NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
399210 |
1u2f   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u2f
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 903
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 3.078
_Distance_constraint_stats_list.Viol_max 0.450
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0453
_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 3 ARG 0.000 0.000 . 0 "[ ]"
1 4 LEU 0.174 0.133 1 0 "[ ]"
1 5 TYR 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.238 0.103 1 0 "[ ]"
1 7 GLY 0.076 0.062 1 0 "[ ]"
1 8 ASN 0.099 0.044 1 0 "[ ]"
1 9 ILE 0.044 0.044 1 0 "[ ]"
1 10 PRO 0.000 0.000 . 0 "[ ]"
1 11 PHE 0.035 0.035 1 0 "[ ]"
1 12 GLY 0.000 0.000 . 0 "[ ]"
1 13 ILE 0.056 0.056 1 0 "[ ]"
1 14 THR 0.006 0.006 1 0 "[ ]"
1 15 GLU 0.000 0.000 . 0 "[ ]"
1 16 GLU 0.010 0.006 1 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 MET 0.070 0.063 1 0 "[ ]"
1 20 ASP 0.181 0.063 1 0 "[ ]"
1 21 PHE 0.054 0.028 1 0 "[ ]"
1 22 PHE 0.067 0.067 1 0 "[ ]"
1 23 ASN 0.297 0.067 1 0 "[ ]"
1 24 ALA 0.111 0.042 1 0 "[ ]"
1 25 GLN 0.071 0.060 1 0 "[ ]"
1 26 MET 0.072 0.044 1 0 "[ ]"
1 27 ARG 0.036 0.036 1 0 "[ ]"
1 28 LEU 0.005 0.005 1 0 "[ ]"
1 29 GLY 0.005 0.005 1 0 "[ ]"
1 30 GLY 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 32 THR 0.037 0.020 1 0 "[ ]"
1 33 GLN 0.040 0.040 1 0 "[ ]"
1 34 ALA 0.099 0.042 1 0 "[ ]"
1 35 PRO 0.042 0.042 1 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 ASN 0.000 0.000 . 0 "[ ]"
1 38 PRO 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.052 0.035 1 0 "[ ]"
1 40 LEU 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.066 0.059 1 0 "[ ]"
1 42 VAL 0.189 0.189 1 0 "[ ]"
1 43 GLN 0.000 0.000 . 0 "[ ]"
1 44 ILE 0.039 0.039 1 0 "[ ]"
1 45 ASN 0.055 0.039 1 0 "[ ]"
1 50 PHE 0.062 0.035 1 0 "[ ]"
1 51 ALA 0.083 0.050 1 0 "[ ]"
1 52 PHE 0.000 0.000 . 0 "[ ]"
1 53 LEU 0.353 0.189 1 0 "[ ]"
1 54 GLU 0.194 0.064 1 0 "[ ]"
1 55 PHE 0.098 0.053 1 0 "[ ]"
1 56 ARG 0.026 0.026 1 0 "[ ]"
1 57 SER 0.053 0.053 1 0 "[ ]"
1 58 VAL 0.000 0.000 . 0 "[ ]"
1 59 ASP 0.000 0.000 . 0 "[ ]"
1 60 GLU 0.000 0.000 . 0 "[ ]"
1 61 THR 0.000 0.000 . 0 "[ ]"
1 62 THR 0.065 0.059 1 0 "[ ]"
1 63 GLN 0.078 0.059 1 0 "[ ]"
1 64 ALA 0.080 0.080 1 0 "[ ]"
1 65 MET 0.019 0.019 1 0 "[ ]"
1 66 ALA 0.000 0.000 . 0 "[ ]"
1 67 PHE 0.158 0.080 1 0 "[ ]"
1 68 ASP 0.191 0.066 1 0 "[ ]"
1 69 GLY 0.068 0.058 1 0 "[ ]"
1 70 ILE 0.217 0.111 1 0 "[ ]"
1 71 ILE 0.111 0.111 1 0 "[ ]"
1 72 PHE 0.166 0.089 1 0 "[ ]"
1 73 GLN 0.000 0.000 . 0 "[ ]"
1 74 GLY 0.000 0.000 . 0 "[ ]"
1 75 GLN 0.014 0.014 1 0 "[ ]"
1 76 SER 0.450 0.450 1 0 "[ ]"
1 77 LEU 0.173 0.089 1 0 "[ ]"
1 78 LYS 0.024 0.014 1 0 "[ ]"
1 79 ILE 0.018 0.018 1 0 "[ ]"
1 80 ARG 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 82 PRO 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 86 GLN 0.000 0.000 . 0 "[ ]"
1 87 PRO 0.000 0.000 . 0 "[ ]"
1 88 LEU 0.000 0.000 . 0 "[ ]"
1 89 PRO 0.003 0.003 1 0 "[ ]"
1 90 GLY 0.003 0.003 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 3 ARG H 1 3 ARG HA 2.600 . 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
2 1 3 ARG H 1 3 ARG HB2 2.600 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
3 1 3 ARG H 1 3 ARG HB3 2.100 . 2.500 2.469 2.469 2.469 . 0 0 "[ ]" 1
4 1 3 ARG H 1 61 THR HG1 3.100 . 4.500 4.290 4.290 4.290 . 0 0 "[ ]" 1
5 1 3 ARG HA 1 3 ARG HB2 2.600 . 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
6 1 3 ARG HA 1 3 ARG HB3 2.600 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
7 1 3 ARG HA 1 3 ARG QG 2.500 . 3.100 2.479 2.479 2.479 . 0 0 "[ ]" 1
8 1 3 ARG HA 1 4 LEU H 2.100 . 2.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
9 1 3 ARG HA 1 53 LEU H 3.400 . 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
10 1 3 ARG HA 1 54 GLU HA 2.600 . 3.500 2.570 2.570 2.570 . 0 0 "[ ]" 1
11 1 3 ARG HA 1 55 PHE H 2.600 . 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
12 1 3 ARG HA 1 55 PHE QD 3.600 . 5.500 4.672 4.672 4.672 . 0 0 "[ ]" 1
13 1 3 ARG HA 1 61 THR HG1 3.900 . 6.000 4.978 4.978 4.978 . 0 0 "[ ]" 1
14 1 3 ARG HB2 1 3 ARG QD 2.600 . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
15 1 3 ARG HB2 1 54 GLU HA 2.600 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
16 1 3 ARG QG 1 4 LEU H 2.600 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
17 1 3 ARG QG 1 52 PHE QD 4.200 . 6.500 1.932 1.932 1.932 . 0 0 "[ ]" 1
18 1 3 ARG QG 1 52 PHE HZ 3.600 . 5.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
19 1 4 LEU H 1 4 LEU HB3 2.600 . 3.500 3.633 3.633 3.633 0.133 1 0 "[ ]" 1
20 1 4 LEU H 1 4 LEU QD 3.500 . 5.200 3.617 3.617 3.617 . 0 0 "[ ]" 1
21 1 4 LEU H 1 53 LEU H 2.100 . 2.500 2.527 2.527 2.527 0.027 1 0 "[ ]" 1
22 1 4 LEU H 1 53 LEU QD 4.600 . 7.400 3.486 3.486 3.486 . 0 0 "[ ]" 1
23 1 4 LEU H 1 53 LEU O 2.000 . 2.200 2.214 2.214 2.214 0.014 1 0 "[ ]" 1
24 1 4 LEU H 1 55 PHE QE 3.600 . 5.500 4.120 4.120 4.120 . 0 0 "[ ]" 1
25 1 4 LEU HA 1 4 LEU HB3 2.600 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
26 1 4 LEU HA 1 4 LEU HG 3.100 . 4.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
27 1 4 LEU HA 1 5 TYR H 2.600 . 3.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
28 1 4 LEU HA 1 81 ARG HA 3.400 . 5.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
29 1 4 LEU HA 1 82 PRO HD2 3.400 . 5.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
30 1 4 LEU HA 1 82 PRO QD 3.100 . 4.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
31 1 4 LEU HA 1 82 PRO HD3 2.600 . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
32 1 4 LEU HB3 1 5 TYR H 2.600 . 3.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
33 1 4 LEU QD 1 5 TYR H 3.900 . 6.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
34 1 4 LEU QD 1 55 PHE QE 4.400 . 6.900 1.817 1.817 1.817 . 0 0 "[ ]" 1
35 1 4 LEU QD 1 65 MET H 3.400 . 5.000 2.948 2.948 2.948 . 0 0 "[ ]" 1
36 1 4 LEU QD 1 65 MET QG 4.400 . 6.900 2.244 2.244 2.244 . 0 0 "[ ]" 1
37 1 4 LEU N 1 53 LEU O 2.500 . 3.300 3.143 3.143 3.143 . 0 0 "[ ]" 1
38 1 4 LEU O 1 53 LEU H 2.000 . 2.200 2.047 2.047 2.047 . 0 0 "[ ]" 1
39 1 4 LEU O 1 53 LEU N 2.500 . 3.300 2.954 2.954 2.954 . 0 0 "[ ]" 1
40 1 5 TYR H 1 5 TYR HB2 2.600 . 3.500 3.169 3.169 3.169 . 0 0 "[ ]" 1
41 1 5 TYR H 1 5 TYR HB3 2.600 . 3.500 2.403 2.403 2.403 . 0 0 "[ ]" 1
42 1 5 TYR H 1 5 TYR QD 3.600 . 5.500 3.924 3.924 3.924 . 0 0 "[ ]" 1
43 1 5 TYR H 1 82 PRO QD 3.100 . 4.500 2.218 2.218 2.218 . 0 0 "[ ]" 1
44 1 5 TYR HA 1 5 TYR QD 3.100 . 4.500 3.135 3.135 3.135 . 0 0 "[ ]" 1
45 1 5 TYR HA 1 6 VAL H 2.100 . 2.500 2.288 2.288 2.288 . 0 0 "[ ]" 1
46 1 5 TYR HA 1 52 PHE QD 3.600 . 5.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
47 1 5 TYR HB2 1 5 TYR QD 2.600 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
48 1 5 TYR HB2 1 52 PHE QD 3.600 . 5.500 3.659 3.659 3.659 . 0 0 "[ ]" 1
49 1 5 TYR HB2 1 52 PHE QE 3.600 . 5.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
50 1 5 TYR HB2 1 80 ARG H 3.100 . 4.500 4.494 4.494 4.494 . 0 0 "[ ]" 1
51 1 5 TYR HB2 1 80 ARG HB2 2.600 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
52 1 5 TYR HB3 1 5 TYR QD 2.600 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
53 1 5 TYR HB3 1 52 PHE QD 3.600 . 5.500 4.829 4.829 4.829 . 0 0 "[ ]" 1
54 1 5 TYR HB3 1 52 PHE QE 3.100 . 4.500 3.615 3.615 3.615 . 0 0 "[ ]" 1
55 1 5 TYR HB3 1 80 ARG H 2.600 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
56 1 5 TYR QD 1 6 VAL H 3.600 . 5.500 3.193 3.193 3.193 . 0 0 "[ ]" 1
57 1 5 TYR QD 1 6 VAL HB 3.600 . 5.500 5.150 5.150 5.150 . 0 0 "[ ]" 1
58 1 5 TYR QD 1 7 GLY H 3.600 . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
59 1 5 TYR QD 1 52 PHE QE 4.200 . 6.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
60 1 5 TYR QD 1 79 ILE HA 3.600 . 5.500 3.200 3.200 3.200 . 0 0 "[ ]" 1
61 1 5 TYR QD 1 80 ARG H 3.600 . 5.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
62 1 5 TYR QD 1 80 ARG HB2 3.600 . 5.500 1.861 1.861 1.861 . 0 0 "[ ]" 1
63 1 5 TYR QD 1 80 ARG HB3 3.600 . 5.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
64 1 5 TYR QE 1 7 GLY H 3.600 . 5.500 3.575 3.575 3.575 . 0 0 "[ ]" 1
65 1 5 TYR QE 1 7 GLY HA2 3.600 . 5.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
66 1 5 TYR QE 1 50 PHE QB 4.200 . 6.500 2.139 2.139 2.139 . 0 0 "[ ]" 1
67 1 5 TYR QE 1 50 PHE QD 4.700 . 7.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
68 1 5 TYR QE 1 51 ALA H 4.400 . 7.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
69 1 6 VAL H 1 6 VAL MG1 3.900 . 6.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
70 1 6 VAL H 1 6 VAL MG2 2.600 . 3.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
71 1 6 VAL H 1 51 ALA H 2.600 . 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 1
72 1 6 VAL H 1 51 ALA MB 3.200 . 4.700 3.804 3.804 3.804 . 0 0 "[ ]" 1
73 1 6 VAL H 1 51 ALA O 2.000 . 2.200 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
74 1 6 VAL H 1 52 PHE HA 2.600 . 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
75 1 6 VAL H 1 52 PHE QD 4.400 . 7.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
76 1 6 VAL HA 1 6 VAL HB 2.600 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
77 1 6 VAL HA 1 6 VAL MG1 2.900 . 4.000 2.258 2.258 2.258 . 0 0 "[ ]" 1
78 1 6 VAL HA 1 6 VAL MG2 2.900 . 4.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
79 1 6 VAL HA 1 7 GLY H 2.600 . 3.500 2.331 2.331 2.331 . 0 0 "[ ]" 1
80 1 6 VAL HA 1 79 ILE MD 3.900 . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
81 1 6 VAL HA 1 79 ILE QG 3.100 . 4.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
82 1 6 VAL HA 1 79 ILE MG 3.100 . 4.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
83 1 6 VAL HB 1 7 GLY H 2.600 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
84 1 6 VAL HB 1 51 ALA H 2.600 . 3.500 2.658 2.658 2.658 . 0 0 "[ ]" 1
85 1 6 VAL HB 1 51 ALA MB 2.600 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
86 1 6 VAL MG1 1 7 GLY H 3.100 . 4.500 1.896 1.896 1.896 . 0 0 "[ ]" 1
87 1 6 VAL MG1 1 18 MET ME 3.100 . 4.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
88 1 6 VAL MG1 1 51 ALA H 3.900 . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
89 1 6 VAL MG1 1 53 LEU QD 4.400 . 6.900 3.211 3.211 3.211 . 0 0 "[ ]" 1
90 1 6 VAL MG1 1 77 LEU HB2 3.100 . 4.500 3.460 3.460 3.460 . 0 0 "[ ]" 1
91 1 6 VAL MG1 1 78 LYS H 3.100 . 4.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
92 1 6 VAL MG2 1 7 GLY H 3.600 . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
93 1 6 VAL MG2 1 22 PHE QE 3.600 . 5.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
94 1 6 VAL MG2 1 51 ALA MB 3.900 . 6.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
95 1 6 VAL MG2 1 53 LEU H 3.100 . 4.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
96 1 6 VAL MG2 1 53 LEU QD 3.900 . 6.000 1.797 1.797 1.797 0.103 1 0 "[ ]" 1
97 1 6 VAL MG2 1 79 ILE HA 3.100 . 4.500 3.394 3.394 3.394 . 0 0 "[ ]" 1
98 1 6 VAL MG2 1 79 ILE QG 3.100 . 4.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
99 1 6 VAL N 1 51 ALA O 2.500 . 3.300 2.657 2.657 2.657 . 0 0 "[ ]" 1
100 1 6 VAL O 1 51 ALA H 2.000 . 2.200 2.250 2.250 2.250 0.050 1 0 "[ ]" 1
101 1 6 VAL O 1 51 ALA N 2.500 . 3.300 3.199 3.199 3.199 . 0 0 "[ ]" 1
102 1 7 GLY H 1 7 GLY HA2 2.600 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
103 1 7 GLY H 1 78 LYS H 2.600 . 3.500 2.137 2.137 2.137 . 0 0 "[ ]" 1
104 1 7 GLY H 1 79 ILE H 3.400 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
105 1 7 GLY H 1 79 ILE HA 3.400 . 5.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
106 1 7 GLY HA2 1 8 ASN H 2.600 . 3.500 2.495 2.495 2.495 . 0 0 "[ ]" 1
107 1 7 GLY HA2 1 50 PHE HA 2.600 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
108 1 7 GLY O 1 78 LYS H 2.000 . 2.200 2.214 2.214 2.214 0.014 1 0 "[ ]" 1
109 1 7 GLY O 1 78 LYS N 2.500 . 3.300 2.729 2.729 2.729 . 0 0 "[ ]" 1
110 1 8 ASN H 1 8 ASN HA 2.600 . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
111 1 8 ASN H 1 9 ILE H 2.100 . 2.500 2.544 2.544 2.544 0.044 1 0 "[ ]" 1
112 1 8 ASN H 1 9 ILE MG 3.100 . 4.500 3.460 3.460 3.460 . 0 0 "[ ]" 1
113 1 8 ASN H 1 50 PHE HA 3.400 . 5.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
114 1 8 ASN HA 1 8 ASN HB3 2.100 . 2.500 2.543 2.543 2.543 0.043 1 0 "[ ]" 1
115 1 8 ASN HA 1 8 ASN HD21 2.600 . 3.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
116 1 8 ASN HA 1 9 ILE H 2.600 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
117 1 8 ASN HB2 1 8 ASN HD21 2.100 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 1
118 1 8 ASN HB3 1 8 ASN HD22 3.400 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
119 1 9 ILE H 1 9 ILE HA 2.600 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
120 1 9 ILE H 1 9 ILE HB 3.400 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
121 1 9 ILE H 1 9 ILE MD 3.100 . 4.500 3.744 3.744 3.744 . 0 0 "[ ]" 1
122 1 9 ILE H 1 9 ILE HG12 2.600 . 3.500 3.473 3.473 3.473 . 0 0 "[ ]" 1
123 1 9 ILE H 1 9 ILE HG13 2.600 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
124 1 9 ILE H 1 9 ILE MG 3.100 . 4.500 1.978 1.978 1.978 . 0 0 "[ ]" 1
125 1 9 ILE H 1 10 PRO HD3 3.400 . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
126 1 9 ILE H 1 50 PHE HA 3.400 . 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
127 1 9 ILE HA 1 9 ILE MD 2.900 . 4.000 3.305 3.305 3.305 . 0 0 "[ ]" 1
128 1 9 ILE HA 1 10 PRO HD2 2.100 . 2.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
129 1 9 ILE HA 1 10 PRO HD3 2.100 . 2.500 1.900 1.900 1.900 . 0 0 "[ ]" 1
130 1 9 ILE HA 1 72 PHE QD 3.600 . 5.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
131 1 9 ILE HB 1 9 ILE MD 2.600 . 3.500 2.021 2.021 2.021 . 0 0 "[ ]" 1
132 1 9 ILE HB 1 9 ILE HG12 2.600 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
133 1 9 ILE HB 1 9 ILE HG13 2.600 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
134 1 9 ILE HB 1 50 PHE HA 3.400 . 5.000 4.670 4.670 4.670 . 0 0 "[ ]" 1
135 1 9 ILE MD 1 9 ILE MG 3.100 . 4.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
136 1 9 ILE MD 1 50 PHE H 3.100 . 4.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
137 1 9 ILE MD 1 51 ALA MB 3.100 . 4.500 2.644 2.644 2.644 . 0 0 "[ ]" 1
138 1 9 ILE HG12 1 50 PHE H 3.400 . 5.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
139 1 9 ILE HG12 1 51 ALA H 3.400 . 5.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
140 1 9 ILE MG 1 50 PHE HA 3.100 . 4.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
141 1 10 PRO HA 1 11 PHE H 2.100 . 2.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
142 1 10 PRO QB 1 73 GLN HB3 3.100 . 4.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
143 1 10 PRO HD2 1 10 PRO QG 2.600 . 3.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
144 1 10 PRO HD2 1 13 ILE MG 3.100 . 4.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
145 1 10 PRO HD2 1 72 PHE QD 3.600 . 5.500 1.908 1.908 1.908 . 0 0 "[ ]" 1
146 1 10 PRO HD2 1 72 PHE QE 3.600 . 5.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
147 1 10 PRO HD2 1 75 GLN QG 3.900 . 6.000 5.141 5.141 5.141 . 0 0 "[ ]" 1
148 1 10 PRO HD2 1 77 LEU QD 3.900 . 6.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
149 1 10 PRO HD3 1 72 PHE QD 3.600 . 5.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
150 1 10 PRO HD3 1 77 LEU QD 3.400 . 5.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
151 1 10 PRO QG 1 11 PHE H 3.900 . 6.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
152 1 10 PRO HG2 1 72 PHE QD 4.200 . 6.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
153 1 10 PRO HG3 1 72 PHE QD 4.200 . 6.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
154 1 11 PHE H 1 11 PHE HB2 2.600 . 3.500 2.782 2.782 2.782 . 0 0 "[ ]" 1
155 1 11 PHE H 1 11 PHE HB3 2.100 . 2.500 2.370 2.370 2.370 . 0 0 "[ ]" 1
156 1 11 PHE HA 1 11 PHE HB2 2.100 . 2.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
157 1 11 PHE HA 1 11 PHE HB3 2.600 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
158 1 11 PHE HA 1 11 PHE QD 2.600 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
159 1 11 PHE HA 1 12 GLY H 2.100 . 2.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
160 1 11 PHE HB2 1 11 PHE QD 2.600 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
161 1 11 PHE HB2 1 13 ILE MG 3.900 . 6.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
162 1 11 PHE HB3 1 11 PHE QD 2.600 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
163 1 11 PHE HB3 1 50 PHE H 3.400 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
164 1 12 GLY H 1 12 GLY HA2 2.600 . 3.500 2.444 2.444 2.444 . 0 0 "[ ]" 1
165 1 12 GLY H 1 13 ILE H 3.400 . 5.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
166 1 12 GLY HA3 1 13 ILE H 2.600 . 3.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
167 1 13 ILE H 1 13 ILE HA 2.600 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
168 1 13 ILE H 1 13 ILE HB 2.100 . 2.500 2.556 2.556 2.556 0.056 1 0 "[ ]" 1
169 1 13 ILE H 1 13 ILE MG 2.600 . 3.500 1.886 1.886 1.886 . 0 0 "[ ]" 1
170 1 13 ILE HA 1 13 ILE HB 2.100 . 2.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
171 1 13 ILE HA 1 14 THR H 2.100 . 2.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
172 1 13 ILE HA 1 14 THR HG1 3.100 . 4.500 4.279 4.279 4.279 . 0 0 "[ ]" 1
173 1 13 ILE HB 1 14 THR H 3.400 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
174 1 13 ILE MD 1 14 THR H 2.600 . 3.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
175 1 13 ILE MD 1 15 GLU H 3.900 . 6.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
176 1 13 ILE MD 1 44 ILE MD 3.100 . 4.500 2.572 2.572 2.572 . 0 0 "[ ]" 1
177 1 13 ILE MG 1 72 PHE HZ 3.100 . 4.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
178 1 13 ILE MG 1 73 GLN HE22 3.100 . 4.500 3.682 3.682 3.682 . 0 0 "[ ]" 1
179 1 14 THR H 1 14 THR HA 2.600 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
180 1 14 THR H 1 14 THR HG1 2.600 . 3.500 1.998 1.998 1.998 . 0 0 "[ ]" 1
181 1 14 THR H 1 15 GLU H 3.400 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
182 1 14 THR H 1 16 GLU HB2 3.400 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
183 1 14 THR H 1 17 ALA MB 3.100 . 4.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
184 1 14 THR HA 1 14 THR HG1 2.900 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
185 1 14 THR HA 1 15 GLU H 2.600 . 3.500 2.733 2.733 2.733 . 0 0 "[ ]" 1
186 1 14 THR HA 1 16 GLU H 3.400 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
187 1 14 THR HA 1 44 ILE MD 3.100 . 4.500 3.257 3.257 3.257 . 0 0 "[ ]" 1
188 1 14 THR HB 1 15 GLU H 2.600 . 3.500 1.992 1.992 1.992 . 0 0 "[ ]" 1
189 1 14 THR HB 1 16 GLU H 3.400 . 5.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
190 1 14 THR HG1 1 15 GLU H 3.100 . 4.500 3.921 3.921 3.921 . 0 0 "[ ]" 1
191 1 14 THR HG1 1 16 GLU H 3.100 . 4.500 2.948 2.948 2.948 . 0 0 "[ ]" 1
192 1 15 GLU H 1 15 GLU HA 2.600 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
193 1 15 GLU H 1 15 GLU HB2 2.600 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
194 1 15 GLU H 1 15 GLU HB3 2.100 . 2.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
195 1 15 GLU H 1 15 GLU QG 3.100 . 4.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
196 1 15 GLU H 1 16 GLU H 2.600 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
197 1 15 GLU H 1 16 GLU HA 3.400 . 5.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
198 1 15 GLU H 1 17 ALA H 3.400 . 5.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
199 1 15 GLU H 1 44 ILE MD 3.900 . 6.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
200 1 15 GLU HA 1 15 GLU HB2 2.100 . 2.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
201 1 15 GLU HA 1 15 GLU QG 2.500 . 3.100 2.364 2.364 2.364 . 0 0 "[ ]" 1
202 1 15 GLU HA 1 16 GLU H 2.600 . 3.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
203 1 15 GLU HA 1 44 ILE MD 2.600 . 3.500 2.400 2.400 2.400 . 0 0 "[ ]" 1
204 1 15 GLU QG 1 44 ILE MD 3.600 . 5.500 3.768 3.768 3.768 . 0 0 "[ ]" 1
205 1 16 GLU H 1 16 GLU HA 2.600 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
206 1 16 GLU H 1 16 GLU HB2 2.100 . 2.500 2.362 2.362 2.362 . 0 0 "[ ]" 1
207 1 16 GLU H 1 16 GLU QG 2.600 . 3.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
208 1 16 GLU H 1 17 ALA H 2.600 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
209 1 16 GLU H 1 17 ALA MB 3.900 . 6.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
210 1 16 GLU HA 1 16 GLU HB3 2.600 . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
211 1 16 GLU HA 1 16 GLU QG 2.500 . 3.100 2.346 2.346 2.346 . 0 0 "[ ]" 1
212 1 16 GLU HA 1 17 ALA H 3.400 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
213 1 16 GLU HA 1 19 MET H 3.400 . 5.000 3.964 3.964 3.964 . 0 0 "[ ]" 1
214 1 16 GLU HA 1 19 MET HB3 2.100 . 2.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
215 1 16 GLU HA 1 20 ASP H 2.600 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
216 1 16 GLU HB2 1 17 ALA H 2.100 . 2.500 2.310 2.310 2.310 . 0 0 "[ ]" 1
217 1 16 GLU HB3 1 20 ASP H 3.400 . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
218 1 16 GLU QG 1 20 ASP H 3.900 . 6.000 5.195 5.195 5.195 . 0 0 "[ ]" 1
219 1 17 ALA H 1 17 ALA HA 2.600 . 3.500 2.768 2.768 2.768 . 0 0 "[ ]" 1
220 1 17 ALA H 1 17 ALA MB 2.500 . 3.100 2.161 2.161 2.161 . 0 0 "[ ]" 1
221 1 17 ALA HA 1 20 ASP H 3.400 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
222 1 17 ALA HA 1 72 PHE QE 3.600 . 5.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
223 1 17 ALA HA 1 72 PHE HZ 3.100 . 4.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
224 1 17 ALA MB 1 18 MET H 3.100 . 4.500 2.112 2.112 2.112 . 0 0 "[ ]" 1
225 1 17 ALA MB 1 19 MET H 3.900 . 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
226 1 17 ALA MB 1 72 PHE HZ 3.100 . 4.500 1.831 1.831 1.831 . 0 0 "[ ]" 1
227 1 18 MET H 1 18 MET QB 2.900 . 4.000 2.387 2.387 2.387 . 0 0 "[ ]" 1
228 1 18 MET H 1 18 MET QG 2.600 . 3.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
229 1 18 MET H 1 19 MET H 2.600 . 3.500 3.099 3.099 3.099 . 0 0 "[ ]" 1
230 1 18 MET HA 1 18 MET QB 2.600 . 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
231 1 18 MET HA 1 18 MET QG 2.900 . 4.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
232 1 18 MET QB 1 19 MET H 3.100 . 4.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
233 1 18 MET QB 1 22 PHE QD 4.200 . 6.500 3.638 3.638 3.638 . 0 0 "[ ]" 1
234 1 18 MET QB 1 22 PHE QE 4.200 . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
235 1 18 MET QB 1 44 ILE MD 3.600 . 5.500 3.520 3.520 3.520 . 0 0 "[ ]" 1
236 1 18 MET QB 1 53 LEU QD 4.400 . 6.900 2.718 2.718 2.718 . 0 0 "[ ]" 1
237 1 18 MET ME 1 44 ILE MD 4.400 . 7.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
238 1 18 MET ME 1 51 ALA MB 3.100 . 4.500 1.862 1.862 1.862 . 0 0 "[ ]" 1
239 1 18 MET QG 1 53 LEU QD 4.400 . 6.900 4.048 4.048 4.048 . 0 0 "[ ]" 1
240 1 19 MET H 1 19 MET HA 2.600 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
241 1 19 MET H 1 19 MET HB2 2.100 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
242 1 19 MET H 1 19 MET HB3 2.600 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
243 1 19 MET H 1 20 ASP H 3.400 . 5.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
244 1 19 MET HA 1 19 MET HB2 2.100 . 2.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
245 1 19 MET HA 1 19 MET HB3 2.600 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
246 1 19 MET HA 1 20 ASP H 2.600 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
247 1 19 MET HA 1 22 PHE HB2 3.400 . 5.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
248 1 19 MET HA 1 23 ASN H 3.400 . 5.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
249 1 19 MET HB2 1 20 ASP H 2.600 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
250 1 19 MET HB3 1 20 ASP H 2.100 . 2.500 1.960 1.960 1.960 . 0 0 "[ ]" 1
251 1 19 MET HB3 1 23 ASN HD21 3.400 . 5.000 4.878 4.878 4.878 . 0 0 "[ ]" 1
252 1 19 MET HB3 1 23 ASN HD22 3.400 . 5.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
253 1 19 MET HB3 1 39 VAL MG1 3.900 . 6.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
254 1 19 MET ME 1 41 ALA HA 2.600 . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
255 1 19 MET QG 1 23 ASN HD21 3.100 . 4.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
256 1 19 MET QG 1 23 ASN HD22 3.100 . 4.500 1.954 1.954 1.954 . 0 0 "[ ]" 1
257 1 19 MET QG 1 39 VAL MG1 3.600 . 5.500 2.059 2.059 2.059 . 0 0 "[ ]" 1
258 1 19 MET QG 1 39 VAL MG2 3.600 . 5.500 3.971 3.971 3.971 . 0 0 "[ ]" 1
259 1 20 ASP H 1 20 ASP HA 2.600 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
260 1 20 ASP H 1 20 ASP HB2 2.100 . 2.500 2.536 2.536 2.536 0.036 1 0 "[ ]" 1
261 1 20 ASP H 1 20 ASP HB3 2.100 . 2.500 2.527 2.527 2.527 0.027 1 0 "[ ]" 1
262 1 20 ASP H 1 21 PHE H 2.600 . 3.500 2.707 2.707 2.707 . 0 0 "[ ]" 1
263 1 20 ASP HA 1 20 ASP HB2 2.100 . 2.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
264 1 20 ASP HA 1 23 ASN H 2.600 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1
265 1 20 ASP HA 1 23 ASN HD21 3.400 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
266 1 20 ASP HA 1 23 ASN HD22 3.400 . 5.000 2.033 2.033 2.033 . 0 0 "[ ]" 1
267 1 20 ASP HA 1 24 ALA H 2.600 . 3.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
268 1 20 ASP HB3 1 21 PHE H 2.600 . 3.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
269 1 21 PHE H 1 21 PHE HA 2.600 . 3.500 2.930 2.930 2.930 . 0 0 "[ ]" 1
270 1 21 PHE H 1 21 PHE HB2 2.600 . 3.500 2.789 2.789 2.789 . 0 0 "[ ]" 1
271 1 21 PHE H 1 21 PHE HB3 2.100 . 2.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
272 1 21 PHE H 1 21 PHE QD 3.600 . 5.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
273 1 21 PHE H 1 22 PHE H 2.600 . 3.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
274 1 21 PHE HA 1 21 PHE HB2 2.100 . 2.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
275 1 21 PHE HA 1 21 PHE HB3 2.600 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
276 1 21 PHE HA 1 21 PHE QD 2.600 . 3.500 2.195 2.195 2.195 . 0 0 "[ ]" 1
277 1 21 PHE HA 1 25 GLN HE21 3.400 . 5.000 4.547 4.547 4.547 . 0 0 "[ ]" 1
278 1 21 PHE HB2 1 21 PHE QD 2.600 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
279 1 21 PHE HB2 1 22 PHE H 3.400 . 5.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
280 1 21 PHE HB2 1 72 PHE HZ 3.100 . 4.500 4.482 4.482 4.482 . 0 0 "[ ]" 1
281 1 21 PHE HB3 1 21 PHE QD 2.600 . 3.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
282 1 21 PHE HB3 1 22 PHE H 2.600 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
283 1 21 PHE HB3 1 22 PHE QD 4.400 . 7.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
284 1 21 PHE HB3 1 72 PHE HZ 3.900 . 6.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
285 1 21 PHE QD 1 22 PHE H 3.600 . 5.500 4.100 4.100 4.100 . 0 0 "[ ]" 1
286 1 21 PHE QD 1 22 PHE HA 3.600 . 5.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
287 1 21 PHE QD 1 22 PHE QD 4.700 . 7.500 2.533 2.533 2.533 . 0 0 "[ ]" 1
288 1 21 PHE QD 1 22 PHE QE 4.700 . 7.500 1.856 1.856 1.856 . 0 0 "[ ]" 1
289 1 21 PHE QD 1 25 GLN QG 4.200 . 6.500 4.005 4.005 4.005 . 0 0 "[ ]" 1
290 1 21 PHE QD 1 70 ILE MD 4.900 . 8.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
291 1 21 PHE QD 1 70 ILE QG 4.200 . 6.500 5.267 5.267 5.267 . 0 0 "[ ]" 1
292 1 21 PHE QD 1 70 ILE MG 4.200 . 6.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
293 1 21 PHE QD 1 77 LEU QD 4.900 . 7.900 3.413 3.413 3.413 . 0 0 "[ ]" 1
294 1 21 PHE QE 1 22 PHE QE 4.700 . 7.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
295 1 21 PHE QE 1 25 GLN QG 4.200 . 6.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
296 1 21 PHE QE 1 70 ILE HB 3.600 . 5.500 4.831 4.831 4.831 . 0 0 "[ ]" 1
297 1 21 PHE QE 1 70 ILE MD 3.600 . 5.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
298 1 21 PHE QE 1 70 ILE QG 3.600 . 5.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
299 1 21 PHE QE 1 70 ILE MG 3.600 . 5.500 2.357 2.357 2.357 . 0 0 "[ ]" 1
300 1 21 PHE QE 1 77 LEU QD 3.100 . 4.500 1.772 1.772 1.772 0.028 1 0 "[ ]" 1
301 1 21 PHE HZ 1 70 ILE MD 3.100 . 4.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
302 1 21 PHE HZ 1 70 ILE QG 3.600 . 5.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
303 1 21 PHE HZ 1 70 ILE MG 3.600 . 5.500 1.774 1.774 1.774 0.026 1 0 "[ ]" 1
304 1 22 PHE H 1 22 PHE HA 2.600 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
305 1 22 PHE H 1 22 PHE HB2 2.100 . 2.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
306 1 22 PHE H 1 22 PHE QD 3.600 . 5.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
307 1 22 PHE H 1 23 ASN H 2.100 . 2.500 2.404 2.404 2.404 . 0 0 "[ ]" 1
308 1 22 PHE H 1 39 VAL MG2 3.900 . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
309 1 22 PHE H 1 53 LEU QD 4.600 . 7.400 3.938 3.938 3.938 . 0 0 "[ ]" 1
310 1 22 PHE HA 1 22 PHE HB3 2.600 . 3.500 2.601 2.601 2.601 . 0 0 "[ ]" 1
311 1 22 PHE HA 1 22 PHE QD 2.600 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
312 1 22 PHE HA 1 23 ASN H 2.600 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1
313 1 22 PHE HA 1 25 GLN HB2 2.600 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
314 1 22 PHE HA 1 26 MET H 3.400 . 5.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
315 1 22 PHE HB2 1 22 PHE QD 2.600 . 3.500 2.645 2.645 2.645 . 0 0 "[ ]" 1
316 1 22 PHE HB2 1 23 ASN H 2.600 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
317 1 22 PHE HB2 1 39 VAL MG2 2.600 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
318 1 22 PHE HB2 1 53 LEU QD 3.900 . 6.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
319 1 22 PHE HB3 1 22 PHE QD 2.600 . 3.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
320 1 22 PHE HB3 1 39 VAL MG2 2.600 . 3.500 2.862 2.862 2.862 . 0 0 "[ ]" 1
321 1 22 PHE HB3 1 53 LEU QD 3.900 . 6.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
322 1 22 PHE QD 1 39 VAL MG2 4.200 . 6.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
323 1 22 PHE QD 1 53 LEU QD 4.900 . 7.900 2.078 2.078 2.078 . 0 0 "[ ]" 1
324 1 22 PHE QE 1 53 LEU QD 4.900 . 7.900 1.928 1.928 1.928 . 0 0 "[ ]" 1
325 1 22 PHE HZ 1 67 PHE HB2 3.900 . 6.000 5.085 5.085 5.085 . 0 0 "[ ]" 1
326 1 22 PHE HZ 1 67 PHE HB3 3.900 . 6.000 5.704 5.704 5.704 . 0 0 "[ ]" 1
327 1 22 PHE HZ 1 79 ILE MD 3.600 . 5.500 3.266 3.266 3.266 . 0 0 "[ ]" 1
328 1 22 PHE HZ 1 79 ILE QG 3.600 . 5.500 3.338 3.338 3.338 . 0 0 "[ ]" 1
329 1 23 ASN H 1 23 ASN HA 2.600 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
330 1 23 ASN H 1 23 ASN HB3 2.600 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
331 1 23 ASN H 1 23 ASN HD21 2.600 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
332 1 23 ASN H 1 24 ALA H 2.100 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 1
333 1 23 ASN HA 1 23 ASN HB2 2.600 . 3.500 2.563 2.563 2.563 . 0 0 "[ ]" 1
334 1 23 ASN HA 1 23 ASN HB3 2.100 . 2.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
335 1 23 ASN HA 1 24 ALA H 2.600 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
336 1 23 ASN HA 1 25 GLN H 2.600 . 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 1
337 1 23 ASN HA 1 26 MET H 2.600 . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
338 1 23 ASN HA 1 26 MET HB2 2.100 . 2.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
339 1 23 ASN HA 1 38 PRO QD 3.100 . 4.500 4.004 4.004 4.004 . 0 0 "[ ]" 1
340 1 23 ASN HA 1 38 PRO QG 2.600 . 3.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
341 1 23 ASN HA 1 39 VAL MG2 3.100 . 4.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
342 1 23 ASN HB2 1 24 ALA H 2.600 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
343 1 23 ASN HB3 1 23 ASN HD21 2.100 . 2.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
344 1 23 ASN HB3 1 23 ASN HD22 2.600 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
345 1 23 ASN HD21 1 39 VAL H 3.400 . 5.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
346 1 23 ASN HD21 1 39 VAL HB 2.600 . 3.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
347 1 23 ASN HD21 1 39 VAL MG1 3.100 . 4.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
348 1 23 ASN HD21 1 39 VAL MG2 3.900 . 6.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
349 1 23 ASN HD22 1 39 VAL H 3.400 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
350 1 23 ASN HD22 1 39 VAL HB 2.600 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
351 1 23 ASN HD22 1 39 VAL MG1 3.900 . 6.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
352 1 23 ASN HD22 1 39 VAL MG2 3.900 . 6.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
353 1 24 ALA H 1 24 ALA HA 2.600 . 3.500 2.791 2.791 2.791 . 0 0 "[ ]" 1
354 1 24 ALA H 1 24 ALA MB 2.500 . 3.100 2.270 2.270 2.270 . 0 0 "[ ]" 1
355 1 24 ALA H 1 25 GLN H 2.600 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
356 1 24 ALA HA 1 25 GLN H 2.600 . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
357 1 24 ALA HA 1 26 MET H 3.400 . 5.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
358 1 24 ALA HA 1 27 ARG H 2.600 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
359 1 24 ALA HA 1 27 ARG QB 2.600 . 3.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
360 1 24 ALA HA 1 27 ARG QG 3.100 . 4.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
361 1 24 ALA MB 1 25 GLN H 2.600 . 3.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
362 1 24 ALA MB 1 25 GLN HE21 3.100 . 4.500 2.655 2.655 2.655 . 0 0 "[ ]" 1
363 1 24 ALA MB 1 27 ARG H 3.900 . 6.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
364 1 25 GLN H 1 25 GLN HA 2.600 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
365 1 25 GLN H 1 25 GLN HB2 2.100 . 2.500 2.456 2.456 2.456 . 0 0 "[ ]" 1
366 1 25 GLN H 1 25 GLN HE21 3.400 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
367 1 25 GLN H 1 25 GLN QG 3.100 . 4.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
368 1 25 GLN H 1 26 MET H 2.100 . 2.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
369 1 25 GLN HA 1 25 GLN HB3 2.100 . 2.500 2.493 2.493 2.493 . 0 0 "[ ]" 1
370 1 25 GLN HA 1 25 GLN HE21 2.600 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
371 1 25 GLN HA 1 25 GLN QG 2.900 . 4.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
372 1 25 GLN HA 1 26 MET H 2.600 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
373 1 25 GLN HA 1 28 LEU H 2.600 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1
374 1 25 GLN HA 1 28 LEU HB2 3.400 . 5.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
375 1 25 GLN HB2 1 26 MET H 2.600 . 3.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
376 1 25 GLN HB2 1 67 PHE QE 4.400 . 7.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
377 1 25 GLN HB2 1 67 PHE HZ 3.100 . 4.500 3.721 3.721 3.721 . 0 0 "[ ]" 1
378 1 25 GLN HE21 1 25 GLN QG 3.100 . 4.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
379 1 25 GLN HE21 1 28 LEU QD 3.900 . 6.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
380 1 25 GLN HE22 1 28 LEU QD 3.900 . 6.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
381 1 25 GLN QG 1 26 MET H 3.900 . 6.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
382 1 26 MET H 1 26 MET HA 2.600 . 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 1
383 1 26 MET H 1 26 MET HB2 2.100 . 2.500 2.544 2.544 2.544 0.044 1 0 "[ ]" 1
384 1 26 MET H 1 26 MET QG 3.100 . 4.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
385 1 26 MET H 1 27 ARG H 2.600 . 3.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
386 1 26 MET H 1 67 PHE QE 4.400 . 7.000 4.811 4.811 4.811 . 0 0 "[ ]" 1
387 1 26 MET H 1 67 PHE HZ 3.100 . 4.500 4.518 4.518 4.518 0.018 1 0 "[ ]" 1
388 1 26 MET HA 1 26 MET HB3 2.100 . 2.500 2.445 2.445 2.445 . 0 0 "[ ]" 1
389 1 26 MET HA 1 26 MET QG 2.900 . 4.000 2.385 2.385 2.385 . 0 0 "[ ]" 1
390 1 26 MET HA 1 27 ARG H 2.600 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
391 1 26 MET HA 1 31 LEU QD 3.100 . 4.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
392 1 26 MET HA 1 67 PHE HZ 2.600 . 3.500 3.413 3.413 3.413 . 0 0 "[ ]" 1
393 1 26 MET HB2 1 26 MET QG 2.600 . 3.500 2.192 2.192 2.192 . 0 0 "[ ]" 1
394 1 26 MET HB2 1 27 ARG H 2.600 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
395 1 26 MET HB3 1 26 MET QG 2.600 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
396 1 26 MET HB3 1 31 LEU H 3.400 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
397 1 26 MET QG 1 27 ARG H 3.900 . 6.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
398 1 26 MET QG 1 39 VAL MG2 3.600 . 5.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
399 1 26 MET QG 1 67 PHE HZ 4.400 . 7.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
400 1 27 ARG H 1 27 ARG HA 2.600 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
401 1 27 ARG H 1 27 ARG QB 2.500 . 3.100 2.205 2.205 2.205 . 0 0 "[ ]" 1
402 1 27 ARG H 1 27 ARG QG 3.100 . 4.500 2.837 2.837 2.837 . 0 0 "[ ]" 1
403 1 27 ARG H 1 28 LEU H 2.100 . 2.500 2.452 2.452 2.452 . 0 0 "[ ]" 1
404 1 27 ARG HA 1 27 ARG QB 2.600 . 3.500 2.478 2.478 2.478 . 0 0 "[ ]" 1
405 1 27 ARG HA 1 27 ARG QD 3.100 . 4.500 1.979 1.979 1.979 . 0 0 "[ ]" 1
406 1 27 ARG HA 1 27 ARG QG 2.900 . 4.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
407 1 27 ARG HA 1 28 LEU H 2.600 . 3.500 3.411 3.411 3.411 . 0 0 "[ ]" 1
408 1 27 ARG QB 1 27 ARG QD 3.100 . 4.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
409 1 27 ARG QB 1 28 LEU H 3.100 . 4.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
410 1 27 ARG QD 1 32 THR HG1 3.100 . 4.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
411 1 28 LEU H 1 28 LEU HA 2.600 . 3.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
412 1 28 LEU H 1 28 LEU HB2 2.100 . 2.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
413 1 28 LEU H 1 28 LEU QD 3.000 . 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
414 1 28 LEU H 1 29 GLY H 2.600 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
415 1 28 LEU HA 1 28 LEU HB2 2.600 . 3.500 2.974 2.974 2.974 . 0 0 "[ ]" 1
416 1 28 LEU HA 1 28 LEU HB3 2.600 . 3.500 2.702 2.702 2.702 . 0 0 "[ ]" 1
417 1 28 LEU HA 1 28 LEU QD 3.100 . 4.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
418 1 28 LEU HB2 1 28 LEU QD 2.600 . 3.500 2.081 2.081 2.081 . 0 0 "[ ]" 1
419 1 28 LEU HB2 1 29 GLY H 2.100 . 2.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
420 1 28 LEU HB3 1 28 LEU QD 2.600 . 3.500 2.091 2.091 2.091 . 0 0 "[ ]" 1
421 1 28 LEU QD 1 29 GLY H 3.900 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
422 1 29 GLY H 1 29 GLY QA 2.600 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
423 1 29 GLY QA 1 30 GLY H 3.100 . 4.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
424 1 30 GLY H 1 30 GLY QA 2.600 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
425 1 30 GLY H 1 31 LEU H 2.600 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
426 1 30 GLY QA 1 31 LEU H 3.100 . 4.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
427 1 30 GLY QA 1 32 THR H 3.100 . 4.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
428 1 31 LEU H 1 31 LEU HA 2.600 . 3.500 2.930 2.930 2.930 . 0 0 "[ ]" 1
429 1 31 LEU H 1 31 LEU QB 2.900 . 4.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
430 1 31 LEU H 1 31 LEU HG 2.100 . 2.500 2.034 2.034 2.034 . 0 0 "[ ]" 1
431 1 31 LEU H 1 32 THR H 2.600 . 3.500 2.447 2.447 2.447 . 0 0 "[ ]" 1
432 1 31 LEU H 1 32 THR HG1 3.100 . 4.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
433 1 31 LEU HA 1 31 LEU QB 2.600 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
434 1 31 LEU HA 1 31 LEU QD 2.600 . 3.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
435 1 31 LEU HA 1 32 THR H 2.600 . 3.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
436 1 31 LEU HA 1 32 THR HG1 3.900 . 6.000 5.768 5.768 5.768 . 0 0 "[ ]" 1
437 1 31 LEU QB 1 32 THR H 3.100 . 4.500 3.208 3.208 3.208 . 0 0 "[ ]" 1
438 1 31 LEU QD 1 32 THR H 4.600 . 7.400 4.260 4.260 4.260 . 0 0 "[ ]" 1
439 1 31 LEU HG 1 32 THR H 3.400 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
440 1 32 THR H 1 32 THR HA 2.600 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
441 1 32 THR H 1 32 THR HB 3.400 . 5.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
442 1 32 THR H 1 32 THR HG1 2.600 . 3.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
443 1 32 THR HA 1 32 THR HB 2.100 . 2.500 2.520 2.520 2.520 0.020 1 0 "[ ]" 1
444 1 32 THR HA 1 32 THR HG1 2.900 . 4.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
445 1 32 THR HB 1 32 THR HG1 2.600 . 3.500 2.645 2.645 2.645 . 0 0 "[ ]" 1
446 1 32 THR HB 1 34 ALA H 2.600 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
447 1 32 THR HG1 1 34 ALA H 3.900 . 6.000 5.588 5.588 5.588 . 0 0 "[ ]" 1
448 1 32 THR HG1 1 37 ASN HA 3.100 . 4.500 4.414 4.414 4.414 . 0 0 "[ ]" 1
449 1 32 THR HG1 1 38 PRO QB 3.600 . 5.500 3.339 3.339 3.339 . 0 0 "[ ]" 1
450 1 32 THR HG1 1 38 PRO QD 3.600 . 5.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
451 1 32 THR HG1 1 38 PRO QG 3.100 . 4.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
452 1 33 GLN H 1 33 GLN QB 2.900 . 4.000 2.523 2.523 2.523 . 0 0 "[ ]" 1
453 1 33 GLN HA 1 33 GLN QB 2.600 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
454 1 33 GLN HA 1 34 ALA H 2.100 . 2.500 2.540 2.540 2.540 0.040 1 0 "[ ]" 1
455 1 34 ALA H 1 34 ALA HA 2.600 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
456 1 34 ALA H 1 34 ALA MB 2.900 . 4.000 2.494 2.494 2.494 . 0 0 "[ ]" 1
457 1 34 ALA HA 1 35 PRO QD 3.100 . 4.500 2.129 2.129 2.129 . 0 0 "[ ]" 1
458 1 34 ALA MB 1 35 PRO QD 3.100 . 4.500 1.758 1.758 1.758 0.042 1 0 "[ ]" 1
459 1 36 GLY QA 1 37 ASN H 3.100 . 4.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
460 1 37 ASN H 1 37 ASN QB 2.900 . 4.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
461 1 37 ASN H 1 38 PRO QD 3.900 . 6.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
462 1 37 ASN HA 1 38 PRO QD 2.600 . 3.500 2.051 2.051 2.051 . 0 0 "[ ]" 1
463 1 37 ASN QB 1 37 ASN HD21 3.100 . 4.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
464 1 37 ASN QB 1 37 ASN HD22 3.100 . 4.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
465 1 37 ASN QB 1 38 PRO QD 3.600 . 5.500 1.858 1.858 1.858 . 0 0 "[ ]" 1
466 1 37 ASN QB 1 39 VAL H 3.100 . 4.500 3.593 3.593 3.593 . 0 0 "[ ]" 1
467 1 38 PRO HA 1 39 VAL H 3.400 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
468 1 38 PRO QD 1 39 VAL H 3.100 . 4.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
469 1 38 PRO QG 1 39 VAL H 3.100 . 4.500 1.982 1.982 1.982 . 0 0 "[ ]" 1
470 1 39 VAL H 1 39 VAL HA 2.600 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
471 1 39 VAL H 1 39 VAL HB 2.100 . 2.500 2.501 2.501 2.501 0.001 1 0 "[ ]" 1
472 1 39 VAL H 1 39 VAL MG1 3.100 . 4.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
473 1 39 VAL H 1 39 VAL MG2 2.600 . 3.500 2.389 2.389 2.389 . 0 0 "[ ]" 1
474 1 39 VAL HA 1 39 VAL HB 2.600 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
475 1 39 VAL HA 1 39 VAL MG1 2.500 . 3.100 2.411 2.411 2.411 . 0 0 "[ ]" 1
476 1 39 VAL HA 1 39 VAL MG2 2.500 . 3.100 2.169 2.169 2.169 . 0 0 "[ ]" 1
477 1 39 VAL HA 1 40 LEU H 2.100 . 2.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
478 1 39 VAL HA 1 55 PHE HA 2.100 . 2.500 2.019 2.019 2.019 . 0 0 "[ ]" 1
479 1 39 VAL HA 1 55 PHE QD 3.600 . 5.500 1.860 1.860 1.860 . 0 0 "[ ]" 1
480 1 39 VAL HA 1 55 PHE QE 3.600 . 5.500 3.845 3.845 3.845 . 0 0 "[ ]" 1
481 1 39 VAL HA 1 56 ARG H 2.600 . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
482 1 39 VAL QG 1 53 LEU HA 3.100 . 4.500 3.150 3.150 3.150 . 0 0 "[ ]" 1
483 1 39 VAL MG1 1 40 LEU H 3.100 . 4.500 1.827 1.827 1.827 . 0 0 "[ ]" 1
484 1 39 VAL MG1 1 40 LEU HA 3.100 . 4.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
485 1 39 VAL MG1 1 41 ALA H 2.600 . 3.500 2.629 2.629 2.629 . 0 0 "[ ]" 1
486 1 39 VAL MG1 1 42 VAL H 3.900 . 6.000 3.714 3.714 3.714 . 0 0 "[ ]" 1
487 1 39 VAL MG1 1 53 LEU HB2 3.900 . 6.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
488 1 39 VAL MG1 1 53 LEU QD 3.900 . 6.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
489 1 39 VAL MG1 1 54 GLU H 3.100 . 4.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
490 1 39 VAL MG1 1 54 GLU HB3 3.900 . 6.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
491 1 39 VAL MG1 1 55 PHE HA 3.100 . 4.500 3.443 3.443 3.443 . 0 0 "[ ]" 1
492 1 39 VAL MG1 1 55 PHE HZ 4.400 . 7.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
493 1 39 VAL MG2 1 40 LEU H 3.100 . 4.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
494 1 39 VAL MG2 1 42 VAL QG 4.400 . 7.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
495 1 39 VAL MG2 1 53 LEU HB2 3.100 . 4.500 3.597 3.597 3.597 . 0 0 "[ ]" 1
496 1 39 VAL MG2 1 55 PHE HA 3.100 . 4.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
497 1 39 VAL MG2 1 55 PHE QD 4.200 . 6.500 2.062 2.062 2.062 . 0 0 "[ ]" 1
498 1 39 VAL MG2 1 55 PHE QE 3.600 . 5.500 1.810 1.810 1.810 . 0 0 "[ ]" 1
499 1 39 VAL MG2 1 55 PHE HZ 3.600 . 5.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
500 1 39 VAL MG2 1 58 VAL HB 3.100 . 4.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
501 1 39 VAL MG2 1 58 VAL QG 4.300 . 6.900 2.793 2.793 2.793 . 0 0 "[ ]" 1
502 1 40 LEU H 1 40 LEU HA 2.600 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
503 1 40 LEU H 1 40 LEU QB 2.500 . 3.100 2.557 2.557 2.557 . 0 0 "[ ]" 1
504 1 40 LEU H 1 40 LEU QD 3.500 . 5.200 3.886 3.886 3.886 . 0 0 "[ ]" 1
505 1 40 LEU H 1 41 ALA H 2.100 . 2.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
506 1 40 LEU H 1 55 PHE HA 2.600 . 3.500 2.562 2.562 2.562 . 0 0 "[ ]" 1
507 1 40 LEU HA 1 40 LEU QB 2.600 . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
508 1 40 LEU QB 1 41 ALA H 2.600 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
509 1 40 LEU QB 1 55 PHE HA 3.100 . 4.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
510 1 40 LEU QB 1 56 ARG H 3.100 . 4.500 2.538 2.538 2.538 . 0 0 "[ ]" 1
511 1 40 LEU QB 1 56 ARG HA 3.100 . 4.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
512 1 40 LEU QD 1 41 ALA H 3.900 . 6.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
513 1 40 LEU QD 1 55 PHE HA 4.700 . 7.500 4.764 4.764 4.764 . 0 0 "[ ]" 1
514 1 40 LEU QD 1 56 ARG H 3.900 . 6.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
515 1 41 ALA H 1 41 ALA HA 2.600 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
516 1 41 ALA H 1 41 ALA MB 2.500 . 3.100 2.502 2.502 2.502 . 0 0 "[ ]" 1
517 1 41 ALA H 1 42 VAL H 3.400 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
518 1 41 ALA H 1 54 GLU H 2.600 . 3.500 3.094 3.094 3.094 . 0 0 "[ ]" 1
519 1 41 ALA H 1 54 GLU HB2 2.600 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
520 1 41 ALA H 1 54 GLU HB3 2.600 . 3.500 1.895 1.895 1.895 . 0 0 "[ ]" 1
521 1 41 ALA H 1 54 GLU O 2.000 . 2.200 2.077 2.077 2.077 . 0 0 "[ ]" 1
522 1 41 ALA H 1 55 PHE HA 3.400 . 5.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
523 1 41 ALA HA 1 42 VAL H 2.100 . 2.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
524 1 41 ALA MB 1 42 VAL H 3.100 . 4.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
525 1 41 ALA MB 1 54 GLU H 3.100 . 4.500 3.609 3.609 3.609 . 0 0 "[ ]" 1
526 1 41 ALA MB 1 54 GLU HB3 2.600 . 3.500 2.047 2.047 2.047 . 0 0 "[ ]" 1
527 1 41 ALA MB 1 54 GLU QG 3.100 . 4.500 3.171 3.171 3.171 . 0 0 "[ ]" 1
528 1 41 ALA N 1 54 GLU O 2.500 . 3.300 3.028 3.028 3.028 . 0 0 "[ ]" 1
529 1 41 ALA O 1 54 GLU H 2.000 . 2.200 1.741 1.741 1.741 0.059 1 0 "[ ]" 1
530 1 41 ALA O 1 54 GLU N 2.500 . 3.300 2.523 2.523 2.523 . 0 0 "[ ]" 1
531 1 42 VAL H 1 42 VAL HB 2.600 . 3.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
532 1 42 VAL H 1 42 VAL QG 3.000 . 4.200 2.647 2.647 2.647 . 0 0 "[ ]" 1
533 1 42 VAL HA 1 42 VAL HB 2.600 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
534 1 42 VAL HA 1 42 VAL QG 3.100 . 4.500 2.143 2.143 2.143 . 0 0 "[ ]" 1
535 1 42 VAL HA 1 53 LEU HA 2.600 . 3.500 2.158 2.158 2.158 . 0 0 "[ ]" 1
536 1 42 VAL QG 1 53 LEU QD 4.600 . 7.400 1.611 1.611 1.611 0.189 1 0 "[ ]" 1
537 1 42 VAL QG 1 55 PHE H 4.700 . 7.500 5.263 5.263 5.263 . 0 0 "[ ]" 1
538 1 42 VAL QG 1 55 PHE HZ 3.900 . 6.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
539 1 43 GLN H 1 43 GLN QB 2.500 . 3.100 2.163 2.163 2.163 . 0 0 "[ ]" 1
540 1 43 GLN H 1 43 GLN QG 3.100 . 4.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
541 1 43 GLN H 1 52 PHE QB 3.100 . 4.500 3.871 3.871 3.871 . 0 0 "[ ]" 1
542 1 43 GLN H 1 53 LEU HA 3.600 . 5.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
543 1 43 GLN HA 1 43 GLN QB 2.600 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
544 1 43 GLN HA 1 43 GLN QG 2.900 . 4.000 2.224 2.224 2.224 . 0 0 "[ ]" 1
545 1 43 GLN HA 1 44 ILE H 2.600 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
546 1 43 GLN QB 1 44 ILE H 3.100 . 4.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
547 1 43 GLN QB 1 52 PHE H 3.400 . 5.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
548 1 43 GLN QB 1 52 PHE QD 4.900 . 8.000 5.146 5.146 5.146 . 0 0 "[ ]" 1
549 1 43 GLN QG 1 44 ILE H 3.100 . 4.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
550 1 43 GLN O 1 52 PHE H 2.000 . 2.200 2.131 2.131 2.131 . 0 0 "[ ]" 1
551 1 43 GLN O 1 52 PHE N 2.500 . 3.300 3.073 3.073 3.073 . 0 0 "[ ]" 1
552 1 44 ILE H 1 44 ILE HA 2.600 . 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 1
553 1 44 ILE H 1 44 ILE HB 2.600 . 3.500 2.581 2.581 2.581 . 0 0 "[ ]" 1
554 1 44 ILE H 1 44 ILE MD 3.100 . 4.500 1.856 1.856 1.856 . 0 0 "[ ]" 1
555 1 44 ILE HA 1 44 ILE MG 2.500 . 3.100 2.291 2.291 2.291 . 0 0 "[ ]" 1
556 1 44 ILE HA 1 45 ASN H 2.100 . 2.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
557 1 44 ILE HA 1 51 ALA HA 2.100 . 2.500 2.084 2.084 2.084 . 0 0 "[ ]" 1
558 1 44 ILE HA 1 51 ALA MB 2.600 . 3.500 2.545 2.545 2.545 . 0 0 "[ ]" 1
559 1 44 ILE HA 1 52 PHE H 2.600 . 3.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
560 1 44 ILE MD 1 51 ALA HA 3.900 . 6.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
561 1 44 ILE MG 1 45 ASN H 2.600 . 3.500 1.761 1.761 1.761 0.039 1 0 "[ ]" 1
562 1 44 ILE MG 1 51 ALA HA 3.100 . 4.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
563 1 45 ASN H 1 50 PHE H 3.400 . 5.000 3.043 3.043 3.043 . 0 0 "[ ]" 1
564 1 45 ASN H 1 51 ALA HA 2.600 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
565 1 45 ASN QB 1 50 PHE H 3.100 . 4.500 2.789 2.789 2.789 . 0 0 "[ ]" 1
566 1 45 ASN QB 1 50 PHE QD 4.100 . 6.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
567 1 45 ASN QB 1 50 PHE QE 4.100 . 6.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
568 1 45 ASN O 1 50 PHE H 2.000 . 2.200 2.216 2.216 2.216 0.016 1 0 "[ ]" 1
569 1 45 ASN O 1 50 PHE N 2.500 . 3.300 3.157 3.157 3.157 . 0 0 "[ ]" 1
570 1 50 PHE H 1 50 PHE HA 2.600 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
571 1 50 PHE H 1 50 PHE QB 2.900 . 4.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
572 1 50 PHE H 1 50 PHE QD 3.600 . 5.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
573 1 50 PHE H 1 51 ALA H 3.400 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
574 1 50 PHE HA 1 50 PHE QB 2.600 . 3.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
575 1 50 PHE HA 1 50 PHE QD 3.100 . 4.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
576 1 50 PHE HA 1 51 ALA H 2.100 . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 1
577 1 50 PHE HA 1 51 ALA MB 3.900 . 6.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
578 1 50 PHE QB 1 51 ALA H 3.100 . 4.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
579 1 50 PHE QD 1 51 ALA H 3.600 . 5.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
580 1 50 PHE QD 1 51 ALA HA 3.600 . 5.500 4.204 4.204 4.204 . 0 0 "[ ]" 1
581 1 51 ALA H 1 51 ALA HA 2.600 . 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
582 1 51 ALA H 1 51 ALA MB 2.500 . 3.100 2.525 2.525 2.525 . 0 0 "[ ]" 1
583 1 51 ALA HA 1 52 PHE H 2.100 . 2.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
584 1 51 ALA HA 1 52 PHE QB 3.900 . 6.000 4.058 4.058 4.058 . 0 0 "[ ]" 1
585 1 51 ALA HA 1 52 PHE QD 4.400 . 7.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
586 1 51 ALA MB 1 52 PHE H 2.600 . 3.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
587 1 51 ALA MB 1 52 PHE HA 3.900 . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
588 1 52 PHE H 1 52 PHE HA 2.600 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
589 1 52 PHE H 1 52 PHE QB 2.500 . 3.100 2.525 2.525 2.525 . 0 0 "[ ]" 1
590 1 52 PHE H 1 52 PHE QD 3.100 . 4.500 3.658 3.658 3.658 . 0 0 "[ ]" 1
591 1 52 PHE HA 1 52 PHE QB 2.600 . 3.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
592 1 52 PHE HA 1 52 PHE QD 2.600 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
593 1 52 PHE HA 1 52 PHE QE 3.700 . 5.600 4.364 4.364 4.364 . 0 0 "[ ]" 1
594 1 52 PHE HA 1 53 LEU H 2.100 . 2.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
595 1 52 PHE QB 1 53 LEU H 2.600 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
596 1 52 PHE QD 1 53 LEU H 3.600 . 5.500 3.068 3.068 3.068 . 0 0 "[ ]" 1
597 1 52 PHE HZ 1 82 PRO QB 3.600 . 5.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
598 1 53 LEU H 1 53 LEU HA 2.600 . 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
599 1 53 LEU H 1 53 LEU HB2 2.600 . 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 1
600 1 53 LEU H 1 53 LEU HB3 3.400 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
601 1 53 LEU H 1 53 LEU QD 3.500 . 5.200 2.826 2.826 2.826 . 0 0 "[ ]" 1
602 1 53 LEU H 1 53 LEU HG 2.600 . 3.500 2.502 2.502 2.502 . 0 0 "[ ]" 1
603 1 53 LEU H 1 55 PHE QE 4.400 . 7.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
604 1 53 LEU HA 1 53 LEU HB3 2.600 . 3.500 2.330 2.330 2.330 . 0 0 "[ ]" 1
605 1 53 LEU HA 1 53 LEU QD 3.100 . 4.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
606 1 53 LEU HA 1 53 LEU HG 3.100 . 4.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
607 1 53 LEU HA 1 54 GLU H 3.400 . 5.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
608 1 53 LEU HB2 1 53 LEU QD 3.100 . 4.500 2.095 2.095 2.095 . 0 0 "[ ]" 1
609 1 53 LEU HB2 1 55 PHE QD 3.100 . 4.500 4.142 4.142 4.142 . 0 0 "[ ]" 1
610 1 53 LEU HB2 1 55 PHE QE 3.100 . 4.500 2.144 2.144 2.144 . 0 0 "[ ]" 1
611 1 53 LEU HB3 1 53 LEU QD 2.600 . 3.500 1.856 1.856 1.856 . 0 0 "[ ]" 1
612 1 53 LEU HB3 1 54 GLU H 3.400 . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
613 1 53 LEU HB3 1 55 PHE QD 3.600 . 5.500 3.945 3.945 3.945 . 0 0 "[ ]" 1
614 1 53 LEU HB3 1 55 PHE QE 3.100 . 4.500 1.781 1.781 1.781 0.019 1 0 "[ ]" 1
615 1 53 LEU QD 1 54 GLU H 3.900 . 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
616 1 53 LEU QD 1 55 PHE QD 5.600 . 9.400 4.538 4.538 4.538 . 0 0 "[ ]" 1
617 1 53 LEU QD 1 55 PHE QE 4.900 . 7.900 2.915 2.915 2.915 . 0 0 "[ ]" 1
618 1 53 LEU QD 1 55 PHE HZ 4.400 . 6.900 2.418 2.418 2.418 . 0 0 "[ ]" 1
619 1 54 GLU H 1 54 GLU HA 2.600 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
620 1 54 GLU H 1 54 GLU HB2 2.100 . 2.500 2.564 2.564 2.564 0.064 1 0 "[ ]" 1
621 1 54 GLU H 1 54 GLU HB3 2.600 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
622 1 54 GLU H 1 54 GLU QG 3.900 . 6.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
623 1 54 GLU H 1 55 PHE H 3.400 . 5.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
624 1 54 GLU HA 1 54 GLU HB2 2.100 . 2.500 2.564 2.564 2.564 0.064 1 0 "[ ]" 1
625 1 54 GLU HA 1 54 GLU HB3 2.600 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
626 1 54 GLU HA 1 54 GLU QG 2.900 . 4.000 2.224 2.224 2.224 . 0 0 "[ ]" 1
627 1 54 GLU HA 1 55 PHE H 2.100 . 2.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
628 1 54 GLU HA 1 55 PHE QD 3.600 . 5.500 4.043 4.043 4.043 . 0 0 "[ ]" 1
629 1 54 GLU HB2 1 55 PHE H 3.400 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
630 1 54 GLU QG 1 55 PHE H 3.900 . 6.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
631 1 55 PHE H 1 55 PHE HB2 2.600 . 3.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
632 1 55 PHE H 1 55 PHE HB3 3.400 . 5.000 3.758 3.758 3.758 . 0 0 "[ ]" 1
633 1 55 PHE H 1 55 PHE QD 3.100 . 4.500 3.112 3.112 3.112 . 0 0 "[ ]" 1
634 1 55 PHE HA 1 55 PHE HB2 2.600 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
635 1 55 PHE HA 1 55 PHE HB3 2.100 . 2.500 2.340 2.340 2.340 . 0 0 "[ ]" 1
636 1 55 PHE HA 1 55 PHE QD 2.600 . 3.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
637 1 55 PHE HA 1 56 ARG H 2.100 . 2.500 2.173 2.173 2.173 . 0 0 "[ ]" 1
638 1 55 PHE HA 1 57 SER H 3.400 . 5.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
639 1 55 PHE HB2 1 55 PHE QD 3.100 . 4.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
640 1 55 PHE HB2 1 57 SER H 2.600 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
641 1 55 PHE HB3 1 55 PHE QD 2.600 . 3.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
642 1 55 PHE HB3 1 56 ARG H 2.600 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
643 1 55 PHE HB3 1 57 SER H 2.600 . 3.500 2.978 2.978 2.978 . 0 0 "[ ]" 1
644 1 55 PHE QD 1 56 ARG H 3.600 . 5.500 4.204 4.204 4.204 . 0 0 "[ ]" 1
645 1 55 PHE QD 1 60 GLU HB2 4.400 . 7.000 6.045 6.045 6.045 . 0 0 "[ ]" 1
646 1 55 PHE QD 1 61 THR HA 3.100 . 4.500 2.782 2.782 2.782 . 0 0 "[ ]" 1
647 1 55 PHE QD 1 61 THR HG1 4.200 . 6.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
648 1 55 PHE QE 1 61 THR HA 3.600 . 5.500 2.012 2.012 2.012 . 0 0 "[ ]" 1
649 1 55 PHE QE 1 61 THR HG1 4.200 . 6.500 3.169 3.169 3.169 . 0 0 "[ ]" 1
650 1 55 PHE HZ 1 61 THR HA 3.100 . 4.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
651 1 55 PHE HZ 1 64 ALA HA 3.900 . 6.000 5.850 5.850 5.850 . 0 0 "[ ]" 1
652 1 55 PHE HZ 1 64 ALA MB 3.100 . 4.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
653 1 56 ARG H 1 56 ARG HA 2.600 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
654 1 56 ARG H 1 57 SER H 2.600 . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
655 1 57 SER H 1 57 SER QB 3.700 . 5.600 2.857 2.857 2.857 . 0 0 "[ ]" 1
656 1 57 SER HA 1 57 SER QB 2.600 . 3.500 2.491 2.491 2.491 . 0 0 "[ ]" 1
657 1 58 VAL HA 1 58 VAL HB 2.600 . 3.500 2.720 2.720 2.720 . 0 0 "[ ]" 1
658 1 58 VAL HA 1 58 VAL QG 2.500 . 3.100 1.999 1.999 1.999 . 0 0 "[ ]" 1
659 1 59 ASP HA 1 60 GLU H 2.600 . 3.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
660 1 60 GLU H 1 60 GLU HA 2.600 . 3.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
661 1 60 GLU H 1 60 GLU HB2 2.600 . 3.500 2.833 2.833 2.833 . 0 0 "[ ]" 1
662 1 60 GLU H 1 60 GLU HB3 2.600 . 3.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
663 1 60 GLU H 1 61 THR H 2.600 . 3.500 1.981 1.981 1.981 . 0 0 "[ ]" 1
664 1 60 GLU HA 1 60 GLU HB2 2.600 . 3.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
665 1 60 GLU HA 1 60 GLU HB3 2.600 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
666 1 60 GLU HA 1 61 THR H 2.600 . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
667 1 60 GLU HA 1 62 THR H 2.600 . 3.500 3.232 3.232 3.232 . 0 0 "[ ]" 1
668 1 60 GLU HA 1 63 GLN H 3.400 . 5.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
669 1 60 GLU HA 1 63 GLN QG 3.100 . 4.500 3.076 3.076 3.076 . 0 0 "[ ]" 1
670 1 61 THR H 1 61 THR HA 2.600 . 3.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
671 1 61 THR H 1 61 THR HB 2.600 . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
672 1 61 THR H 1 61 THR HG1 3.100 . 4.500 4.276 4.276 4.276 . 0 0 "[ ]" 1
673 1 61 THR HA 1 61 THR HG1 2.500 . 3.100 2.379 2.379 2.379 . 0 0 "[ ]" 1
674 1 61 THR HA 1 62 THR H 2.600 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
675 1 61 THR HA 1 64 ALA H 3.400 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
676 1 61 THR HA 1 64 ALA MB 3.400 . 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
677 1 61 THR HB 1 61 THR HG1 2.600 . 3.500 2.398 2.398 2.398 . 0 0 "[ ]" 1
678 1 61 THR HG1 1 62 THR H 3.100 . 4.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
679 1 62 THR H 1 62 THR HA 2.600 . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
680 1 62 THR H 1 62 THR HB 2.100 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 1
681 1 62 THR H 1 62 THR HG1 3.100 . 4.500 4.357 4.357 4.357 . 0 0 "[ ]" 1
682 1 62 THR H 1 63 GLN H 2.600 . 3.500 2.434 2.434 2.434 . 0 0 "[ ]" 1
683 1 62 THR H 1 63 GLN QG 3.900 . 6.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
684 1 62 THR HA 1 62 THR HB 2.600 . 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
685 1 62 THR HA 1 62 THR HG1 2.500 . 3.100 2.668 2.668 2.668 . 0 0 "[ ]" 1
686 1 62 THR HA 1 63 GLN H 2.600 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
687 1 62 THR HB 1 62 THR HG1 2.600 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
688 1 62 THR HB 1 63 GLN H 3.400 . 5.000 3.677 3.677 3.677 . 0 0 "[ ]" 1
689 1 62 THR HG1 1 63 GLN H 3.100 . 4.500 3.958 3.958 3.958 . 0 0 "[ ]" 1
690 1 62 THR HG1 1 63 GLN HA 3.100 . 4.500 4.144 4.144 4.144 . 0 0 "[ ]" 1
691 1 63 GLN H 1 63 GLN HA 2.600 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
692 1 63 GLN H 1 63 GLN HB2 2.600 . 3.500 2.768 2.768 2.768 . 0 0 "[ ]" 1
693 1 63 GLN H 1 63 GLN QG 2.600 . 3.500 1.848 1.848 1.848 . 0 0 "[ ]" 1
694 1 63 GLN H 1 64 ALA H 2.100 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
695 1 63 GLN H 1 65 MET H 3.400 . 5.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
696 1 63 GLN HA 1 63 GLN QG 2.500 . 3.100 2.613 2.613 2.613 . 0 0 "[ ]" 1
697 1 63 GLN HA 1 64 ALA H 2.600 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
698 1 63 GLN HA 1 65 MET H 2.600 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
699 1 63 GLN HA 1 66 ALA H 2.600 . 3.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
700 1 63 GLN HA 1 66 ALA MB 3.100 . 4.500 3.588 3.588 3.588 . 0 0 "[ ]" 1
701 1 63 GLN HB2 1 64 ALA H 3.400 . 5.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
702 1 63 GLN HE21 1 63 GLN QG 3.100 . 4.500 2.227 2.227 2.227 . 0 0 "[ ]" 1
703 1 63 GLN HE22 1 63 GLN QG 3.100 . 4.500 3.304 3.304 3.304 . 0 0 "[ ]" 1
704 1 63 GLN QG 1 64 ALA H 3.100 . 4.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
705 1 64 ALA H 1 64 ALA HA 2.600 . 3.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
706 1 64 ALA H 1 64 ALA MB 2.500 . 3.100 2.135 2.135 2.135 . 0 0 "[ ]" 1
707 1 64 ALA HA 1 66 ALA H 3.400 . 5.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
708 1 64 ALA HA 1 66 ALA MB 3.900 . 6.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
709 1 64 ALA HA 1 67 PHE H 2.600 . 3.500 3.580 3.580 3.580 0.080 1 0 "[ ]" 1
710 1 64 ALA HA 1 67 PHE QD 4.400 . 7.000 2.689 2.689 2.689 . 0 0 "[ ]" 1
711 1 64 ALA HA 1 67 PHE QE 3.600 . 5.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
712 1 64 ALA MB 1 67 PHE QE 4.200 . 6.500 3.241 3.241 3.241 . 0 0 "[ ]" 1
713 1 65 MET H 1 65 MET HA 2.600 . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
714 1 65 MET H 1 65 MET QB 2.600 . 3.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
715 1 65 MET H 1 65 MET QG 2.600 . 3.500 2.045 2.045 2.045 . 0 0 "[ ]" 1
716 1 65 MET H 1 66 ALA H 2.600 . 3.500 2.615 2.615 2.615 . 0 0 "[ ]" 1
717 1 65 MET HA 1 65 MET HB3 2.600 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
718 1 65 MET HA 1 65 MET QG 2.900 . 4.000 2.434 2.434 2.434 . 0 0 "[ ]" 1
719 1 65 MET HA 1 66 ALA H 2.600 . 3.500 3.432 3.432 3.432 . 0 0 "[ ]" 1
720 1 65 MET HA 1 67 PHE H 3.400 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
721 1 65 MET HA 1 68 ASP H 2.600 . 3.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
722 1 65 MET HA 1 68 ASP HA 3.400 . 5.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
723 1 65 MET HA 1 79 ILE MD 3.900 . 6.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
724 1 65 MET HA 1 79 ILE MG 2.600 . 3.500 2.072 2.072 2.072 . 0 0 "[ ]" 1
725 1 65 MET QB 1 66 ALA H 3.900 . 6.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
726 1 65 MET HB3 1 65 MET QG 2.600 . 3.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
727 1 66 ALA H 1 66 ALA HA 2.600 . 3.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
728 1 66 ALA H 1 66 ALA MB 2.500 . 3.100 2.216 2.216 2.216 . 0 0 "[ ]" 1
729 1 66 ALA H 1 67 PHE H 2.600 . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
730 1 66 ALA HA 1 68 ASP H 2.600 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
731 1 66 ALA MB 1 67 PHE H 3.100 . 4.500 2.733 2.733 2.733 . 0 0 "[ ]" 1
732 1 66 ALA MB 1 67 PHE QD 4.200 . 6.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
733 1 66 ALA MB 1 68 ASP H 3.900 . 6.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
734 1 67 PHE H 1 67 PHE HA 2.600 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
735 1 67 PHE H 1 67 PHE HB2 2.600 . 3.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
736 1 67 PHE H 1 67 PHE HB3 3.400 . 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
737 1 67 PHE H 1 67 PHE QD 3.600 . 5.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
738 1 67 PHE H 1 68 ASP H 2.100 . 2.500 2.560 2.560 2.560 0.060 1 0 "[ ]" 1
739 1 67 PHE H 1 79 ILE MD 3.100 . 4.500 3.613 3.613 3.613 . 0 0 "[ ]" 1
740 1 67 PHE HA 1 67 PHE HB3 2.600 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
741 1 67 PHE HA 1 67 PHE QD 3.100 . 4.500 2.427 2.427 2.427 . 0 0 "[ ]" 1
742 1 67 PHE HA 1 68 ASP H 2.600 . 3.500 3.256 3.256 3.256 . 0 0 "[ ]" 1
743 1 67 PHE HB2 1 67 PHE QD 2.600 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
744 1 67 PHE HB2 1 68 ASP H 3.400 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
745 1 67 PHE HB2 1 70 ILE MD 3.100 . 4.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
746 1 67 PHE HB2 1 70 ILE MG 3.100 . 4.500 3.564 3.564 3.564 . 0 0 "[ ]" 1
747 1 67 PHE HB2 1 79 ILE MD 2.600 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
748 1 67 PHE HB3 1 67 PHE QD 3.100 . 4.500 2.613 2.613 2.613 . 0 0 "[ ]" 1
749 1 67 PHE HB3 1 70 ILE H 3.400 . 5.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
750 1 67 PHE HB3 1 70 ILE MG 2.600 . 3.500 2.728 2.728 2.728 . 0 0 "[ ]" 1
751 1 67 PHE QD 1 70 ILE HB 4.400 . 7.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
752 1 67 PHE QD 1 70 ILE MD 4.200 . 6.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
753 1 67 PHE QE 1 70 ILE MD 4.200 . 6.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
754 1 68 ASP H 1 68 ASP HA 2.600 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
755 1 68 ASP H 1 68 ASP HB2 2.100 . 2.500 2.566 2.566 2.566 0.066 1 0 "[ ]" 1
756 1 68 ASP H 1 68 ASP HB3 2.100 . 2.500 2.547 2.547 2.547 0.047 1 0 "[ ]" 1
757 1 68 ASP H 1 69 GLY H 3.400 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
758 1 68 ASP H 1 79 ILE H 3.400 . 5.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
759 1 68 ASP H 1 79 ILE HB 3.400 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
760 1 68 ASP H 1 79 ILE MD 3.100 . 4.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
761 1 68 ASP HA 1 68 ASP HB2 2.600 . 3.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
762 1 68 ASP HA 1 68 ASP HB3 2.600 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
763 1 68 ASP HA 1 69 GLY H 2.100 . 2.500 2.220 2.220 2.220 . 0 0 "[ ]" 1
764 1 68 ASP HA 1 78 LYS HA 3.400 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
765 1 68 ASP HA 1 79 ILE H 2.100 . 2.500 2.283 2.283 2.283 . 0 0 "[ ]" 1
766 1 68 ASP HA 1 79 ILE HB 2.100 . 2.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
767 1 68 ASP HA 1 79 ILE QG 3.100 . 4.500 1.836 1.836 1.836 . 0 0 "[ ]" 1
768 1 68 ASP HA 1 79 ILE MG 3.100 . 4.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
769 1 68 ASP QB 1 69 GLY H 3.100 . 4.500 3.982 3.982 3.982 . 0 0 "[ ]" 1
770 1 68 ASP HB2 1 79 ILE H 2.600 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
771 1 69 GLY H 1 69 GLY HA2 2.100 . 2.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
772 1 69 GLY H 1 70 ILE H 3.400 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
773 1 69 GLY H 1 70 ILE MG 3.100 . 4.500 3.322 3.322 3.322 . 0 0 "[ ]" 1
774 1 69 GLY H 1 78 LYS HA 2.600 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
775 1 69 GLY H 1 79 ILE HB 3.400 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
776 1 69 GLY H 1 79 ILE QG 3.100 . 4.500 2.639 2.639 2.639 . 0 0 "[ ]" 1
777 1 69 GLY HA2 1 70 ILE H 2.600 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
778 1 69 GLY HA3 1 70 ILE H 2.600 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
779 1 69 GLY HA3 1 77 LEU QD 3.900 . 6.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
780 1 70 ILE H 1 70 ILE HA 2.100 . 2.500 2.362 2.362 2.362 . 0 0 "[ ]" 1
781 1 70 ILE H 1 70 ILE HB 2.600 . 3.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
782 1 70 ILE H 1 70 ILE MG 3.100 . 4.500 3.335 3.335 3.335 . 0 0 "[ ]" 1
783 1 70 ILE HA 1 70 ILE HB 2.100 . 2.500 2.522 2.522 2.522 0.022 1 0 "[ ]" 1
784 1 70 ILE HA 1 70 ILE QG 2.900 . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
785 1 70 ILE HA 1 71 ILE H 3.400 . 5.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
786 1 70 ILE HA 1 71 ILE QG 3.100 . 4.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
787 1 70 ILE HB 1 70 ILE MD 2.600 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
788 1 70 ILE HB 1 71 ILE H 2.600 . 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
789 1 70 ILE MD 1 70 ILE MG 3.100 . 4.500 1.859 1.859 1.859 . 0 0 "[ ]" 1
790 1 70 ILE MD 1 71 ILE H 2.600 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
791 1 70 ILE QG 1 71 ILE H 2.600 . 3.500 1.689 1.689 1.689 0.111 1 0 "[ ]" 1
792 1 70 ILE MG 1 71 ILE H 2.600 . 3.500 1.816 1.816 1.816 . 0 0 "[ ]" 1
793 1 71 ILE H 1 71 ILE HA 2.600 . 3.500 2.939 2.939 2.939 . 0 0 "[ ]" 1
794 1 71 ILE H 1 71 ILE HB 2.600 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
795 1 71 ILE H 1 71 ILE MD 3.900 . 6.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
796 1 71 ILE H 1 71 ILE QG 3.100 . 4.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
797 1 71 ILE H 1 72 PHE H 3.400 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
798 1 71 ILE HA 1 71 ILE HB 2.600 . 3.500 3.020 3.020 3.020 . 0 0 "[ ]" 1
799 1 71 ILE HA 1 71 ILE MD 2.500 . 3.100 1.963 1.963 1.963 . 0 0 "[ ]" 1
800 1 71 ILE HA 1 71 ILE QG 2.900 . 4.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
801 1 71 ILE HA 1 71 ILE MG 2.500 . 3.100 2.439 2.439 2.439 . 0 0 "[ ]" 1
802 1 71 ILE HA 1 72 PHE H 2.100 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
803 1 71 ILE HB 1 71 ILE MD 3.100 . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
804 1 71 ILE HB 1 71 ILE QG 2.600 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
805 1 71 ILE HB 1 72 PHE H 3.400 . 5.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
806 1 71 ILE MD 1 72 PHE H 3.100 . 4.500 3.319 3.319 3.319 . 0 0 "[ ]" 1
807 1 71 ILE MD 1 76 SER H 3.100 . 4.500 3.807 3.807 3.807 . 0 0 "[ ]" 1
808 1 71 ILE MD 1 77 LEU H 3.900 . 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
809 1 71 ILE QG 1 71 ILE MG 3.100 . 4.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
810 1 71 ILE MG 1 72 PHE H 3.100 . 4.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
811 1 71 ILE MG 1 74 GLY H 2.600 . 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
812 1 71 ILE MG 1 74 GLY QA 3.100 . 4.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
813 1 71 ILE MG 1 75 GLN H 2.600 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
814 1 72 PHE H 1 72 PHE HB3 2.600 . 3.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
815 1 72 PHE H 1 75 GLN H 2.600 . 3.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
816 1 72 PHE H 1 77 LEU MD2 3.100 . 4.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
817 1 72 PHE H 1 77 LEU HG 2.600 . 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
818 1 72 PHE HA 1 72 PHE HB2 2.100 . 2.500 2.521 2.521 2.521 0.021 1 0 "[ ]" 1
819 1 72 PHE HA 1 73 GLN H 2.100 . 2.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
820 1 72 PHE HB2 1 77 LEU QD 3.400 . 5.000 1.744 1.744 1.744 0.056 1 0 "[ ]" 1
821 1 72 PHE HB3 1 77 LEU QD 3.400 . 5.000 1.711 1.711 1.711 0.089 1 0 "[ ]" 1
822 1 72 PHE HB3 1 77 LEU HG 3.400 . 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
823 1 72 PHE QD 1 73 GLN H 3.600 . 5.500 3.298 3.298 3.298 . 0 0 "[ ]" 1
824 1 72 PHE QD 1 77 LEU QD 4.400 . 6.900 2.822 2.822 2.822 . 0 0 "[ ]" 1
825 1 73 GLN H 1 73 GLN HA 2.600 . 3.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
826 1 73 GLN H 1 73 GLN HB2 2.600 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
827 1 73 GLN H 1 73 GLN QG 3.100 . 4.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
828 1 73 GLN H 1 74 GLY H 2.600 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
829 1 73 GLN HA 1 73 GLN QG 2.900 . 4.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
830 1 73 GLN HA 1 74 GLY H 2.600 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
831 1 73 GLN HB2 1 73 GLN HE21 2.600 . 3.500 1.877 1.877 1.877 . 0 0 "[ ]" 1
832 1 73 GLN HE21 1 73 GLN QG 3.100 . 4.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
833 1 74 GLY H 1 74 GLY QA 2.600 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
834 1 74 GLY H 1 75 GLN H 2.600 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
835 1 74 GLY QA 1 75 GLN H 3.100 . 4.500 2.545 2.545 2.545 . 0 0 "[ ]" 1
836 1 74 GLY QA 1 75 GLN HA 3.100 . 4.500 4.025 4.025 4.025 . 0 0 "[ ]" 1
837 1 75 GLN H 1 75 GLN HA 2.600 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
838 1 75 GLN H 1 75 GLN HB2 2.600 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
839 1 75 GLN H 1 75 GLN HB3 2.600 . 3.500 3.078 3.078 3.078 . 0 0 "[ ]" 1
840 1 75 GLN H 1 75 GLN QG 3.900 . 6.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
841 1 75 GLN H 1 76 SER H 3.400 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
842 1 75 GLN H 1 77 LEU MD2 3.900 . 6.000 3.994 3.994 3.994 . 0 0 "[ ]" 1
843 1 75 GLN HA 1 75 GLN HB2 2.600 . 3.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
844 1 75 GLN HA 1 75 GLN HB3 2.600 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
845 1 75 GLN HA 1 75 GLN QG 2.900 . 4.000 2.727 2.727 2.727 . 0 0 "[ ]" 1
846 1 75 GLN HA 1 76 SER H 2.100 . 2.500 2.197 2.197 2.197 . 0 0 "[ ]" 1
847 1 75 GLN HB2 1 76 SER H 3.400 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
848 1 75 GLN HB3 1 76 SER H 3.400 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
849 1 75 GLN QG 1 76 SER H 3.900 . 6.000 2.673 2.673 2.673 . 0 0 "[ ]" 1
850 1 76 SER HA 1 76 SER HB3 2.100 . 2.500 2.950 2.950 2.950 0.450 1 0 "[ ]" 1
851 1 76 SER HA 1 77 LEU H 2.100 . 2.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
852 1 76 SER HB3 1 77 LEU H 2.600 . 3.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
853 1 77 LEU H 1 77 LEU HB2 2.600 . 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
854 1 77 LEU H 1 77 LEU QD 3.000 . 4.200 3.305 3.305 3.305 . 0 0 "[ ]" 1
855 1 77 LEU H 1 77 LEU HG 2.100 . 2.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
856 1 77 LEU HA 1 77 LEU HB2 2.600 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
857 1 77 LEU HA 1 77 LEU HB3 2.600 . 3.500 2.370 2.370 2.370 . 0 0 "[ ]" 1
858 1 77 LEU HA 1 77 LEU QD 2.600 . 3.500 1.987 1.987 1.987 . 0 0 "[ ]" 1
859 1 77 LEU HA 1 78 LYS H 2.600 . 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
860 1 77 LEU HB2 1 77 LEU QD 2.600 . 3.500 2.140 2.140 2.140 . 0 0 "[ ]" 1
861 1 77 LEU HB3 1 77 LEU QD 2.100 . 2.500 2.123 2.123 2.123 . 0 0 "[ ]" 1
862 1 77 LEU HB3 1 78 LYS H 2.100 . 2.500 2.195 2.195 2.195 . 0 0 "[ ]" 1
863 1 77 LEU QD 1 78 LYS H 3.400 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
864 1 78 LYS H 1 78 LYS HA 2.600 . 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 1
865 1 78 LYS H 1 78 LYS HB3 2.600 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
866 1 78 LYS HA 1 78 LYS HB3 2.600 . 3.500 3.021 3.021 3.021 . 0 0 "[ ]" 1
867 1 78 LYS HA 1 78 LYS QG 2.900 . 4.000 2.510 2.510 2.510 . 0 0 "[ ]" 1
868 1 78 LYS HA 1 79 ILE H 2.100 . 2.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
869 1 78 LYS QE 1 78 LYS QG 3.100 . 4.500 2.112 2.112 2.112 . 0 0 "[ ]" 1
870 1 78 LYS QG 1 79 ILE H 3.100 . 4.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
871 1 78 LYS QG 1 79 ILE HA 3.100 . 4.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
872 1 79 ILE H 1 79 ILE HB 2.100 . 2.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
873 1 79 ILE H 1 79 ILE QG 3.100 . 4.500 2.569 2.569 2.569 . 0 0 "[ ]" 1
874 1 79 ILE HA 1 79 ILE HB 2.600 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
875 1 79 ILE HA 1 79 ILE MD 2.900 . 4.000 3.403 3.403 3.403 . 0 0 "[ ]" 1
876 1 79 ILE HA 1 79 ILE QG 2.500 . 3.100 2.174 2.174 2.174 . 0 0 "[ ]" 1
877 1 79 ILE HA 1 79 ILE MG 2.500 . 3.100 2.460 2.460 2.460 . 0 0 "[ ]" 1
878 1 79 ILE HA 1 80 ARG H 2.100 . 2.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
879 1 79 ILE HB 1 79 ILE MD 2.600 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
880 1 79 ILE QG 1 79 ILE MG 3.100 . 4.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
881 1 79 ILE MG 1 80 ARG H 2.600 . 3.500 2.154 2.154 2.154 . 0 0 "[ ]" 1
882 1 80 ARG HA 1 80 ARG HB3 2.600 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
883 1 80 ARG HB3 1 81 ARG H 2.600 . 3.500 2.053 2.053 2.053 . 0 0 "[ ]" 1
884 1 81 ARG H 1 81 ARG QB 2.900 . 4.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
885 1 81 ARG HA 1 82 PRO QD 2.600 . 3.500 1.896 1.896 1.896 . 0 0 "[ ]" 1
886 1 81 ARG QB 1 82 PRO QD 3.600 . 5.500 3.505 3.505 3.505 . 0 0 "[ ]" 1
887 1 85 TYR H 1 85 TYR HA 2.600 . 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 1
888 1 85 TYR H 1 85 TYR QD 3.600 . 5.500 1.911 1.911 1.911 . 0 0 "[ ]" 1
889 1 85 TYR HA 1 85 TYR QB 2.100 . 2.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
890 1 85 TYR HA 1 85 TYR QD 3.100 . 4.500 3.597 3.597 3.597 . 0 0 "[ ]" 1
891 1 85 TYR QB 1 85 TYR QD 2.600 . 3.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
892 1 85 TYR QE 1 86 GLN QB 4.200 . 6.500 3.265 3.265 3.265 . 0 0 "[ ]" 1
893 1 85 TYR QE 1 87 PRO QD 4.900 . 8.000 6.340 6.340 6.340 . 0 0 "[ ]" 1
894 1 86 GLN HA 1 86 GLN QG 2.900 . 4.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
895 1 86 GLN HA 1 87 PRO QD 3.100 . 4.500 1.905 1.905 1.905 . 0 0 "[ ]" 1
896 1 87 PRO HA 1 88 LEU H 2.100 . 2.500 2.322 2.322 2.322 . 0 0 "[ ]" 1
897 1 87 PRO QB 1 88 LEU H 3.100 . 4.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
898 1 88 LEU H 1 88 LEU HA 2.600 . 3.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
899 1 88 LEU H 1 88 LEU HG 3.400 . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
900 1 88 LEU HA 1 88 LEU QB 2.600 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
901 1 88 LEU HA 1 89 PRO QD 2.600 . 3.500 1.891 1.891 1.891 . 0 0 "[ ]" 1
902 1 88 LEU HG 1 89 PRO QD 2.600 . 3.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
903 1 89 PRO HA 1 90 GLY H 2.100 . 2.500 2.503 2.503 2.503 0.003 1 0 "[ ]" 1
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