.166 . 0 0 "[ ]" 1
850 1 50 ILE HA 1 50 ILE MG 2.300 . 3.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
851 1 50 ILE HA 1 51 ARG H 2.000 . 2.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
852 1 50 ILE HB 1 50 ILE MD 2.200 . 2.800 2.404 2.404 2.404 . 0 0 "[ ]" 1
853 1 50 ILE HB 1 50 ILE MG 2.000 . 2.500 2.130 2.130 2.130 . 0 0 "[ ]" 1
854 1 50 ILE MD 1 50 ILE MG 2.000 . 2.500 1.753 1.753 1.753 . 0 0 "[ ]" 1
855 1 50 ILE MD 1 70 ALA HA 5.500 . 5.800 5.152 5.152 5.152 . 0 0 "[ ]" 1
856 1 50 ILE MG 1 51 ARG H 2.200 . 2.800 2.096 2.096 2.096 . 0 0 "[ ]" 1
857 1 50 ILE MG 1 52 ILE HG12 2.400 . 3.100 3.116 3.116 3.116 0.016 1 0 "[ ]" 1
858 1 51 ARG H 1 51 ARG HA 2.800 . 3.800 2.946 2.946 2.946 . 0 0 "[ ]" 1
859 1 51 ARG H 1 51 ARG QB 2.100 . 2.700 2.316 2.316 2.316 . 0 0 "[ ]" 1
860 1 51 ARG H 1 51 ARG QG 3.800 . 5.600 3.212 3.212 3.212 . 0 0 "[ ]" 1
861 1 51 ARG HA 1 51 ARG QB 2.400 . 3.100 2.444 2.444 2.444 . 0 0 "[ ]" 1
862 1 51 ARG HA 1 51 ARG HG2 2.900 . 4.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
863 1 51 ARG HA 1 51 ARG HG3 2.800 . 3.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
864 1 51 ARG HA 1 52 ILE H 2.000 . 2.500 2.125 2.125 2.125 . 0 0 "[ ]" 1
865 1 51 ARG QB 1 51 ARG HD2 2.200 . 2.800 2.331 2.331 2.331 . 0 0 "[ ]" 1
866 1 51 ARG QB 1 51 ARG HG2 2.000 . 2.500 2.177 2.177 2.177 . 0 0 "[ ]" 1
867 1 51 ARG QB 1 52 ILE HA 3.100 . 4.300 2.944 2.944 2.944 . 0 0 "[ ]" 1
868 1 51 ARG HD2 1 51 ARG HG2 2.800 . 3.800 3.027 3.027 3.027 . 0 0 "[ ]" 1
869 1 51 ARG HD2 1 51 ARG HG3 2.200 . 2.800 2.470 2.470 2.470 . 0 0 "[ ]" 1
870 1 52 ILE H 1 52 ILE HA 2.600 . 3.400 2.958 2.958 2.958 . 0 0 "[ ]" 1
871 1 52 ILE H 1 52 ILE HB 2.400 . 3.100 2.740 2.740 2.740 . 0 0 "[ ]" 1
872 1 52 ILE H 1 52 ILE MD 3.500 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
873 1 52 ILE H 1 52 ILE HG12 2.400 . 3.100 2.541 2.541 2.541 . 0 0 "[ ]" 1
874 1 52 ILE H 1 52 ILE MG 3.700 . 5.400 3.895 3.895 3.895 . 0 0 "[ ]" 1
875 1 52 ILE HA 1 52 ILE HB 2.800 . 3.800 3.009 3.009 3.009 . 0 0 "[ ]" 1
876 1 52 ILE HA 1 52 ILE MD 2.600 . 3.400 2.261 2.261 2.261 . 0 0 "[ ]" 1
877 1 52 ILE HA 1 52 ILE HG12 2.800 . 3.800 3.153 3.153 3.153 . 0 0 "[ ]" 1
878 1 52 ILE HA 1 52 ILE HG13 2.800 . 3.800 3.813 3.813 3.813 0.013 1 0 "[ ]" 1
879 1 52 ILE HA 1 52 ILE MG 2.200 . 2.800 2.306 2.306 2.306 . 0 0 "[ ]" 1
880 1 52 ILE HA 1 53 GLU H 2.000 . 2.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
881 1 52 ILE HB 1 52 ILE HG13 2.000 . 2.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
882 1 52 ILE HB 1 63 LYS HA 2.400 . 3.100 3.109 3.109 3.109 0.009 1 0 "[ ]" 1
883 1 52 ILE HG13 1 63 LYS HA 2.400 . 3.100 2.925 2.925 2.925 . 0 0 "[ ]" 1
884 1 52 ILE MG 1 53 GLU H 2.200 . 2.800 2.437 2.437 2.437 . 0 0 "[ ]" 1
885 1 52 ILE MG 1 53 GLU HA 3.200 . 4.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
886 1 53 GLU H 1 53 GLU HA 2.600 . 3.400 2.916 2.916 2.916 . 0 0 "[ ]" 1
887 1 53 GLU H 1 53 GLU HB2 2.600 . 3.400 3.386 3.386 3.386 . 0 0 "[ ]" 1
888 1 53 GLU H 1 53 GLU HB2 2.800 . 3.800 2.403 2.403 2.403 . 0 0 "[ ]" 1
889 1 53 GLU H 1 53 GLU HB3 3.200 . 4.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
890 1 53 GLU H 1 53 GLU QG 3.300 . 4.700 4.149 4.149 4.149 . 0 0 "[ ]" 1
891 1 53 GLU HA 1 53 GLU HB2 2.700 . 3.600 2.438 2.438 2.438 . 0 0 "[ ]" 1
892 1 53 GLU HA 1 53 GLU HB3 2.600 . 3.400 3.029 3.029 3.029 . 0 0 "[ ]" 1
893 1 53 GLU HA 1 53 GLU QG 2.400 . 3.100 2.501 2.501 2.501 . 0 0 "[ ]" 1
894 1 53 GLU HA 1 54 GLY H 2.000 . 2.500 2.155 2.155 2.155 . 0 0 "[ ]" 1
895 1 53 GLU HA 1 59 VAL MG1 3.500 . 3.800 3.923 3.923 3.923 0.123 1 0 "[ ]" 1
896 1 53 GLU HA 1 59 VAL MG2 2.500 . 3.300 2.097 2.097 2.097 . 0 0 "[ ]" 1
897 1 53 GLU HB3 1 54 GLY H 3.000 . 4.100 4.104 4.104 4.104 0.004 1 0 "[ ]" 1
898 1 53 GLU QG 1 54 GLY H 2.500 . 3.300 2.266 2.266 2.266 . 0 0 "[ ]" 1
899 1 53 GLU QG 1 59 VAL QG 2.600 . 3.400 3.339 3.339 3.339 . 0 0 "[ ]" 1
900 1 54 GLY H 1 54 GLY HA2 2.500 . 3.300 2.916 2.916 2.916 . 0 0 "[ ]" 1
901 1 54 GLY H 1 59 VAL MG1 2.300 . 3.000 3.014 3.014 3.014 0.014 1 0 "[ ]" 1
902 1 54 GLY H 1 59 VAL MG2 2.200 . 2.800 1.860 1.860 1.860 . 0 0 "[ ]" 1
903 1 54 GLY HA2 1 55 ASP H 2.300 . 3.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
904 1 54 GLY HA2 1 59 VAL HB 2.400 . 3.100 2.900 2.900 2.900 . 0 0 "[ ]" 1
905 1 54 GLY HA2 1 59 VAL MG2 3.100 . 3.400 3.416 3.416 3.416 0.016 1 0 "[ ]" 1
906 1 54 GLY HA3 1 55 ASP H 2.200 . 2.800 2.167 2.167 2.167 . 0 0 "[ ]" 1
907 1 54 GLY HA3 1 59 VAL QG 2.900 . 4.000 2.434 2.434 2.434 . 0 0 "[ ]" 1
908 1 54 GLY HA3 1 59 VAL MG2 2.700 . 3.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
909 1 55 ASP H 1 55 ASP HA 2.700 . 3.600 2.901 2.901 2.901 . 0 0 "[ ]" 1
910 1 55 ASP H 1 55 ASP HB2 2.300 . 3.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
911 1 55 ASP H 1 55 ASP HB3 2.900 . 4.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
912 1 55 ASP H 1 56 PRO HD2 3.000 . 4.100 1.923 1.923 1.923 . 0 0 "[ ]" 1
913 1 55 ASP H 1 56 PRO QD 4.400 . 6.000 1.907 1.907 1.907 . 0 0 "[ ]" 1
914 1 55 ASP H 1 58 GLY HA3 2.400 . 3.100 2.764 2.764 2.764 . 0 0 "[ ]" 1
915 1 55 ASP H 1 59 VAL QG 2.800 . 3.800 3.202 3.202 3.202 . 0 0 "[ ]" 1
916 1 55 ASP HA 1 55 ASP HB2 2.400 . 3.100 2.881 2.881 2.881 . 0 0 "[ ]" 1
917 1 55 ASP HA 1 55 ASP HB3 2.700 . 3.600 2.798 2.798 2.798 . 0 0 "[ ]" 1
918 1 55 ASP HA 1 56 PRO QB 3.000 . 4.100 4.274 4.274 4.274 0.174 1 0 "[ ]" 1
919 1 55 ASP HB2 1 56 PRO HD2 2.600 . 3.400 2.756 2.756 2.756 . 0 0 "[ ]" 1
920 1 55 ASP HB2 1 56 PRO HD3 2.700 . 3.600 2.221 2.221 2.221 . 0 0 "[ ]" 1
921 1 55 ASP HB3 1 56 PRO HD2 2.600 . 3.400 3.160 3.160 3.160 . 0 0 "[ ]" 1
922 1 55 ASP HB3 1 56 PRO HD3 2.800 . 3.800 1.934 1.934 1.934 . 0 0 "[ ]" 1
923 1 55 ASP HB3 1 56 PRO QG 3.000 . 4.100 3.829 3.829 3.829 . 0 0 "[ ]" 1
924 1 56 PRO HD2 1 59 VAL H 2.900 . 4.000 3.222 3.222 3.222 . 0 0 "[ ]" 1
925 1 57 GLN H 1 57 GLN HA 2.800 . 3.800 2.776 2.776 2.776 . 0 0 "[ ]" 1
926 1 57 GLN H 1 57 GLN QB 2.200 . 2.800 2.525 2.525 2.525 . 0 0 "[ ]" 1
927 1 57 GLN H 1 57 GLN HG2 2.600 . 3.400 3.124 3.124 3.124 . 0 0 "[ ]" 1
928 1 57 GLN H 1 57 GLN QG 3.700 . 5.400 1.992 1.992 1.992 . 0 0 "[ ]" 1
929 1 57 GLN H 1 58 GLY H 2.200 . 2.800 2.708 2.708 2.708 . 0 0 "[ ]" 1
930 1 57 GLN H 1 59 VAL H 4.200 . 6.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
931 1 57 GLN HA 1 57 GLN QB 2.300 . 3.000 1.845 1.845 1.845 . 0 0 "[ ]" 1
932 1 57 GLN HA 1 57 GLN HG2 2.200 . 2.800 2.494 2.494 2.494 . 0 0 "[ ]" 1
933 1 57 GLN HA 1 58 GLY H 3.800 . 5.600 3.456 3.456 3.456 . 0 0 "[ ]" 1
934 1 57 GLN HA 1 59 VAL H 2.500 . 3.300 2.744 2.744 2.744 . 0 0 "[ ]" 1
935 1 57 GLN HA 1 60 GLN H 2.700 . 3.600 3.377 3.377 3.377 . 0 0 "[ ]" 1
936 1 57 GLN HA 1 60 GLN HG3 2.800 . 3.800 3.306 3.306 3.306 . 0 0 "[ ]" 1
937 1 57 GLN QB 1 58 GLY H 2.500 . 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 1
938 1 57 GLN QB 1 60 GLN H 2.500 . 3.300 2.292 2.292 2.292 . 0 0 "[ ]" 1
939 1 57 GLN QB 1 60 GLN HE21 2.100 . 2.700 2.340 2.340 2.340 . 0 0 "[ ]" 1
940 1 57 GLN QB 1 61 GLN HE21 3.000 . 4.100 2.748 2.748 2.748 . 0 0 "[ ]" 1
941 1 58 GLY H 1 58 GLY HA2 2.400 . 3.100 2.733 2.733 2.733 . 0 0 "[ ]" 1
942 1 58 GLY H 1 58 GLY HA3 2.200 . 2.800 2.291 2.291 2.291 . 0 0 "[ ]" 1
943 1 58 GLY H 1 59 VAL H 2.400 . 3.100 2.991 2.991 2.991 . 0 0 "[ ]" 1
944 1 58 GLY H 1 60 GLN H 4.200 . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
945 1 58 GLY HA2 1 59 VAL H 3.600 . 5.200 3.588 3.588 3.588 . 0 0 "[ ]" 1
946 1 58 GLY HA2 1 60 GLN HG3 2.800 . 3.800 3.011 3.011 3.011 . 0 0 "[ ]" 1
947 1 58 GLY HA2 1 62 ALA H 2.700 . 3.600 3.138 3.138 3.138 . 0 0 "[ ]" 1
948 1 58 GLY HA2 1 61 GLN QB 2.200 . 2.800 2.085 2.085 2.085 . 0 0 "[ ]" 1
949 1 58 GLY HA3 1 59 VAL H 3.500 . 5.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
950 1 58 GLY HA3 1 61 GLN H 3.400 . 4.800 4.492 4.492 4.492 . 0 0 "[ ]" 1
951 1 59 VAL H 1 59 VAL HA 2.300 . 3.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
952 1 59 VAL H 1 59 VAL HB 2.000 . 2.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
953 1 59 VAL H 1 59 VAL MG1 2.000 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 1
954 1 59 VAL H 1 59 VAL QG 2.000 . 2.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
955 1 59 VAL H 1 59 VAL MG2 3.000 . 4.100 3.718 3.718 3.718 . 0 0 "[ ]" 1
956 1 59 VAL H 1 60 GLN H 2.300 . 3.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
957 1 59 VAL HA 1 59 VAL HB 2.400 . 3.100 2.565 2.565 2.565 . 0 0 "[ ]" 1
958 1 59 VAL HA 1 59 VAL QG 2.200 . 2.800 2.210 2.210 2.210 . 0 0 "[ ]" 1
959 1 59 VAL HA 1 60 GLN H 3.800 . 5.600 3.549 3.549 3.549 . 0 0 "[ ]" 1
960 1 59 VAL HA 1 62 ALA H 3.400 . 4.800 3.845 3.845 3.845 . 0 0 "[ ]" 1
961 1 59 VAL HA 1 63 LYS H 4.500 . 6.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
962 1 59 VAL HB 1 59 VAL MG1 1.900 . 2.400 2.127 2.127 2.127 . 0 0 "[ ]" 1
963 1 59 VAL HB 1 59 VAL QG 2.000 . 2.500 1.893 1.893 1.893 . 0 0 "[ ]" 1
964 1 59 VAL HB 1 60 GLN H 3.700 . 5.400 3.789 3.789 3.789 . 0 0 "[ ]" 1
965 1 59 VAL MG1 1 60 GLN H 2.500 . 3.300 2.084 2.084 2.084 . 0 0 "[ ]" 1
966 1 59 VAL MG2 1 62 ALA H 4.200 . 6.000 5.164 5.164 5.164 . 0 0 "[ ]" 1
967 1 59 VAL MG2 1 63 LYS H 3.900 . 5.800 4.337 4.337 4.337 . 0 0 "[ ]" 1
968 1 59 VAL MG2 1 63 LYS QB 3.000 . 3.300 3.355 3.355 3.355 0.055 1 0 "[ ]" 1
969 1 60 GLN H 1 60 GLN HA 2.900 . 4.000 2.874 2.874 2.874 . 0 0 "[ ]" 1
970 1 60 GLN H 1 60 GLN HB3 2.200 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 1
971 1 60 GLN H 1 60 GLN HG2 3.000 . 4.100 2.298 2.298 2.298 . 0 0 "[ ]" 1
972 1 60 GLN H 1 60 GLN HG3 2.200 . 2.800 2.913 2.913 2.913 0.113 1 0 "[ ]" 1
973 1 60 GLN H 1 61 GLN H 2.200 . 2.800 2.442 2.442 2.442 . 0 0 "[ ]" 1
974 1 60 GLN H 1 62 ALA H 4.200 . 6.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
975 1 60 GLN HA 1 60 GLN HB3 2.200 . 2.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
976 1 60 GLN HA 1 61 GLN H 3.800 . 5.600 3.474 3.474 3.474 . 0 0 "[ ]" 1
977 1 60 GLN HA 1 63 LYS H 2.600 . 3.400 3.402 3.402 3.402 0.002 1 0 "[ ]" 1
978 1 60 GLN HA 1 64 ARG H 2.200 . 2.800 2.695 2.695 2.695 . 0 0 "[ ]" 1
979 1 60 GLN HA 1 63 LYS H 3.500 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
980 1 60 GLN HA 1 64 ARG H 4.200 . 6.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
981 1 60 GLN QB 1 61 GLN H 4.200 . 6.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
982 1 60 GLN HB3 1 60 GLN HG3 2.200 . 2.800 2.997 2.997 2.997 0.197 1 0 "[ ]" 1
983 1 60 GLN HE21 1 60 GLN HG3 2.500 . 3.300 2.232 2.232 2.232 . 0 0 "[ ]" 1
984 1 60 GLN HE21 1 61 GLN HG2 2.600 . 3.400 2.444 2.444 2.444 . 0 0 "[ ]" 1
985 1 60 GLN QG 1 61 GLN H 4.100 . 6.000 2.174 2.174 2.174 . 0 0 "[ ]" 1
986 1 60 GLN HG2 1 61 GLN H 2.700 . 3.600 3.097 3.097 3.097 . 0 0 "[ ]" 1
987 1 60 GLN HG3 1 61 GLN H 3.000 . 4.100 2.220 2.220 2.220 . 0 0 "[ ]" 1
988 1 61 GLN H 1 61 GLN HA 2.900 . 4.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
989 1 61 GLN H 1 61 GLN QB 2.100 . 2.700 2.326 2.326 2.326 . 0 0 "[ ]" 1
990 1 61 GLN H 1 61 GLN HG2 3.400 . 4.800 2.814 2.814 2.814 . 0 0 "[ ]" 1
991 1 61 GLN H 1 61 GLN HG3 3.500 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
992 1 61 GLN H 1 62 ALA H 2.900 . 4.000 2.662 2.662 2.662 . 0 0 "[ ]" 1
993 1 61 GLN HA 1 61 GLN HG2 2.500 . 3.300 2.314 2.314 2.314 . 0 0 "[ ]" 1
994 1 61 GLN HA 1 61 GLN HG3 2.700 . 3.600 3.582 3.582 3.582 . 0 0 "[ ]" 1
995 1 61 GLN HA 1 62 ALA H 3.300 . 4.700 3.568 3.568 3.568 . 0 0 "[ ]" 1
996 1 61 GLN HA 1 64 ARG H 3.700 . 5.400 3.775 3.775 3.775 . 0 0 "[ ]" 1
997 1 61 GLN HA 1 65 GLU H 4.500 . 6.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
998 1 61 GLN QB 1 61 GLN HG2 2.300 . 3.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
999 1 61 GLN QB 1 62 ALA H 2.200 . 2.800 2.272 2.272 2.272 . 0 0 "[ ]" 1
1000 1 61 GLN HE21 1 61 GLN HG2 3.000 . 4.100 2.992 2.992 2.992 . 0 0 "[ ]" 1
1001 1 61 GLN HE21 1 61 GLN HG3 3.000 . 4.100 2.225 2.225 2.225 . 0 0 "[ ]" 1
1002 1 62 ALA H 1 62 ALA HA 2.300 . 3.000 2.813 2.813 2.813 . 0 0 "[ ]" 1
1003 1 62 ALA H 1 62 ALA MB 1.900 . 2.400 2.130 2.130 2.130 . 0 0 "[ ]" 1
1004 1 62 ALA H 1 63 LYS H 2.200 . 2.800 2.613 2.613 2.613 . 0 0 "[ ]" 1
1005 1 62 ALA H 1 64 ARG H 4.200 . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
1006 1 62 ALA HA 1 63 LYS H 3.800 . 5.600 3.504 3.504 3.504 . 0 0 "[ ]" 1
1007 1 62 ALA HA 1 65 GLU H 3.700 . 5.400 3.425 3.425 3.425 . 0 0 "[ ]" 1
1008 1 62 ALA HA 1 65 GLU HB2 2.400 . 3.100 2.820 2.820 2.820 . 0 0 "[ ]" 1
1009 1 62 ALA HA 1 65 GLU QG 2.800 . 3.800 3.543 3.543 3.543 . 0 0 "[ ]" 1
1010 1 62 ALA MB 1 63 LYS H 4.400 . 6.000 2.711 2.711 2.711 . 0 0 "[ ]" 1
1011 1 62 ALA MB 1 63 LYS H 2.200 . 2.800 2.343 2.343 2.343 . 0 0 "[ ]" 1
1012 1 63 LYS H 1 63 LYS HA 2.400 . 3.100 2.802 2.802 2.802 . 0 0 "[ ]" 1
1013 1 63 LYS H 1 63 LYS HB2 2.800 . 3.800 2.563 2.563 2.563 . 0 0 "[ ]" 1
1014 1 63 LYS H 1 63 LYS HB3 2.100 . 2.700 2.460 2.460 2.460 . 0 0 "[ ]" 1
1015 1 63 LYS H 1 63 LYS HG2 3.900 . 5.800 4.373 4.373 4.373 . 0 0 "[ ]" 1
1016 1 63 LYS H 1 63 LYS HG3 4.700 . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
1017 1 63 LYS H 1 64 ARG H 3.100 . 4.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
1018 1 63 LYS HA 1 63 LYS HB3 2.600 . 3.400 3.022 3.022 3.022 . 0 0 "[ ]" 1
1019 1 63 LYS HA 1 63 LYS HG2 2.300 . 3.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
1020 1 63 LYS HA 1 64 ARG H 2.900 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
1021 1 63 LYS HA 1 66 LEU H 2.900 . 4.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
1022 1 63 LYS HA 1 66 LEU QB 2.700 . 3.600 3.249 3.249 3.249 . 0 0 "[ ]" 1
1023 1 63 LYS HA 1 67 LEU H 4.500 . 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
1024 1 63 LYS HB3 1 63 LYS HG2 2.400 . 3.100 2.843 2.843 2.843 . 0 0 "[ ]" 1
1025 1 63 LYS HB3 1 63 LYS HG2 2.300 . 3.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
1026 1 63 LYS HB3 1 63 LYS HG3 2.000 . 2.500 2.593 2.593 2.593 0.093 1 0 "[ ]" 1
1027 1 63 LYS HB3 1 64 ARG H 3.300 . 4.700 2.197 2.197 2.197 . 0 0 "[ ]" 1
1028 1 63 LYS HB3 1 64 ARG H 2.100 . 2.700 1.923 1.923 1.923 . 0 0 "[ ]" 1
1029 1 63 LYS HB3 1 64 ARG H 2.000 . 2.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
1030 1 63 LYS QE 1 63 LYS HG2 2.600 . 3.400 2.268 2.268 2.268 . 0 0 "[ ]" 1
1031 1 63 LYS HE2 1 63 LYS HG2 2.500 . 3.300 2.474 2.474 2.474 . 0 0 "[ ]" 1
1032 1 63 LYS HE2 1 64 ARG HA 3.200 . 4.500 3.112 3.112 3.112 . 0 0 "[ ]" 1
1033 1 63 LYS HE3 1 63 LYS HG3 2.400 . 3.100 2.741 2.741 2.741 . 0 0 "[ ]" 1
1034 1 63 LYS HG2 1 64 ARG H 3.000 . 4.100 3.627 3.627 3.627 . 0 0 "[ ]" 1
1035 1 64 ARG H 1 64 ARG HA 2.900 . 4.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
1036 1 64 ARG H 1 64 ARG HB2 2.300 . 3.000 2.124 2.124 2.124 . 0 0 "[ ]" 1
1037 1 64 ARG H 1 64 ARG HG2 3.100 . 4.300 4.330 4.330 4.330 0.030 1 0 "[ ]" 1
1038 1 64 ARG H 1 64 ARG HG3 4.000 . 6.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
1039 1 64 ARG H 1 65 GLU H 2.200 . 2.800 2.609 2.609 2.609 . 0 0 "[ ]" 1
1040 1 64 ARG H 1 66 LEU QD 5.000 . 5.300 4.851 4.851 4.851 . 0 0 "[ ]" 1
1041 1 64 ARG HA 1 64 ARG HB2 2.100 . 2.700 2.416 2.416 2.416 . 0 0 "[ ]" 1
1042 1 64 ARG HA 1 64 ARG QD 3.100 . 4.300 3.867 3.867 3.867 . 0 0 "[ ]" 1
1043 1 64 ARG HA 1 64 ARG HG2 2.600 . 3.400 2.240 2.240 2.240 . 0 0 "[ ]" 1
1044 1 64 ARG HA 1 64 ARG HG3 2.500 . 3.300 2.752 2.752 2.752 . 0 0 "[ ]" 1
1045 1 64 ARG HA 1 65 GLU H 3.200 . 4.500 3.508 3.508 3.508 . 0 0 "[ ]" 1
1046 1 64 ARG HA 1 67 LEU H 3.000 . 4.100 3.355 3.355 3.355 . 0 0 "[ ]" 1
1047 1 64 ARG HB2 1 64 ARG QD 2.400 . 3.100 2.981 2.981 2.981 . 0 0 "[ ]" 1
1048 1 64 ARG HB3 1 64 ARG QD 2.600 . 3.400 2.075 2.075 2.075 . 0 0 "[ ]" 1
1049 1 64 ARG QD 1 64 ARG HG2 2.200 . 2.800 2.166 2.166 2.166 . 0 0 "[ ]" 1
1050 1 64 ARG QD 1 64 ARG HG3 2.200 . 2.800 2.493 2.493 2.493 . 0 0 "[ ]" 1
1051 1 65 GLU H 1 65 GLU HA 3.000 . 4.100 2.811 2.811 2.811 . 0 0 "[ ]" 1
1052 1 65 GLU H 1 65 GLU HA 2.100 . 2.700 2.632 2.632 2.632 . 0 0 "[ ]" 1
1053 1 65 GLU H 1 65 GLU HB2 2.000 . 2.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
1054 1 65 GLU H 1 65 GLU QG 3.300 . 4.700 4.037 4.037 4.037 . 0 0 "[ ]" 1
1055 1 65 GLU H 1 66 LEU H 2.200 . 2.800 2.668 2.668 2.668 . 0 0 "[ ]" 1
1056 1 65 GLU HA 1 66 LEU H 2.300 . 3.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
1057 1 65 GLU HA 1 68 GLU H 3.700 . 5.400 3.711 3.711 3.711 . 0 0 "[ ]" 1
1058 1 65 GLU HA 1 69 LEU H 4.500 . 6.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
1059 1 65 GLU HB3 1 66 LEU H 3.400 . 4.800 2.651 2.651 2.651 . 0 0 "[ ]" 1
1060 1 65 GLU QG 1 69 LEU QB 2.700 . 3.600 2.737 2.737 2.737 . 0 0 "[ ]" 1
1061 1 65 GLU QG 1 69 LEU MD1 2.300 . 3.000 2.076 2.076 2.076 . 0 0 "[ ]" 1
1062 1 66 LEU H 1 66 LEU QB 2.000 . 2.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
1063 1 66 LEU H 1 66 LEU HG 2.500 . 3.300 2.546 2.546 2.546 . 0 0 "[ ]" 1
1064 1 66 LEU H 1 67 LEU H 2.200 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 1
1065 1 66 LEU H 1 70 ALA H 4.500 . 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
1066 1 66 LEU HA 1 66 LEU HG 2.200 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
1067 1 66 LEU HA 1 66 LEU HG 2.300 . 3.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
1068 1 66 LEU HA 1 67 LEU H 2.300 . 3.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
1069 1 66 LEU HA 1 69 LEU H 3.700 . 5.400 3.960 3.960 3.960 . 0 0 "[ ]" 1
1070 1 66 LEU HA 1 70 ALA H 2.800 . 3.800 2.158 2.158 2.158 . 0 0 "[ ]" 1
1071 1 66 LEU HA 1 71 SER H 3.100 . 4.300 3.526 3.526 3.526 . 0 0 "[ ]" 1
1072 1 66 LEU QB 1 67 LEU H 2.000 . 2.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
1073 1 67 LEU H 1 67 LEU QB 2.100 . 2.700 2.109 2.109 2.109 . 0 0 "[ ]" 1
1074 1 67 LEU H 1 67 LEU MD1 5.200 . 6.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
1075 1 67 LEU H 1 67 LEU MD2 3.200 . 4.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
1076 1 67 LEU H 1 67 LEU HG 3.100 . 4.300 4.361 4.361 4.361 0.061 1 0 "[ ]" 1
1077 1 67 LEU H 1 68 GLU H 2.300 . 3.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
1078 1 67 LEU HA 1 67 LEU HG 2.100 . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 1
1079 1 67 LEU HA 1 68 GLU H 3.800 . 5.600 3.448 3.448 3.448 . 0 0 "[ ]" 1
1080 1 67 LEU HA 1 70 ALA H 3.500 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1
1081 1 68 GLU H 1 68 GLU HA 3.000 . 4.100 2.943 2.943 2.943 . 0 0 "[ ]" 1
1082 1 68 GLU H 1 68 GLU QG 2.500 . 3.300 2.760 2.760 2.760 . 0 0 "[ ]" 1
1083 1 68 GLU H 1 70 ALA H 4.200 . 6.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
1084 1 68 GLU HA 1 68 GLU QG 2.800 . 3.800 2.304 2.304 2.304 . 0 0 "[ ]" 1
1085 1 68 GLU HA 1 69 LEU H 3.800 . 5.600 3.569 3.569 3.569 . 0 0 "[ ]" 1
1086 1 68 GLU HB3 1 69 LEU QD 2.600 . 3.400 2.920 2.920 2.920 . 0 0 "[ ]" 1
1087 1 69 LEU H 1 69 LEU HA 2.300 . 3.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
1088 1 69 LEU H 1 69 LEU QB 3.000 . 4.100 2.559 2.559 2.559 . 0 0 "[ ]" 1
1089 1 69 LEU H 1 69 LEU MD1 3.000 . 4.100 3.575 3.575 3.575 . 0 0 "[ ]" 1
1090 1 69 LEU H 1 69 LEU HG 2.400 . 3.100 1.969 1.969 1.969 . 0 0 "[ ]" 1
1091 1 69 LEU H 1 70 ALA H 3.000 . 4.100 2.552 2.552 2.552 . 0 0 "[ ]" 1
1092 1 69 LEU HA 1 69 LEU MD2 2.000 . 2.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
1093 1 69 LEU HA 1 70 ALA H 3.500 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
1094 1 69 LEU QB 1 70 ALA H 2.800 . 3.800 2.423 2.423 2.423 . 0 0 "[ ]" 1
1095 1 69 LEU QD 1 69 LEU HG 2.000 . 2.500 1.888 1.888 1.888 . 0 0 "[ ]" 1
1096 1 69 LEU QD 1 70 ALA H 5.000 . 6.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
1097 1 70 ALA H 1 70 ALA HA 2.600 . 3.400 2.291 2.291 2.291 . 0 0 "[ ]" 1
1098 1 70 ALA H 1 70 ALA MB 3.200 . 4.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
1099 1 70 ALA HA 1 70 ALA MB 2.000 . 2.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
1100 1 70 ALA HA 1 71 SER H 3.800 . 5.600 2.868 2.868 2.868 . 0 0 "[ ]" 1
1101 1 70 ALA HA 1 71 SER H 2.400 . 3.100 2.565 2.565 2.565 . 0 0 "[ ]" 1
1102 1 70 ALA MB 1 71 SER H 3.700 . 5.400 3.646 3.646 3.646 . 0 0 "[ ]" 1
1103 1 71 SER H 1 71 SER HA 3.000 . 4.100 2.891 2.891 2.891 . 0 0 "[ ]" 1
1104 1 71 SER H 1 71 SER QB 2.300 . 3.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
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