NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385467 |
1l2m   |
5297 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l2m
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 1371
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 3.116
_Distance_constraint_stats_list.Viol_max 0.119
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0394
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 PHE 0.000 0.000 . 0 "[ ]"
1 5 SER 0.042 0.042 1 0 "[ ]"
1 6 ILE 0.301 0.106 1 0 "[ ]"
1 7 LYS 0.000 0.000 . 0 "[ ]"
1 8 ALA 0.099 0.058 1 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.021 0.021 1 0 "[ ]"
1 11 TYR 0.000 0.000 . 0 "[ ]"
1 12 PHE 0.000 0.000 1 0 "[ ]"
1 13 LEU 0.014 0.014 1 0 "[ ]"
1 14 THR 0.041 0.028 1 0 "[ ]"
1 15 TYR 0.041 0.026 1 0 "[ ]"
1 16 PRO 0.097 0.097 1 0 "[ ]"
1 17 LYS 0.000 0.000 . 0 "[ ]"
1 18 CYS 0.102 0.091 1 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.102 0.091 1 0 "[ ]"
1 21 THR 0.113 0.066 1 0 "[ ]"
1 22 LYS 0.105 0.099 1 0 "[ ]"
1 23 GLU 0.029 0.029 1 0 "[ ]"
1 24 ASN 0.192 0.066 1 0 "[ ]"
1 25 ALA 0.194 0.119 1 0 "[ ]"
1 26 LEU 0.235 0.099 1 0 "[ ]"
1 27 SER 0.085 0.046 1 0 "[ ]"
1 28 GLN 0.033 0.033 1 0 "[ ]"
1 29 ILE 0.194 0.119 1 0 "[ ]"
1 30 THR 0.176 0.078 1 0 "[ ]"
1 31 ASN 0.056 0.046 1 0 "[ ]"
1 32 LEU 0.008 0.008 1 0 "[ ]"
1 33 GLN 0.000 0.000 . 0 "[ ]"
1 34 THR 0.000 0.000 . 0 "[ ]"
1 35 PRO 0.000 0.000 . 0 "[ ]"
1 36 THR 0.159 0.056 1 0 "[ ]"
1 37 ASN 0.187 0.096 1 0 "[ ]"
1 38 LYS 0.008 0.008 1 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 40 PHE 0.031 0.017 1 0 "[ ]"
1 41 ILE 0.024 0.017 1 0 "[ ]"
1 42 LYS 0.047 0.034 1 0 "[ ]"
1 43 ILE 0.026 0.018 1 0 "[ ]"
1 44 CYS 0.002 0.002 1 0 "[ ]"
1 45 ARG 0.018 0.018 1 0 "[ ]"
1 46 GLU 0.076 0.051 1 0 "[ ]"
1 47 LEU 0.020 0.020 1 0 "[ ]"
1 48 HIS 0.039 0.031 1 0 "[ ]"
1 49 GLU 0.000 0.000 . 0 "[ ]"
1 50 ASN 0.026 0.026 1 0 "[ ]"
1 51 GLY 0.120 0.094 1 0 "[ ]"
1 52 GLU 0.125 0.094 1 0 "[ ]"
1 53 PRO 0.020 0.020 1 0 "[ ]"
1 54 HIS 0.097 0.097 1 0 "[ ]"
1 55 LEU 0.041 0.026 1 0 "[ ]"
1 56 HIS 0.051 0.051 1 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.047 0.034 1 0 "[ ]"
1 59 ILE 0.000 0.000 . 0 "[ ]"
1 60 GLN 0.047 0.018 1 0 "[ ]"
1 61 PHE 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.097 0.061 1 0 "[ ]"
1 63 GLY 0.176 0.061 1 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 TYR 0.042 0.042 1 0 "[ ]"
1 66 ASN 0.198 0.106 1 0 "[ ]"
1 67 CYS 0.194 0.085 1 0 "[ ]"
1 68 THR 0.099 0.042 1 0 "[ ]"
1 69 ASN 0.023 0.023 1 0 "[ ]"
1 70 GLN 0.034 0.028 1 0 "[ ]"
1 71 ARG 0.000 0.000 . 0 "[ ]"
1 72 PHE 0.000 0.000 . 0 "[ ]"
1 73 PHE 0.000 0.000 . 0 "[ ]"
1 74 ASP 0.038 0.038 1 0 "[ ]"
1 75 LEU 0.199 0.052 1 0 "[ ]"
1 76 VAL 0.000 0.000 . 0 "[ ]"
1 77 SER 0.074 0.040 1 0 "[ ]"
1 78 PRO 0.000 0.000 . 0 "[ ]"
1 79 THR 0.000 0.000 . 0 "[ ]"
1 80 ARG 0.032 0.028 1 0 "[ ]"
1 81 SER 0.000 0.000 . 0 "[ ]"
1 82 ALA 0.032 0.028 1 0 "[ ]"
1 83 HIS 0.040 0.040 1 0 "[ ]"
1 84 PHE 0.159 0.052 1 0 "[ ]"
1 85 HIS 0.088 0.045 1 0 "[ ]"
1 86 PRO 0.000 0.000 . 0 "[ ]"
1 87 ASN 0.073 0.045 1 0 "[ ]"
1 88 ILE 0.000 0.000 . 0 "[ ]"
1 89 GLN 0.000 0.000 1 0 "[ ]"
1 90 GLY 0.070 0.070 1 0 "[ ]"
1 91 ALA 0.091 0.070 1 0 "[ ]"
1 92 LYS 0.000 0.000 . 0 "[ ]"
1 93 SER 0.000 0.000 . 0 "[ ]"
1 95 SER 0.087 0.087 1 0 "[ ]"
1 96 ASP 0.000 0.000 . 0 "[ ]"
1 97 VAL 0.120 0.087 1 0 "[ ]"
1 98 LYS 0.005 0.005 1 0 "[ ]"
1 99 SER 0.000 0.000 . 0 "[ ]"
1 100 TYR 0.000 0.000 . 0 "[ ]"
1 101 ILE 0.011 0.011 1 0 "[ ]"
1 102 ASP 0.005 0.005 1 0 "[ ]"
1 103 LYS 0.000 0.000 . 0 "[ ]"
1 104 ASP 0.011 0.011 1 0 "[ ]"
1 105 GLY 0.055 0.055 1 0 "[ ]"
1 106 ASP 0.024 0.024 1 0 "[ ]"
1 107 VAL 0.043 0.024 1 0 "[ ]"
1 108 LEU 0.008 0.008 1 0 "[ ]"
1 109 GLU 0.000 0.000 . 0 "[ ]"
1 110 TRP 0.024 0.017 1 0 "[ ]"
1 111 GLY 0.000 0.000 . 0 "[ ]"
1 112 THR 0.014 0.014 1 0 "[ ]"
1 113 PHE 0.000 0.000 . 0 "[ ]"
1 114 GLN 0.137 0.107 1 0 "[ ]"
1 115 ILE 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PHE H 1 4 PHE HB2 . . 3.300 2.723 2.723 2.723 . 0 0 "[ ]" 1
2 1 4 PHE H 1 4 PHE HB3 . . 3.300 2.069 2.069 2.069 . 0 0 "[ ]" 1
3 1 4 PHE HA 1 4 PHE HB2 . . 2.900 2.419 2.419 2.419 . 0 0 "[ ]" 1
4 1 4 PHE HA 1 5 SER H . . 2.900 2.229 2.229 2.229 . 0 0 "[ ]" 1
5 1 4 PHE HA 1 68 THR HA . . 5.500 5.279 5.279 5.279 . 0 0 "[ ]" 1
6 1 4 PHE HB2 1 5 SER H . . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
7 1 4 PHE HB3 1 5 SER H . . 5.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
8 1 4 PHE QD 1 5 SER H . . 5.500 4.188 4.188 4.188 . 0 0 "[ ]" 1
9 1 4 PHE QD 1 5 SER HA . . 7.700 3.883 3.883 3.883 . 0 0 "[ ]" 1
10 1 4 PHE QD 1 6 ILE MD . . 8.700 3.783 3.783 3.783 . 0 0 "[ ]" 1
11 1 4 PHE QD 1 11 TYR QE . . 9.400 7.080 7.080 7.080 . 0 0 "[ ]" 1
12 1 4 PHE QD 1 68 THR HA . . 5.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
13 1 4 PHE QD 1 69 ASN H . . 7.200 3.919 3.919 3.919 . 0 0 "[ ]" 1
14 1 4 PHE QD 1 70 GLN HA . . 7.700 5.692 5.692 5.692 . 0 0 "[ ]" 1
15 1 4 PHE QD 1 70 GLN QG . . 8.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
16 1 4 PHE QD 1 88 ILE MG . . 8.200 5.954 5.954 5.954 . 0 0 "[ ]" 1
17 1 4 PHE QE 1 5 SER H . . 7.700 5.399 5.399 5.399 . 0 0 "[ ]" 1
18 1 4 PHE QE 1 6 ILE MD . . 5.900 1.967 1.967 1.967 . 0 0 "[ ]" 1
19 1 4 PHE QE 1 11 TYR QE . . 9.400 5.447 5.447 5.447 . 0 0 "[ ]" 1
20 1 4 PHE QE 1 67 CYS QB . . 8.580 4.492 4.492 4.492 . 0 0 "[ ]" 1
21 1 4 PHE QE 1 68 THR HA . . 7.700 3.059 3.059 3.059 . 0 0 "[ ]" 1
22 1 4 PHE QE 1 69 ASN H . . 7.200 2.492 2.492 2.492 . 0 0 "[ ]" 1
23 1 4 PHE QE 1 70 GLN HA . . 4.900 3.830 3.830 3.830 . 0 0 "[ ]" 1
24 1 4 PHE QE 1 70 GLN QG . . 8.500 2.249 2.249 2.249 . 0 0 "[ ]" 1
25 1 4 PHE QE 1 88 ILE MD . . 8.700 3.234 3.234 3.234 . 0 0 "[ ]" 1
26 1 4 PHE QE 1 88 ILE MG . . 6.500 4.205 4.205 4.205 . 0 0 "[ ]" 1
27 1 4 PHE HZ 1 6 ILE MD . . 3.700 1.984 1.984 1.984 . 0 0 "[ ]" 1
28 1 4 PHE HZ 1 6 ILE MG . . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
29 1 4 PHE HZ 1 70 GLN HA . . 5.000 4.412 4.412 4.412 . 0 0 "[ ]" 1
30 1 4 PHE HZ 1 88 ILE MD . . 3.700 2.772 2.772 2.772 . 0 0 "[ ]" 1
31 1 4 PHE HZ 1 88 ILE MG . . 4.300 3.397 3.397 3.397 . 0 0 "[ ]" 1
32 1 5 SER H 1 5 SER HB3 . . 3.300 2.670 2.670 2.670 . 0 0 "[ ]" 1
33 1 5 SER H 1 6 ILE H . . 5.500 4.186 4.186 4.186 . 0 0 "[ ]" 1
34 1 5 SER HA 1 5 SER HB2 . . 2.900 2.258 2.258 2.258 . 0 0 "[ ]" 1
35 1 5 SER HA 1 6 ILE H . . 2.900 2.217 2.217 2.217 . 0 0 "[ ]" 1
36 1 5 SER HA 1 66 ASN HD22 . . 3.800 3.343 3.343 3.343 . 0 0 "[ ]" 1
37 1 5 SER HA 1 68 THR HA . . 2.900 1.961 1.961 1.961 . 0 0 "[ ]" 1
38 1 5 SER HA 1 68 THR HB . . 5.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
39 1 5 SER HA 1 68 THR MG . . 4.300 3.636 3.636 3.636 . 0 0 "[ ]" 1
40 1 5 SER HB2 1 6 ILE H . . 5.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
41 1 5 SER HB2 1 68 THR HA . . 3.800 3.842 3.842 3.842 0.042 1 0 "[ ]" 1
42 1 5 SER HB2 1 68 THR MG . . 4.300 3.242 3.242 3.242 . 0 0 "[ ]" 1
43 1 5 SER HB3 1 6 ILE H . . 5.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
44 1 5 SER HB3 1 68 THR HA . . 5.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
45 1 5 SER HB3 1 68 THR MG . . 6.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
46 1 6 ILE H 1 6 ILE HB . . 3.300 2.552 2.552 2.552 . 0 0 "[ ]" 1
47 1 6 ILE H 1 6 ILE QG . . 4.180 2.430 2.430 2.430 . 0 0 "[ ]" 1
48 1 6 ILE H 1 66 ASN HD21 . . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
49 1 6 ILE H 1 66 ASN HD22 . . 5.500 3.203 3.203 3.203 . 0 0 "[ ]" 1
50 1 6 ILE H 1 67 CYS H . . 3.300 3.282 3.282 3.282 . 0 0 "[ ]" 1
51 1 6 ILE H 1 67 CYS O . . 2.400 2.485 2.485 2.485 0.085 1 0 "[ ]" 1
52 1 6 ILE H 1 68 THR HA . . 5.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
53 1 6 ILE H 1 68 THR MG . . 6.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
54 1 6 ILE HA 1 7 LYS H . . 2.900 2.214 2.214 2.214 . 0 0 "[ ]" 1
55 1 6 ILE HA 1 8 ALA MB . . 6.500 5.046 5.046 5.046 . 0 0 "[ ]" 1
56 1 6 ILE HB 1 11 TYR QE . . 5.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
57 1 6 ILE HB 1 67 CYS HA . . 5.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
58 1 6 ILE HB 1 67 CYS HB2 . . 5.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
59 1 6 ILE HB 1 67 CYS HB3 . . 5.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
60 1 6 ILE MD 1 11 TYR QE . . 6.500 2.434 2.434 2.434 . 0 0 "[ ]" 1
61 1 6 ILE MD 1 67 CYS QB . . 5.100 2.842 2.842 2.842 . 0 0 "[ ]" 1
62 1 6 ILE MD 1 88 ILE HB . . 6.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
63 1 6 ILE MD 1 88 ILE MD . . 5.300 3.467 3.467 3.467 . 0 0 "[ ]" 1
64 1 6 ILE MD 1 88 ILE MG . . 4.700 1.966 1.966 1.966 . 0 0 "[ ]" 1
65 1 6 ILE MD 1 90 GLY H . . 4.300 3.267 3.267 3.267 . 0 0 "[ ]" 1
66 1 6 ILE QG 1 67 CYS QB . . 5.800 3.786 3.786 3.786 . 0 0 "[ ]" 1
67 1 6 ILE MG 1 7 LYS H . . 4.300 2.601 2.601 2.601 . 0 0 "[ ]" 1
68 1 6 ILE MG 1 8 ALA H . . 6.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
69 1 6 ILE MG 1 8 ALA MB . . 5.300 2.913 2.913 2.913 . 0 0 "[ ]" 1
70 1 6 ILE MG 1 11 TYR QE . . 5.900 1.932 1.932 1.932 . 0 0 "[ ]" 1
71 1 6 ILE MG 1 67 CYS QB . . 5.100 3.109 3.109 3.109 . 0 0 "[ ]" 1
72 1 6 ILE MG 1 88 ILE MG . . 5.300 3.047 3.047 3.047 . 0 0 "[ ]" 1
73 1 6 ILE MG 1 90 GLY H . . 6.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
74 1 6 ILE MG 1 90 GLY HA2 . . 4.300 3.045 3.045 3.045 . 0 0 "[ ]" 1
75 1 6 ILE MG 1 90 GLY HA3 . . 3.700 2.384 2.384 2.384 . 0 0 "[ ]" 1
76 1 6 ILE N 1 67 CYS O . 2.700 3.400 3.350 3.350 3.350 . 0 0 "[ ]" 1
77 1 6 ILE O 1 66 ASN HD21 . . 2.500 2.606 2.606 2.606 0.106 1 0 "[ ]" 1
78 1 6 ILE O 1 66 ASN ND2 . 2.700 3.200 2.891 2.891 2.891 . 0 0 "[ ]" 1
79 1 6 ILE O 1 67 CYS H . . 2.400 1.769 1.769 1.769 0.031 1 0 "[ ]" 1
80 1 6 ILE O 1 67 CYS N . 2.700 3.200 2.622 2.622 2.622 0.078 1 0 "[ ]" 1
81 1 7 LYS H 1 8 ALA H . . 5.500 4.062 4.062 4.062 . 0 0 "[ ]" 1
82 1 7 LYS HA 1 8 ALA H . . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 1
83 1 7 LYS HA 1 66 ASN HA . . 3.300 2.455 2.455 2.455 . 0 0 "[ ]" 1
84 1 7 LYS HA 1 67 CYS H . . 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
85 1 7 LYS QB 1 8 ALA H . . 4.300 3.745 3.745 3.745 . 0 0 "[ ]" 1
86 1 7 LYS QB 1 66 ASN HD21 . . 5.800 4.981 4.981 4.981 . 0 0 "[ ]" 1
87 1 7 LYS QB 1 66 ASN HD22 . . 6.300 4.375 4.375 4.375 . 0 0 "[ ]" 1
88 1 7 LYS QG 1 8 ALA H . . 5.800 3.510 3.510 3.510 . 0 0 "[ ]" 1
89 1 7 LYS QG 1 66 ASN HD21 . . 4.100 3.481 3.481 3.481 . 0 0 "[ ]" 1
90 1 7 LYS QG 1 66 ASN HD22 . . 5.800 3.037 3.037 3.037 . 0 0 "[ ]" 1
91 1 8 ALA H 1 11 TYR QE . . 5.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
92 1 8 ALA H 1 65 TYR H . . 3.300 3.342 3.342 3.342 0.042 1 0 "[ ]" 1
93 1 8 ALA H 1 65 TYR O . . 2.400 2.226 2.226 2.226 . 0 0 "[ ]" 1
94 1 8 ALA H 1 66 ASN HA . . 3.800 3.858 3.858 3.858 0.058 1 0 "[ ]" 1
95 1 8 ALA HA 1 9 LYS H . . 2.900 2.466 2.466 2.466 . 0 0 "[ ]" 1
96 1 8 ALA HA 1 10 ASN H . . 5.500 4.235 4.235 4.235 . 0 0 "[ ]" 1
97 1 8 ALA HA 1 64 LYS QD . . 4.100 2.958 2.958 2.958 . 0 0 "[ ]" 1
98 1 8 ALA HA 1 64 LYS QE . . 4.100 2.668 2.668 2.668 . 0 0 "[ ]" 1
99 1 8 ALA HA 1 64 LYS QG . . 4.180 3.313 3.313 3.313 . 0 0 "[ ]" 1
100 1 8 ALA MB 1 9 LYS H . . 3.700 2.635 2.635 2.635 . 0 0 "[ ]" 1
101 1 8 ALA MB 1 10 ASN H . . 6.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
102 1 8 ALA MB 1 11 TYR QE . . 6.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
103 1 8 ALA MB 1 64 LYS QE . . 6.800 3.842 3.842 3.842 . 0 0 "[ ]" 1
104 1 8 ALA MB 1 90 GLY H . . 7.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
105 1 8 ALA MB 1 90 GLY HA2 . . 4.300 2.602 2.602 2.602 . 0 0 "[ ]" 1
106 1 8 ALA MB 1 90 GLY HA3 . . 3.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
107 1 8 ALA MB 1 91 ALA H . . 6.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
108 1 8 ALA N 1 65 TYR O . 2.700 3.200 3.191 3.191 3.191 . 0 0 "[ ]" 1
109 1 8 ALA O 1 65 TYR H . . 2.400 1.956 1.956 1.956 . 0 0 "[ ]" 1
110 1 8 ALA O 1 65 TYR N . 2.700 3.200 2.766 2.766 2.766 . 0 0 "[ ]" 1
111 1 9 LYS H 1 10 ASN H . . 2.900 2.315 2.315 2.315 . 0 0 "[ ]" 1
112 1 9 LYS HA 1 61 PHE QD . . 7.200 3.825 3.825 3.825 . 0 0 "[ ]" 1
113 1 9 LYS HA 1 64 LYS HA . . 3.300 2.152 2.152 2.152 . 0 0 "[ ]" 1
114 1 9 LYS HA 1 65 TYR H . . 5.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
115 1 9 LYS QB 1 10 ASN H . . 4.100 3.034 3.034 3.034 . 0 0 "[ ]" 1
116 1 9 LYS QB 1 10 ASN HD21 . . 6.300 3.754 3.754 3.754 . 0 0 "[ ]" 1
117 1 9 LYS QB 1 61 PHE QD . . 7.400 5.228 5.228 5.228 . 0 0 "[ ]" 1
118 1 9 LYS HB2 1 61 PHE QD . . 7.700 5.728 5.728 5.728 . 0 0 "[ ]" 1
119 1 9 LYS HB3 1 61 PHE QD . . 7.700 6.035 6.035 6.035 . 0 0 "[ ]" 1
120 1 9 LYS QD 1 60 GLN HE21 . . 4.100 3.733 3.733 3.733 . 0 0 "[ ]" 1
121 1 9 LYS QD 1 60 GLN HE22 . . 4.100 3.723 3.723 3.723 . 0 0 "[ ]" 1
122 1 9 LYS O 1 61 PHE H . . 2.400 1.833 1.833 1.833 . 0 0 "[ ]" 1
123 1 9 LYS O 1 61 PHE N . 2.700 3.200 2.781 2.781 2.781 . 0 0 "[ ]" 1
124 1 10 ASN H 1 10 ASN HB2 . . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1
125 1 10 ASN H 1 10 ASN HD21 . . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1
126 1 10 ASN H 1 91 ALA MB . . 6.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
127 1 10 ASN HA 1 10 ASN HB3 . . 2.900 2.411 2.411 2.411 . 0 0 "[ ]" 1
128 1 10 ASN HA 1 11 TYR H . . 2.900 2.374 2.374 2.374 . 0 0 "[ ]" 1
129 1 10 ASN HA 1 58 LEU MD2 . . 6.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
130 1 10 ASN HA 1 60 GLN HA . . 3.300 1.992 1.992 1.992 . 0 0 "[ ]" 1
131 1 10 ASN HA 1 61 PHE H . . 5.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
132 1 10 ASN HA 1 97 VAL QG . . 7.200 5.138 5.138 5.138 . 0 0 "[ ]" 1
133 1 10 ASN HB2 1 11 TYR H . . 5.500 3.708 3.708 3.708 . 0 0 "[ ]" 1
134 1 10 ASN HB2 1 58 LEU MD2 . . 6.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
135 1 10 ASN HB2 1 91 ALA MB . . 3.700 1.834 1.834 1.834 . 0 0 "[ ]" 1
136 1 10 ASN HB2 1 97 VAL QG . . 5.500 3.427 3.427 3.427 . 0 0 "[ ]" 1
137 1 10 ASN HB3 1 11 TYR H . . 3.300 2.966 2.966 2.966 . 0 0 "[ ]" 1
138 1 10 ASN HB3 1 58 LEU MD2 . . 6.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
139 1 10 ASN HB3 1 91 ALA MB . . 4.300 2.907 2.907 2.907 . 0 0 "[ ]" 1
140 1 10 ASN QD 1 97 VAL QG . . 7.200 3.214 3.214 3.214 . 0 0 "[ ]" 1
141 1 10 ASN HD21 1 91 ALA O . . 2.400 2.240 2.240 2.240 . 0 0 "[ ]" 1
142 1 10 ASN ND2 1 91 ALA O . 2.700 3.200 3.221 3.221 3.221 0.021 1 0 "[ ]" 1
143 1 10 ASN O 1 91 ALA H . . 2.400 1.823 1.823 1.823 . 0 0 "[ ]" 1
144 1 10 ASN O 1 91 ALA N . 2.700 3.200 2.759 2.759 2.759 . 0 0 "[ ]" 1
145 1 11 TYR H 1 11 TYR HB3 . . 3.800 3.453 3.453 3.453 . 0 0 "[ ]" 1
146 1 11 TYR H 1 58 LEU HA . . 5.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
147 1 11 TYR H 1 58 LEU MD2 . . 6.000 3.014 3.014 3.014 . 0 0 "[ ]" 1
148 1 11 TYR H 1 59 ILE H . . 5.000 2.922 2.922 2.922 . 0 0 "[ ]" 1
149 1 11 TYR H 1 59 ILE HB . . 5.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
150 1 11 TYR H 1 59 ILE O . . 2.400 1.811 1.811 1.811 . 0 0 "[ ]" 1
151 1 11 TYR H 1 60 GLN HA . . 5.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
152 1 11 TYR HA 1 12 PHE H . . 2.900 2.280 2.280 2.280 . 0 0 "[ ]" 1
153 1 11 TYR HA 1 90 GLY HA2 . . 2.900 2.708 2.708 2.708 . 0 0 "[ ]" 1
154 1 11 TYR HA 1 90 GLY HA3 . . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
155 1 11 TYR HA 1 91 ALA H . . 5.500 2.662 2.662 2.662 . 0 0 "[ ]" 1
156 1 11 TYR HB2 1 12 PHE H . . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
157 1 11 TYR HB3 1 12 PHE H . . 6.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
158 1 11 TYR HB3 1 61 PHE QE . . 7.200 3.625 3.625 3.625 . 0 0 "[ ]" 1
159 1 11 TYR QD 1 57 ILE MG . . 8.700 6.551 6.551 6.551 . 0 0 "[ ]" 1
160 1 11 TYR QD 1 61 PHE QD . . 9.900 2.795 2.795 2.795 . 0 0 "[ ]" 1
161 1 11 TYR QD 1 61 PHE QE . . 9.400 2.010 2.010 2.010 . 0 0 "[ ]" 1
162 1 11 TYR QD 1 88 ILE MG . . 6.500 1.926 1.926 1.926 . 0 0 "[ ]" 1
163 1 11 TYR QE 1 61 PHE QD . . 9.400 4.322 4.322 4.322 . 0 0 "[ ]" 1
164 1 11 TYR QE 1 61 PHE QE . . 7.700 4.081 4.081 4.081 . 0 0 "[ ]" 1
165 1 11 TYR QE 1 65 TYR H . . 7.200 3.233 3.233 3.233 . 0 0 "[ ]" 1
166 1 11 TYR QE 1 65 TYR HA . . 7.200 4.220 4.220 4.220 . 0 0 "[ ]" 1
167 1 11 TYR QE 1 65 TYR HB2 . . 7.200 3.655 3.655 3.655 . 0 0 "[ ]" 1
168 1 11 TYR QE 1 65 TYR HB3 . . 7.200 2.013 2.013 2.013 . 0 0 "[ ]" 1
169 1 11 TYR QE 1 65 TYR QD . . 7.100 2.473 2.473 2.473 . 0 0 "[ ]" 1
170 1 11 TYR QE 1 65 TYR QE . . 7.700 4.048 4.048 4.048 . 0 0 "[ ]" 1
171 1 11 TYR QE 1 67 CYS HB2 . . 7.200 2.815 2.815 2.815 . 0 0 "[ ]" 1
172 1 11 TYR QE 1 67 CYS QB . . 6.350 2.025 2.025 2.025 . 0 0 "[ ]" 1
173 1 11 TYR QE 1 67 CYS HB3 . . 7.200 2.076 2.076 2.076 . 0 0 "[ ]" 1
174 1 11 TYR QE 1 73 PHE QE . . 9.400 3.948 3.948 3.948 . 0 0 "[ ]" 1
175 1 11 TYR QE 1 88 ILE MD . . 8.200 4.544 4.544 4.544 . 0 0 "[ ]" 1
176 1 11 TYR QE 1 88 ILE MG . . 5.900 2.099 2.099 2.099 . 0 0 "[ ]" 1
177 1 11 TYR N 1 59 ILE O . 2.700 3.200 2.763 2.763 2.763 . 0 0 "[ ]" 1
178 1 11 TYR O 1 59 ILE H . . 2.400 1.962 1.962 1.962 . 0 0 "[ ]" 1
179 1 11 TYR O 1 59 ILE N . 2.700 3.200 2.948 2.948 2.948 . 0 0 "[ ]" 1
180 1 11 TYR OH 1 65 TYR O . 2.700 3.200 2.914 2.914 2.914 . 0 0 "[ ]" 1
181 1 12 PHE H 1 12 PHE HB3 . . 3.800 3.464 3.464 3.464 . 0 0 "[ ]" 1
182 1 12 PHE H 1 89 GLN O . . 2.400 1.800 1.800 1.800 0.000 1 0 "[ ]" 1
183 1 12 PHE H 1 90 GLY H . . 5.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
184 1 12 PHE H 1 90 GLY HA2 . . 5.500 3.965 3.965 3.965 . 0 0 "[ ]" 1
185 1 12 PHE HA 1 13 LEU H . . 2.900 2.196 2.196 2.196 . 0 0 "[ ]" 1
186 1 12 PHE HA 1 58 LEU HA . . 5.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
187 1 12 PHE HA 1 58 LEU MD2 . . 4.300 3.206 3.206 3.206 . 0 0 "[ ]" 1
188 1 12 PHE HA 1 59 ILE H . . 5.500 3.611 3.611 3.611 . 0 0 "[ ]" 1
189 1 12 PHE HB2 1 13 LEU H . . 5.000 4.518 4.518 4.518 . 0 0 "[ ]" 1
190 1 12 PHE HB2 1 58 LEU MD2 . . 6.500 4.184 4.184 4.184 . 0 0 "[ ]" 1
191 1 12 PHE HB3 1 13 LEU H . . 5.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
192 1 12 PHE HB3 1 58 LEU MD2 . . 6.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
193 1 12 PHE QD 1 13 LEU H . . 7.200 3.752 3.752 3.752 . 0 0 "[ ]" 1
194 1 12 PHE QD 1 58 LEU MD2 . . 6.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
195 1 12 PHE QD 1 91 ALA MB . . 6.500 2.082 2.082 2.082 . 0 0 "[ ]" 1
196 1 12 PHE QE 1 91 ALA MB . . 6.500 1.965 1.965 1.965 . 0 0 "[ ]" 1
197 1 12 PHE QE 1 97 VAL HA . . 7.700 4.354 4.354 4.354 . 0 0 "[ ]" 1
198 1 12 PHE QE 1 97 VAL QG . . 9.400 2.795 2.795 2.795 . 0 0 "[ ]" 1
199 1 12 PHE HZ 1 91 ALA MB . . 6.500 4.055 4.055 4.055 . 0 0 "[ ]" 1
200 1 12 PHE HZ 1 97 VAL HA . . 3.300 3.251 3.251 3.251 . 0 0 "[ ]" 1
201 1 12 PHE HZ 1 97 VAL QG . . 4.900 2.960 2.960 2.960 . 0 0 "[ ]" 1
202 1 12 PHE N 1 89 GLN O . 2.700 3.200 2.745 2.745 2.745 . 0 0 "[ ]" 1
203 1 12 PHE O 1 89 GLN H . . 2.400 2.321 2.321 2.321 . 0 0 "[ ]" 1
204 1 12 PHE O 1 89 GLN N . 2.700 3.200 3.048 3.048 3.048 . 0 0 "[ ]" 1
205 1 13 LEU H 1 13 LEU HB2 . . 3.300 2.512 2.512 2.512 . 0 0 "[ ]" 1
206 1 13 LEU H 1 57 ILE H . . 5.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
207 1 13 LEU H 1 57 ILE O . . 2.400 2.252 2.252 2.252 . 0 0 "[ ]" 1
208 1 13 LEU H 1 58 LEU HA . . 5.500 3.865 3.865 3.865 . 0 0 "[ ]" 1
209 1 13 LEU HA 1 14 THR H . . 2.900 2.199 2.199 2.199 . 0 0 "[ ]" 1
210 1 13 LEU HA 1 88 ILE HA . . 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 1
211 1 13 LEU HA 1 89 GLN H . . 5.500 3.967 3.967 3.967 . 0 0 "[ ]" 1
212 1 13 LEU HB2 1 14 THR H . . 5.500 4.235 4.235 4.235 . 0 0 "[ ]" 1
213 1 13 LEU HB2 1 57 ILE HB . . 3.300 1.982 1.982 1.982 . 0 0 "[ ]" 1
214 1 13 LEU HB3 1 14 THR H . . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
215 1 13 LEU HB3 1 57 ILE HB . . 5.500 3.627 3.627 3.627 . 0 0 "[ ]" 1
216 1 13 LEU MD1 1 59 ILE MD . . 7.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
217 1 13 LEU MD1 1 73 PHE QD . . 6.500 2.837 2.837 2.837 . 0 0 "[ ]" 1
218 1 13 LEU MD1 1 88 ILE MD . . 5.300 3.661 3.661 3.661 . 0 0 "[ ]" 1
219 1 13 LEU MD1 1 88 ILE MG . . 4.700 2.481 2.481 2.481 . 0 0 "[ ]" 1
220 1 13 LEU MD1 1 89 GLN H . . 6.000 2.970 2.970 2.970 . 0 0 "[ ]" 1
221 1 13 LEU MD2 1 57 ILE HB . . 6.000 2.897 2.897 2.897 . 0 0 "[ ]" 1
222 1 13 LEU MD2 1 57 ILE MD . . 5.300 3.220 3.220 3.220 . 0 0 "[ ]" 1
223 1 13 LEU MD2 1 57 ILE MG . . 5.300 2.068 2.068 2.068 . 0 0 "[ ]" 1
224 1 13 LEU MD2 1 73 PHE QD . . 6.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
225 1 13 LEU MD2 1 88 ILE MG . . 7.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
226 1 13 LEU N 1 57 ILE O . 2.700 3.200 3.097 3.097 3.097 . 0 0 "[ ]" 1
227 1 13 LEU O 1 57 ILE H . . 2.400 2.354 2.354 2.354 . 0 0 "[ ]" 1
228 1 13 LEU O 1 57 ILE N . 2.700 3.200 3.029 3.029 3.029 . 0 0 "[ ]" 1
229 1 14 THR H 1 14 THR HB . . 3.300 2.663 2.663 2.663 . 0 0 "[ ]" 1
230 1 14 THR H 1 15 TYR H . . 5.500 4.318 4.318 4.318 . 0 0 "[ ]" 1
231 1 14 THR H 1 87 ASN H . . 3.300 2.529 2.529 2.529 . 0 0 "[ ]" 1
232 1 14 THR H 1 87 ASN QB . . 4.100 3.140 3.140 3.140 . 0 0 "[ ]" 1
233 1 14 THR H 1 87 ASN O . . 2.400 2.344 2.344 2.344 . 0 0 "[ ]" 1
234 1 14 THR H 1 88 ILE HA . . 5.500 4.389 4.389 4.389 . 0 0 "[ ]" 1
235 1 14 THR HA 1 15 TYR H . . 2.900 2.154 2.154 2.154 . 0 0 "[ ]" 1
236 1 14 THR HA 1 56 HIS HA . . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
237 1 14 THR HA 1 57 ILE H . . 5.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
238 1 14 THR HB 1 15 TYR H . . 5.500 4.313 4.313 4.313 . 0 0 "[ ]" 1
239 1 14 THR HB 1 87 ASN QB . . 3.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
240 1 14 THR MG 1 54 HIS HD2 . . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 1
241 1 14 THR MG 1 56 HIS HA . . 6.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
242 1 14 THR MG 1 56 HIS HD2 . . 6.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
243 1 14 THR MG 1 56 HIS HE1 . . 3.900 2.889 2.889 2.889 . 0 0 "[ ]" 1
244 1 14 THR MG 1 87 ASN QB . . 7.300 3.692 3.692 3.692 . 0 0 "[ ]" 1
245 1 14 THR N 1 87 ASN O . 2.700 3.200 3.228 3.228 3.228 0.028 1 0 "[ ]" 1
246 1 14 THR O 1 87 ASN H . . 2.400 1.970 1.970 1.970 . 0 0 "[ ]" 1
247 1 14 THR O 1 87 ASN N . 2.700 3.200 2.942 2.942 2.942 . 0 0 "[ ]" 1
248 1 15 TYR H 1 15 TYR HB2 . . 3.300 2.565 2.565 2.565 . 0 0 "[ ]" 1
249 1 15 TYR H 1 55 LEU H . . 5.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
250 1 15 TYR H 1 55 LEU O . . 2.400 2.136 2.136 2.136 . 0 0 "[ ]" 1
251 1 15 TYR H 1 56 HIS HA . . 5.500 4.057 4.057 4.057 . 0 0 "[ ]" 1
252 1 15 TYR HA 1 16 PRO HD2 . . 3.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
253 1 15 TYR HA 1 16 PRO HD3 . . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1
254 1 15 TYR HA 1 55 LEU QB . . 6.300 4.696 4.696 4.696 . 0 0 "[ ]" 1
255 1 15 TYR HA 1 87 ASN H . . 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
256 1 15 TYR QB 1 17 LYS H . . 6.300 5.430 5.430 5.430 . 0 0 "[ ]" 1
257 1 15 TYR QB 1 55 LEU QB . . 4.900 2.086 2.086 2.086 . 0 0 "[ ]" 1
258 1 15 TYR QD 1 57 ILE MD . . 8.700 3.939 3.939 3.939 . 0 0 "[ ]" 1
259 1 15 TYR QD 1 57 ILE MG . . 8.700 5.596 5.596 5.596 . 0 0 "[ ]" 1
260 1 15 TYR QE 1 55 LEU HA . . 7.200 5.702 5.702 5.702 . 0 0 "[ ]" 1
261 1 15 TYR QE 1 57 ILE MD . . 6.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
262 1 15 TYR QE 1 57 ILE MG . . 6.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
263 1 15 TYR QE 1 75 LEU MD1 . . 6.100 1.758 1.758 1.758 . 0 0 "[ ]" 1
264 1 15 TYR QE 1 75 LEU MD2 . . 6.100 3.552 3.552 3.552 . 0 0 "[ ]" 1
265 1 15 TYR N 1 55 LEU O . 2.700 3.200 3.108 3.108 3.108 . 0 0 "[ ]" 1
266 1 15 TYR O 1 55 LEU H . . 2.400 2.426 2.426 2.426 0.026 1 0 "[ ]" 1
267 1 15 TYR O 1 55 LEU N . 2.700 3.200 3.215 3.215 3.215 0.015 1 0 "[ ]" 1
268 1 16 PRO HA 1 17 LYS H . . 2.900 2.194 2.194 2.194 . 0 0 "[ ]" 1
269 1 16 PRO HA 1 54 HIS HA . . 3.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
270 1 16 PRO HA 1 54 HIS HD2 . . 3.300 3.397 3.397 3.397 0.097 1 0 "[ ]" 1
271 1 16 PRO HD2 1 86 PRO HA . . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
272 1 16 PRO HD3 1 86 PRO HA . . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
273 1 17 LYS H 1 17 LYS HA . . 2.900 2.241 2.241 2.241 . 0 0 "[ ]" 1
274 1 17 LYS H 1 17 LYS QG . . 4.100 3.820 3.820 3.820 . 0 0 "[ ]" 1
275 1 17 LYS H 1 18 CYS H . . 5.000 2.978 2.978 2.978 . 0 0 "[ ]" 1
276 1 17 LYS H 1 54 HIS HA . . 5.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
277 1 17 LYS HA 1 18 CYS H . . 2.900 2.795 2.795 2.795 . 0 0 "[ ]" 1
278 1 18 CYS H 1 54 HIS HA . . 3.800 3.221 3.221 3.221 . 0 0 "[ ]" 1
279 1 18 CYS HA 1 19 ASP H . . 2.900 2.226 2.226 2.226 . 0 0 "[ ]" 1
280 1 18 CYS HA 1 20 LEU H . . 5.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
281 1 18 CYS HA 1 84 PHE QD . . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
282 1 18 CYS HA 1 84 PHE QE . . 5.500 4.785 4.785 4.785 . 0 0 "[ ]" 1
283 1 18 CYS O 1 20 LEU H . . 2.600 2.691 2.691 2.691 0.091 1 0 "[ ]" 1
284 1 18 CYS O 1 20 LEU N . . 3.200 3.211 3.211 3.211 0.011 1 0 "[ ]" 1
285 1 19 ASP H 1 19 ASP HB3 . . 3.800 3.287 3.287 3.287 . 0 0 "[ ]" 1
286 1 19 ASP H 1 20 LEU H . . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 1
287 1 19 ASP HA 1 53 PRO QB . . 4.100 3.440 3.440 3.440 . 0 0 "[ ]" 1
288 1 19 ASP HA 1 53 PRO QG . . 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 1
289 1 19 ASP HB3 1 20 LEU H . . 5.000 4.101 4.101 4.101 . 0 0 "[ ]" 1
290 1 20 LEU H 1 20 LEU QB . . 3.670 2.171 2.171 2.171 . 0 0 "[ ]" 1
291 1 20 LEU H 1 20 LEU MD1 . . 4.800 3.885 3.885 3.885 . 0 0 "[ ]" 1
292 1 20 LEU H 1 20 LEU HG . . 5.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
293 1 20 LEU H 1 21 THR H . . 5.500 4.618 4.618 4.618 . 0 0 "[ ]" 1
294 1 20 LEU HA 1 21 THR H . . 2.900 2.236 2.236 2.236 . 0 0 "[ ]" 1
295 1 20 LEU HA 1 24 ASN QB . . 5.880 4.188 4.188 4.188 . 0 0 "[ ]" 1
296 1 20 LEU HA 1 25 ALA MB . . 6.500 5.321 5.321 5.321 . 0 0 "[ ]" 1
297 1 20 LEU QB 1 21 THR H . . 4.180 3.684 3.684 3.684 . 0 0 "[ ]" 1
298 1 20 LEU QB 1 24 ASN QB . . 6.320 4.423 4.423 4.423 . 0 0 "[ ]" 1
299 1 20 LEU QB 1 25 ALA H . . 5.880 5.076 5.076 5.076 . 0 0 "[ ]" 1
300 1 20 LEU QB 1 25 ALA MB . . 7.380 3.769 3.769 3.769 . 0 0 "[ ]" 1
301 1 20 LEU HB2 1 24 ASN HB2 . . 7.250 5.298 5.298 5.298 . 0 0 "[ ]" 1
302 1 20 LEU HB2 1 24 ASN HB3 . . 7.250 6.405 6.405 6.405 . 0 0 "[ ]" 1
303 1 20 LEU HB3 1 24 ASN HB2 . . 7.250 5.047 5.047 5.047 . 0 0 "[ ]" 1
304 1 20 LEU HB3 1 24 ASN HB3 . . 7.250 6.498 6.498 6.498 . 0 0 "[ ]" 1
305 1 20 LEU MD1 1 21 THR H . . 6.000 2.052 2.052 2.052 . 0 0 "[ ]" 1
306 1 20 LEU MD1 1 24 ASN HB2 . . 6.000 2.107 2.107 2.107 . 0 0 "[ ]" 1
307 1 20 LEU MD1 1 24 ASN QB . . 5.360 2.038 2.038 2.038 . 0 0 "[ ]" 1
308 1 20 LEU MD1 1 24 ASN HB3 . . 6.000 2.706 2.706 2.706 . 0 0 "[ ]" 1
309 1 20 LEU MD1 1 25 ALA H . . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
310 1 20 LEU MD1 1 25 ALA HA . . 6.500 4.439 4.439 4.439 . 0 0 "[ ]" 1
311 1 20 LEU MD1 1 25 ALA MB . . 5.800 3.925 3.925 3.925 . 0 0 "[ ]" 1
312 1 20 LEU MD1 1 75 LEU HB2 . . 6.000 4.925 4.925 4.925 . 0 0 "[ ]" 1
313 1 20 LEU MD1 1 75 LEU MD1 . . 7.500 5.118 5.118 5.118 . 0 0 "[ ]" 1
314 1 20 LEU MD1 1 75 LEU MD2 . . 5.500 3.532 3.532 3.532 . 0 0 "[ ]" 1
315 1 20 LEU MD1 1 77 SER HA . . 3.700 2.673 2.673 2.673 . 0 0 "[ ]" 1
316 1 20 LEU MD1 1 77 SER QB . . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1
317 1 20 LEU MD1 1 78 PRO HD2 . . 4.300 3.112 3.112 3.112 . 0 0 "[ ]" 1
318 1 20 LEU MD1 1 78 PRO HD3 . . 4.300 2.644 2.644 2.644 . 0 0 "[ ]" 1
319 1 20 LEU MD1 1 84 PHE QD . . 8.700 3.292 3.292 3.292 . 0 0 "[ ]" 1
320 1 20 LEU MD1 1 84 PHE QE . . 6.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
321 1 20 LEU MD1 1 84 PHE HZ . . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
322 1 20 LEU MD2 1 21 THR H . . 7.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
323 1 20 LEU MD2 1 24 ASN QB . . 7.380 3.403 3.403 3.403 . 0 0 "[ ]" 1
324 1 20 LEU MD2 1 25 ALA HA . . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1
325 1 20 LEU MD2 1 25 ALA MB . . 4.700 2.658 2.658 2.658 . 0 0 "[ ]" 1
326 1 20 LEU MD2 1 28 GLN HE21 . . 6.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
327 1 20 LEU MD2 1 28 GLN HE22 . . 4.300 3.109 3.109 3.109 . 0 0 "[ ]" 1
328 1 20 LEU MD2 1 75 LEU HA . . 6.500 3.855 3.855 3.855 . 0 0 "[ ]" 1
329 1 20 LEU MD2 1 75 LEU HB2 . . 6.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
330 1 20 LEU MD2 1 75 LEU HB3 . . 6.000 1.819 1.819 1.819 . 0 0 "[ ]" 1
331 1 20 LEU MD2 1 75 LEU MD1 . . 5.300 3.019 3.019 3.019 . 0 0 "[ ]" 1
332 1 20 LEU MD2 1 75 LEU MD2 . . 4.700 1.905 1.905 1.905 . 0 0 "[ ]" 1
333 1 20 LEU MD2 1 77 SER HA . . 6.500 4.056 4.056 4.056 . 0 0 "[ ]" 1
334 1 20 LEU MD2 1 77 SER QB . . 7.300 4.792 4.792 4.792 . 0 0 "[ ]" 1
335 1 20 LEU MD2 1 84 PHE QD . . 6.700 2.270 2.270 2.270 . 0 0 "[ ]" 1
336 1 20 LEU MD2 1 84 PHE QE . . 8.200 3.391 3.391 3.391 . 0 0 "[ ]" 1
337 1 20 LEU HG 1 21 THR H . . 5.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
338 1 21 THR H 1 22 LYS H . . 5.500 4.607 4.607 4.607 . 0 0 "[ ]" 1
339 1 21 THR H 1 23 GLU H . . 5.500 4.972 4.972 4.972 . 0 0 "[ ]" 1
340 1 21 THR H 1 24 ASN H . . 5.500 3.846 3.846 3.846 . 0 0 "[ ]" 1
341 1 21 THR H 1 24 ASN QB . . 4.100 3.084 3.084 3.084 . 0 0 "[ ]" 1
342 1 21 THR H 1 24 ASN OD1 . . 2.400 2.447 2.447 2.447 0.047 1 0 "[ ]" 1
343 1 21 THR H 1 25 ALA H . . 5.500 4.279 4.279 4.279 . 0 0 "[ ]" 1
344 1 21 THR HA 1 22 LYS H . . 2.900 2.416 2.416 2.416 . 0 0 "[ ]" 1
345 1 21 THR HA 1 23 GLU H . . 5.000 4.088 4.088 4.088 . 0 0 "[ ]" 1
346 1 21 THR HB 1 22 LYS H . . 2.900 2.742 2.742 2.742 . 0 0 "[ ]" 1
347 1 21 THR HB 1 23 GLU H . . 3.300 3.007 3.007 3.007 . 0 0 "[ ]" 1
348 1 21 THR HB 1 24 ASN H . . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
349 1 21 THR HB 1 25 ALA H . . 5.500 5.433 5.433 5.433 . 0 0 "[ ]" 1
350 1 21 THR MG 1 22 LYS H . . 4.800 4.119 4.119 4.119 . 0 0 "[ ]" 1
351 1 21 THR MG 1 24 ASN H . . 6.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
352 1 21 THR MG 1 24 ASN HD21 . . 6.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
353 1 21 THR N 1 24 ASN OD1 . 2.700 3.300 3.366 3.366 3.366 0.066 1 0 "[ ]" 1
354 1 21 THR O 1 25 ALA H . . 2.400 2.002 2.002 2.002 . 0 0 "[ ]" 1
355 1 21 THR O 1 25 ALA N . . 3.200 2.975 2.975 2.975 . 0 0 "[ ]" 1
356 1 21 THR OG1 1 24 ASN H . . 2.400 2.083 2.083 2.083 . 0 0 "[ ]" 1
357 1 21 THR OG1 1 24 ASN N . 2.700 3.200 3.073 3.073 3.073 . 0 0 "[ ]" 1
358 1 22 LYS H 1 22 LYS HB3 . . 3.300 2.892 2.892 2.892 . 0 0 "[ ]" 1
359 1 22 LYS H 1 22 LYS QG . . 4.180 1.803 1.803 1.803 . 0 0 "[ ]" 1
360 1 22 LYS H 1 23 GLU H . . 2.900 2.487 2.487 2.487 . 0 0 "[ ]" 1
361 1 22 LYS H 1 24 ASN H . . 5.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
362 1 22 LYS HA 1 25 ALA H . . 5.000 3.331 3.331 3.331 . 0 0 "[ ]" 1
363 1 22 LYS HA 1 25 ALA MB . . 4.300 2.504 2.504 2.504 . 0 0 "[ ]" 1
364 1 22 LYS HA 1 26 LEU H . . 5.500 3.609 3.609 3.609 . 0 0 "[ ]" 1
365 1 22 LYS HA 1 43 ILE MG . . 3.700 2.425 2.425 2.425 . 0 0 "[ ]" 1
366 1 22 LYS HB2 1 23 GLU H . . 5.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
367 1 22 LYS HB3 1 23 GLU H . . 5.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
368 1 22 LYS O 1 26 LEU H . . 2.400 1.701 1.701 1.701 0.099 1 0 "[ ]" 1
369 1 22 LYS O 1 26 LEU N . 2.500 3.200 2.494 2.494 2.494 0.006 1 0 "[ ]" 1
370 1 23 GLU H 1 23 GLU HG2 . . 5.500 4.200 4.200 4.200 . 0 0 "[ ]" 1
371 1 23 GLU H 1 23 GLU HG3 . . 5.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
372 1 23 GLU H 1 24 ASN H . . 2.900 2.672 2.672 2.672 . 0 0 "[ ]" 1
373 1 23 GLU H 1 25 ALA H . . 5.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
374 1 23 GLU H 1 26 LEU H . . 5.500 4.273 4.273 4.273 . 0 0 "[ ]" 1
375 1 23 GLU H 1 108 LEU MD1 . . 6.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
376 1 23 GLU HA 1 26 LEU H . . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
377 1 23 GLU HA 1 26 LEU HB2 . . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
378 1 23 GLU HA 1 26 LEU HB3 . . 3.300 2.257 2.257 2.257 . 0 0 "[ ]" 1
379 1 23 GLU HA 1 26 LEU MD1 . . 4.300 3.317 3.317 3.317 . 0 0 "[ ]" 1
380 1 23 GLU HA 1 27 SER H . . 5.500 3.841 3.841 3.841 . 0 0 "[ ]" 1
381 1 23 GLU HA 1 108 LEU MD1 . . 3.700 2.952 2.952 2.952 . 0 0 "[ ]" 1
382 1 23 GLU HA 1 108 LEU MD2 . . 6.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
383 1 23 GLU QB 1 24 ASN H . . 4.100 2.642 2.642 2.642 . 0 0 "[ ]" 1
384 1 23 GLU QB 1 108 LEU MD1 . . 6.190 4.138 4.138 4.138 . 0 0 "[ ]" 1
385 1 23 GLU HB2 1 108 LEU MD1 . . 6.500 4.412 4.412 4.412 . 0 0 "[ ]" 1
386 1 23 GLU HB3 1 108 LEU MD1 . . 6.500 5.008 5.008 5.008 . 0 0 "[ ]" 1
387 1 23 GLU QG 1 108 LEU MD1 . . 5.150 2.851 2.851 2.851 . 0 0 "[ ]" 1
388 1 23 GLU QG 1 108 LEU MD2 . . 6.880 4.853 4.853 4.853 . 0 0 "[ ]" 1
389 1 23 GLU HG2 1 108 LEU MD1 . . 6.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
390 1 23 GLU HG3 1 108 LEU MD1 . . 6.000 3.069 3.069 3.069 . 0 0 "[ ]" 1
391 1 23 GLU O 1 27 SER H . . 2.400 1.771 1.771 1.771 0.029 1 0 "[ ]" 1
392 1 23 GLU O 1 27 SER N . 2.700 3.200 2.718 2.718 2.718 . 0 0 "[ ]" 1
393 1 24 ASN H 1 24 ASN QB . . 3.700 2.642 2.642 2.642 . 0 0 "[ ]" 1
394 1 24 ASN H 1 24 ASN HD21 . . 5.500 2.638 2.638 2.638 . 0 0 "[ ]" 1
395 1 24 ASN H 1 24 ASN HD22 . . 6.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
396 1 24 ASN H 1 25 ALA H . . 2.900 2.614 2.614 2.614 . 0 0 "[ ]" 1
397 1 24 ASN H 1 26 LEU H . . 5.500 3.808 3.808 3.808 . 0 0 "[ ]" 1
398 1 24 ASN HA 1 24 ASN HD21 . . 3.300 1.942 1.942 1.942 . 0 0 "[ ]" 1
399 1 24 ASN HA 1 27 SER H . . 3.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
400 1 24 ASN HA 1 27 SER HA . . 5.500 5.546 5.546 5.546 0.046 1 0 "[ ]" 1
401 1 24 ASN HA 1 27 SER QB . . 3.700 2.741 2.741 2.741 . 0 0 "[ ]" 1
402 1 24 ASN HA 1 28 GLN H . . 5.500 3.856 3.856 3.856 . 0 0 "[ ]" 1
403 1 24 ASN HD21 1 78 PRO QG . . 4.100 3.569 3.569 3.569 . 0 0 "[ ]" 1
404 1 24 ASN HD22 1 78 PRO QG . . 4.100 3.657 3.657 3.657 . 0 0 "[ ]" 1
405 1 24 ASN O 1 28 GLN H . . 2.400 1.767 1.767 1.767 0.033 1 0 "[ ]" 1
406 1 24 ASN O 1 28 GLN N . 2.700 3.200 2.736 2.736 2.736 . 0 0 "[ ]" 1
407 1 25 ALA H 1 26 LEU H . . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 1
408 1 25 ALA H 1 27 SER H . . 5.500 4.143 4.143 4.143 . 0 0 "[ ]" 1
409 1 25 ALA H 1 43 ILE MD . . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 1
410 1 25 ALA H 1 55 LEU QD . . 7.700 5.126 5.126 5.126 . 0 0 "[ ]" 1
411 1 25 ALA HA 1 28 GLN H . . 5.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
412 1 25 ALA HA 1 28 GLN HB2 . . 5.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
413 1 25 ALA HA 1 28 GLN HB3 . . 5.500 3.925 3.925 3.925 . 0 0 "[ ]" 1
414 1 25 ALA HA 1 75 LEU MD1 . . 4.300 3.509 3.509 3.509 . 0 0 "[ ]" 1
415 1 25 ALA HA 1 75 LEU MD2 . . 4.300 1.798 1.798 1.798 . 0 0 "[ ]" 1
416 1 25 ALA MB 1 43 ILE MD . . 4.900 2.900 2.900 2.900 . 0 0 "[ ]" 1
417 1 25 ALA MB 1 43 ILE QG . . 6.880 4.078 4.078 4.078 . 0 0 "[ ]" 1
418 1 25 ALA MB 1 43 ILE MG . . 5.300 3.341 3.341 3.341 . 0 0 "[ ]" 1
419 1 25 ALA MB 1 55 LEU QD . . 5.900 3.273 3.273 3.273 . 0 0 "[ ]" 1
420 1 25 ALA MB 1 57 ILE MD . . 5.300 2.118 2.118 2.118 . 0 0 "[ ]" 1
421 1 25 ALA MB 1 75 LEU MD1 . . 7.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
422 1 25 ALA MB 1 75 LEU MD2 . . 4.900 2.277 2.277 2.277 . 0 0 "[ ]" 1
423 1 25 ALA O 1 29 ILE H . . 2.400 1.681 1.681 1.681 0.119 1 0 "[ ]" 1
424 1 25 ALA O 1 29 ILE N . 2.700 3.200 2.625 2.625 2.625 0.075 1 0 "[ ]" 1
425 1 26 LEU H 1 26 LEU HB2 . . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 1
426 1 26 LEU H 1 26 LEU HB3 . . 3.300 2.219 2.219 2.219 . 0 0 "[ ]" 1
427 1 26 LEU H 1 26 LEU HG . . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
428 1 26 LEU H 1 27 SER H . . 2.900 2.575 2.575 2.575 . 0 0 "[ ]" 1
429 1 26 LEU H 1 27 SER QB . . 6.300 4.301 4.301 4.301 . 0 0 "[ ]" 1
430 1 26 LEU H 1 28 GLN H . . 5.500 3.994 3.994 3.994 . 0 0 "[ ]" 1
431 1 26 LEU H 1 29 ILE H . . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
432 1 26 LEU H 1 43 ILE MD . . 4.300 3.194 3.194 3.194 . 0 0 "[ ]" 1
433 1 26 LEU HA 1 29 ILE H . . 5.500 3.644 3.644 3.644 . 0 0 "[ ]" 1
434 1 26 LEU HA 1 29 ILE HB . . 5.000 2.721 2.721 2.721 . 0 0 "[ ]" 1
435 1 26 LEU HA 1 30 THR H . . 5.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
436 1 26 LEU HA 1 43 ILE MD . . 3.700 2.265 2.265 2.265 . 0 0 "[ ]" 1
437 1 26 LEU HB2 1 27 SER H . . 5.500 4.074 4.074 4.074 . 0 0 "[ ]" 1
438 1 26 LEU HB2 1 43 ILE MD . . 4.300 1.825 1.825 1.825 . 0 0 "[ ]" 1
439 1 26 LEU HB3 1 27 SER H . . 3.300 2.756 2.756 2.756 . 0 0 "[ ]" 1
440 1 26 LEU HB3 1 43 ILE MD . . 4.300 3.226 3.226 3.226 . 0 0 "[ ]" 1
441 1 26 LEU MD1 1 30 THR MG . . 5.300 3.222 3.222 3.222 . 0 0 "[ ]" 1
442 1 26 LEU MD1 1 41 ILE MD . . 7.500 4.873 4.873 4.873 . 0 0 "[ ]" 1
443 1 26 LEU MD1 1 41 ILE MG . . 7.500 4.731 4.731 4.731 . 0 0 "[ ]" 1
444 1 26 LEU MD1 1 43 ILE MD . . 5.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
445 1 26 LEU MD1 1 110 TRP QB . . 6.800 4.082 4.082 4.082 . 0 0 "[ ]" 1
446 1 26 LEU MD1 1 110 TRP HD1 . . 4.300 3.439 3.439 3.439 . 0 0 "[ ]" 1
447 1 26 LEU MD2 1 30 THR MG . . 4.700 2.885 2.885 2.885 . 0 0 "[ ]" 1
448 1 26 LEU MD2 1 41 ILE MD . . 4.700 3.105 3.105 3.105 . 0 0 "[ ]" 1
449 1 26 LEU MD2 1 41 ILE MG . . 5.300 2.404 2.404 2.404 . 0 0 "[ ]" 1
450 1 26 LEU MD2 1 43 ILE MD . . 4.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
451 1 26 LEU MD2 1 110 TRP QB . . 6.800 2.375 2.375 2.375 . 0 0 "[ ]" 1
452 1 26 LEU MD2 1 110 TRP HD1 . . 6.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
453 1 26 LEU HG 1 27 SER H . . 5.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
454 1 26 LEU HG 1 30 THR MG . . 6.500 5.252 5.252 5.252 . 0 0 "[ ]" 1
455 1 26 LEU HG 1 43 ILE MD . . 6.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
456 1 26 LEU O 1 30 THR H . . 2.400 1.722 1.722 1.722 0.078 1 0 "[ ]" 1
457 1 26 LEU O 1 30 THR N . 2.700 3.200 2.647 2.647 2.647 0.053 1 0 "[ ]" 1
458 1 27 SER H 1 27 SER QB . . 3.500 2.192 2.192 2.192 . 0 0 "[ ]" 1
459 1 27 SER H 1 28 GLN H . . 2.900 2.613 2.613 2.613 . 0 0 "[ ]" 1
460 1 27 SER H 1 29 ILE H . . 5.500 4.160 4.160 4.160 . 0 0 "[ ]" 1
461 1 27 SER HA 1 30 THR H . . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
462 1 27 SER HA 1 30 THR HB . . 5.000 2.530 2.530 2.530 . 0 0 "[ ]" 1
463 1 27 SER HA 1 30 THR MG . . 6.500 3.895 3.895 3.895 . 0 0 "[ ]" 1
464 1 27 SER QB 1 28 GLN H . . 4.100 2.590 2.590 2.590 . 0 0 "[ ]" 1
465 1 27 SER QB 1 30 THR MG . . 7.300 5.365 5.365 5.365 . 0 0 "[ ]" 1
466 1 27 SER QB 1 31 ASN H . . 6.300 5.161 5.161 5.161 . 0 0 "[ ]" 1
467 1 27 SER O 1 31 ASN H . . 2.400 1.908 1.908 1.908 . 0 0 "[ ]" 1
468 1 27 SER O 1 31 ASN N . 2.700 3.200 2.690 2.690 2.690 0.010 1 0 "[ ]" 1
469 1 28 GLN H 1 28 GLN HB2 . . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 1
470 1 28 GLN H 1 29 ILE H . . 2.900 2.685 2.685 2.685 . 0 0 "[ ]" 1
471 1 28 GLN H 1 30 THR H . . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
472 1 28 GLN H 1 31 ASN H . . 5.500 4.407 4.407 4.407 . 0 0 "[ ]" 1
473 1 28 GLN HA 1 31 ASN H . . 5.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
474 1 28 GLN HA 1 31 ASN QB . . 4.100 2.436 2.436 2.436 . 0 0 "[ ]" 1
475 1 28 GLN HB2 1 29 ILE H . . 5.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
476 1 28 GLN HB3 1 29 ILE H . . 5.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
477 1 28 GLN HE21 1 76 VAL H . . 5.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
478 1 28 GLN HE22 1 76 VAL H . . 3.300 2.091 2.091 2.091 . 0 0 "[ ]" 1
479 1 28 GLN HE22 1 76 VAL O . . 2.400 2.152 2.152 2.152 . 0 0 "[ ]" 1
480 1 28 GLN NE2 1 76 VAL O . 2.700 3.200 3.025 3.025 3.025 . 0 0 "[ ]" 1
481 1 29 ILE H 1 29 ILE HB . . 2.900 2.343 2.343 2.343 . 0 0 "[ ]" 1
482 1 29 ILE H 1 29 ILE HG12 . . 5.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
483 1 29 ILE H 1 29 ILE QG . . 4.140 2.164 2.164 2.164 . 0 0 "[ ]" 1
484 1 29 ILE H 1 29 ILE HG13 . . 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 1
485 1 29 ILE H 1 30 THR H . . 2.900 2.681 2.681 2.681 . 0 0 "[ ]" 1
486 1 29 ILE H 1 31 ASN H . . 5.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
487 1 29 ILE H 1 75 LEU MD1 . . 6.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
488 1 29 ILE HA 1 29 ILE MD . . 3.700 2.152 2.152 2.152 . 0 0 "[ ]" 1
489 1 29 ILE HA 1 31 ASN H . . 5.500 4.154 4.154 4.154 . 0 0 "[ ]" 1
490 1 29 ILE HA 1 32 LEU H . . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
491 1 29 ILE HA 1 32 LEU HB2 . . 5.000 2.002 2.002 2.002 . 0 0 "[ ]" 1
492 1 29 ILE HA 1 32 LEU HB3 . . 5.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
493 1 29 ILE HA 1 32 LEU MD1 . . 6.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
494 1 29 ILE HA 1 32 LEU MD2 . . 3.700 2.033 2.033 2.033 . 0 0 "[ ]" 1
495 1 29 ILE HA 1 32 LEU HG . . 5.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
496 1 29 ILE HA 1 75 LEU MD1 . . 6.500 4.343 4.343 4.343 . 0 0 "[ ]" 1
497 1 29 ILE HB 1 30 THR H . . 5.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
498 1 29 ILE MD 1 32 LEU MD1 . . 7.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
499 1 29 ILE MD 1 32 LEU MD2 . . 4.700 2.052 2.052 2.052 . 0 0 "[ ]" 1
500 1 29 ILE MD 1 38 LYS QE . . 5.480 3.850 3.850 3.850 . 0 0 "[ ]" 1
501 1 29 ILE MD 1 41 ILE MD . . 7.500 4.974 4.974 4.974 . 0 0 "[ ]" 1
502 1 29 ILE MD 1 57 ILE MD . . 4.700 3.025 3.025 3.025 . 0 0 "[ ]" 1
503 1 29 ILE MD 1 57 ILE MG . . 5.300 2.999 2.999 2.999 . 0 0 "[ ]" 1
504 1 29 ILE MD 1 59 ILE MD . . 5.300 2.481 2.481 2.481 . 0 0 "[ ]" 1
505 1 29 ILE MD 1 59 ILE MG . . 7.500 4.809 4.809 4.809 . 0 0 "[ ]" 1
506 1 29 ILE MD 1 75 LEU MD1 . . 4.900 1.936 1.936 1.936 . 0 0 "[ ]" 1
507 1 29 ILE MD 1 75 LEU MD2 . . 5.300 3.212 3.212 3.212 . 0 0 "[ ]" 1
508 1 29 ILE MG 1 30 THR H . . 4.300 3.407 3.407 3.407 . 0 0 "[ ]" 1
509 1 29 ILE MG 1 30 THR HA . . 6.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
510 1 29 ILE MG 1 30 THR HB . . 7.000 5.103 5.103 5.103 . 0 0 "[ ]" 1
511 1 29 ILE MG 1 30 THR MG . . 7.500 4.834 4.834 4.834 . 0 0 "[ ]" 1
512 1 29 ILE MG 1 32 LEU MD1 . . 7.500 5.017 5.017 5.017 . 0 0 "[ ]" 1
513 1 29 ILE MG 1 32 LEU MD2 . . 5.300 3.341 3.341 3.341 . 0 0 "[ ]" 1
514 1 29 ILE MG 1 38 LYS QD . . 5.100 3.643 3.643 3.643 . 0 0 "[ ]" 1
515 1 29 ILE MG 1 38 LYS HE2 . . 4.500 1.959 1.959 1.959 . 0 0 "[ ]" 1
516 1 29 ILE MG 1 38 LYS HE3 . . 4.500 2.595 2.595 2.595 . 0 0 "[ ]" 1
517 1 29 ILE MG 1 41 ILE MD . . 4.700 2.438 2.438 2.438 . 0 0 "[ ]" 1
518 1 29 ILE MG 1 59 ILE HB . . 6.500 4.242 4.242 4.242 . 0 0 "[ ]" 1
519 1 29 ILE MG 1 59 ILE MD . . 4.700 1.783 1.783 1.783 . 0 0 "[ ]" 1
520 1 29 ILE MG 1 59 ILE HG12 . . 6.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
521 1 29 ILE MG 1 59 ILE HG13 . . 6.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
522 1 29 ILE MG 1 59 ILE MG . . 7.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
523 1 29 ILE O 1 32 LEU H . . 2.400 2.111 2.111 2.111 . 0 0 "[ ]" 1
524 1 29 ILE O 1 32 LEU N . 2.700 3.200 2.917 2.917 2.917 . 0 0 "[ ]" 1
525 1 30 THR H 1 31 ASN H . . 2.900 2.617 2.617 2.617 . 0 0 "[ ]" 1
526 1 30 THR H 1 32 LEU H . . 5.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
527 1 30 THR H 1 41 ILE MD . . 7.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
528 1 30 THR HA 1 32 LEU H . . 5.500 3.818 3.818 3.818 . 0 0 "[ ]" 1
529 1 30 THR HA 1 38 LYS QD . . 4.100 3.182 3.182 3.182 . 0 0 "[ ]" 1
530 1 30 THR HA 1 38 LYS HE2 . . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 1
531 1 30 THR HA 1 38 LYS QE . . 4.140 3.205 3.205 3.205 . 0 0 "[ ]" 1
532 1 30 THR HA 1 38 LYS HE3 . . 5.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
533 1 30 THR HA 1 41 ILE MD . . 4.300 2.853 2.853 2.853 . 0 0 "[ ]" 1
534 1 30 THR HB 1 31 ASN H . . 2.900 2.946 2.946 2.946 0.046 1 0 "[ ]" 1
535 1 30 THR HB 1 31 ASN HD21 . . 5.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
536 1 30 THR HB 1 31 ASN HD22 . . 5.000 3.441 3.441 3.441 . 0 0 "[ ]" 1
537 1 30 THR HB 1 38 LYS QD . . 6.800 5.970 5.970 5.970 . 0 0 "[ ]" 1
538 1 30 THR HB 1 38 LYS QE . . 6.380 5.704 5.704 5.704 . 0 0 "[ ]" 1
539 1 30 THR HB 1 41 ILE MD . . 6.500 4.542 4.542 4.542 . 0 0 "[ ]" 1
540 1 30 THR MG 1 31 ASN H . . 6.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
541 1 30 THR MG 1 38 LYS QD . . 7.800 4.198 4.198 4.198 . 0 0 "[ ]" 1
542 1 30 THR MG 1 41 ILE MD . . 4.700 3.178 3.178 3.178 . 0 0 "[ ]" 1
543 1 30 THR MG 1 41 ILE MG . . 7.500 4.717 4.717 4.717 . 0 0 "[ ]" 1
544 1 30 THR MG 1 110 TRP HD1 . . 4.800 3.691 3.691 3.691 . 0 0 "[ ]" 1
545 1 30 THR MG 1 110 TRP HE1 . . 4.300 2.836 2.836 2.836 . 0 0 "[ ]" 1
546 1 30 THR MG 1 110 TRP HZ2 . . 4.800 3.283 3.283 3.283 . 0 0 "[ ]" 1
547 1 30 THR MG 1 110 TRP HZ3 . . 6.500 4.944 4.944 4.944 . 0 0 "[ ]" 1
548 1 31 ASN H 1 31 ASN HA . . 2.900 2.856 2.856 2.856 . 0 0 "[ ]" 1
549 1 31 ASN H 1 31 ASN QB . . 3.680 2.275 2.275 2.275 . 0 0 "[ ]" 1
550 1 31 ASN H 1 31 ASN HD21 . . 5.000 2.166 2.166 2.166 . 0 0 "[ ]" 1
551 1 31 ASN H 1 31 ASN HD22 . . 5.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
552 1 31 ASN H 1 32 LEU H . . 2.900 2.316 2.316 2.316 . 0 0 "[ ]" 1
553 1 31 ASN QB 1 32 LEU H . . 4.140 3.159 3.159 3.159 . 0 0 "[ ]" 1
554 1 31 ASN HB2 1 32 LEU H . . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
555 1 31 ASN HB3 1 32 LEU H . . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
556 1 32 LEU H 1 32 LEU HA . . 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 1
557 1 32 LEU H 1 32 LEU HB3 . . 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
558 1 32 LEU H 1 33 GLN H . . 5.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
559 1 32 LEU HA 1 33 GLN H . . 3.300 2.177 2.177 2.177 . 0 0 "[ ]" 1
560 1 32 LEU HB2 1 33 GLN H . . 5.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
561 1 32 LEU HB2 1 38 LYS HD2 . . 5.500 4.752 4.752 4.752 . 0 0 "[ ]" 1
562 1 32 LEU HB2 1 38 LYS QD . . 5.180 4.455 4.455 4.455 . 0 0 "[ ]" 1
563 1 32 LEU HB2 1 38 LYS HD3 . . 5.500 5.384 5.384 5.384 . 0 0 "[ ]" 1
564 1 32 LEU HB2 1 72 PHE HZ . . 5.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
565 1 32 LEU HB3 1 33 GLN H . . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
566 1 32 LEU HB3 1 38 LYS HE2 . . 5.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
567 1 32 LEU HB3 1 38 LYS QE . . 5.180 3.760 3.760 3.760 . 0 0 "[ ]" 1
568 1 32 LEU HB3 1 38 LYS HE3 . . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
569 1 32 LEU HB3 1 72 PHE QE . . 7.700 2.702 2.702 2.702 . 0 0 "[ ]" 1
570 1 32 LEU HB3 1 72 PHE HZ . . 5.500 2.209 2.209 2.209 . 0 0 "[ ]" 1
571 1 32 LEU MD1 1 33 GLN H . . 4.300 3.348 3.348 3.348 . 0 0 "[ ]" 1
572 1 32 LEU MD1 1 72 PHE QD . . 8.700 3.801 3.801 3.801 . 0 0 "[ ]" 1
573 1 32 LEU MD1 1 72 PHE QE . . 8.200 3.255 3.255 3.255 . 0 0 "[ ]" 1
574 1 32 LEU MD1 1 72 PHE HZ . . 6.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
575 1 32 LEU MD1 1 73 PHE HA . . 6.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
576 1 32 LEU MD2 1 33 GLN H . . 7.000 5.138 5.138 5.138 . 0 0 "[ ]" 1
577 1 32 LEU MD2 1 72 PHE QD . . 8.700 3.819 3.819 3.819 . 0 0 "[ ]" 1
578 1 32 LEU MD2 1 72 PHE QE . . 8.200 3.672 3.672 3.672 . 0 0 "[ ]" 1
579 1 32 LEU MD2 1 72 PHE HZ . . 6.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
580 1 32 LEU MD2 1 73 PHE HA . . 3.700 2.078 2.078 2.078 . 0 0 "[ ]" 1
581 1 32 LEU MD2 1 73 PHE QD . . 6.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
582 1 32 LEU MD2 1 73 PHE QE . . 5.900 3.784 3.784 3.784 . 0 0 "[ ]" 1
583 1 33 GLN H 1 34 THR H . . 5.500 4.627 4.627 4.627 . 0 0 "[ ]" 1
584 1 33 GLN HA 1 34 THR H . . 2.900 2.483 2.483 2.483 . 0 0 "[ ]" 1
585 1 34 THR H 1 36 THR H . . 6.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
586 1 34 THR HA 1 34 THR HB . . 2.900 2.350 2.350 2.350 . 0 0 "[ ]" 1
587 1 34 THR HA 1 35 PRO HD2 . . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 1
588 1 34 THR HA 1 35 PRO HD3 . . 3.300 2.006 2.006 2.006 . 0 0 "[ ]" 1
589 1 34 THR HA 1 35 PRO HG2 . . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
590 1 34 THR HA 1 35 PRO HG3 . . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
591 1 34 THR HA 1 36 THR H . . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
592 1 34 THR HA 1 65 TYR QD . . 7.700 4.986 4.986 4.986 . 0 0 "[ ]" 1
593 1 34 THR HA 1 65 TYR QE . . 5.500 4.017 4.017 4.017 . 0 0 "[ ]" 1
594 1 34 THR HA 1 72 PHE HZ . . 6.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
595 1 34 THR HB 1 35 PRO HD2 . . 5.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
596 1 34 THR HB 1 35 PRO QD . . 4.140 2.953 2.953 2.953 . 0 0 "[ ]" 1
597 1 34 THR HB 1 35 PRO HD3 . . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
598 1 34 THR HB 1 36 THR H . . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
599 1 34 THR HB 1 61 PHE QE . . 7.700 2.585 2.585 2.585 . 0 0 "[ ]" 1
600 1 34 THR HB 1 65 TYR QD . . 7.700 4.533 4.533 4.533 . 0 0 "[ ]" 1
601 1 34 THR HB 1 65 TYR QE . . 5.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
602 1 34 THR MG 1 35 PRO HD2 . . 6.500 3.859 3.859 3.859 . 0 0 "[ ]" 1
603 1 34 THR MG 1 35 PRO QD . . 6.190 3.629 3.629 3.629 . 0 0 "[ ]" 1
604 1 34 THR MG 1 35 PRO HD3 . . 6.500 4.416 4.416 4.416 . 0 0 "[ ]" 1
605 1 34 THR MG 1 36 THR H . . 6.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
606 1 34 THR MG 1 37 ASN HA . . 6.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
607 1 34 THR MG 1 37 ASN HB2 . . 6.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
608 1 34 THR MG 1 37 ASN HB3 . . 6.000 4.959 4.959 4.959 . 0 0 "[ ]" 1
609 1 34 THR MG 1 38 LYS HE2 . . 6.500 4.605 4.605 4.605 . 0 0 "[ ]" 1
610 1 34 THR MG 1 38 LYS QE . . 6.190 4.202 4.202 4.202 . 0 0 "[ ]" 1
611 1 34 THR MG 1 38 LYS HE3 . . 6.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
612 1 34 THR MG 1 61 PHE QD . . 8.200 2.422 2.422 2.422 . 0 0 "[ ]" 1
613 1 34 THR MG 1 61 PHE QE . . 5.900 1.972 1.972 1.972 . 0 0 "[ ]" 1
614 1 34 THR MG 1 61 PHE HZ . . 6.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
615 1 34 THR MG 1 65 TYR HB2 . . 6.000 4.896 4.896 4.896 . 0 0 "[ ]" 1
616 1 34 THR MG 1 65 TYR QD . . 8.700 4.931 4.931 4.931 . 0 0 "[ ]" 1
617 1 34 THR MG 1 65 TYR QE . . 8.700 5.106 5.106 5.106 . 0 0 "[ ]" 1
618 1 34 THR MG 1 72 PHE QD . . 8.700 5.955 5.955 5.955 . 0 0 "[ ]" 1
619 1 34 THR MG 1 72 PHE QE . . 6.500 4.293 4.293 4.293 . 0 0 "[ ]" 1
620 1 34 THR MG 1 72 PHE HZ . . 4.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
621 1 34 THR OG1 1 36 THR H . . 2.400 1.886 1.886 1.886 . 0 0 "[ ]" 1
622 1 34 THR OG1 1 36 THR N . 2.700 3.200 2.882 2.882 2.882 . 0 0 "[ ]" 1
623 1 35 PRO HA 1 36 THR H . . 3.300 3.290 3.290 3.290 . 0 0 "[ ]" 1
624 1 35 PRO QD 1 36 THR H . . 4.180 2.554 2.554 2.554 . 0 0 "[ ]" 1
625 1 35 PRO QD 1 65 TYR QD . . 6.380 2.505 2.505 2.505 . 0 0 "[ ]" 1
626 1 35 PRO HD2 1 65 TYR QE . . 4.900 2.756 2.756 2.756 . 0 0 "[ ]" 1
627 1 35 PRO HD3 1 65 TYR QE . . 4.900 2.614 2.614 2.614 . 0 0 "[ ]" 1
628 1 35 PRO QG 1 36 THR H . . 4.180 3.576 3.576 3.576 . 0 0 "[ ]" 1
629 1 35 PRO QG 1 65 TYR QD . . 7.400 2.343 2.343 2.343 . 0 0 "[ ]" 1
630 1 35 PRO QG 1 65 TYR QE . . 6.380 2.714 2.714 2.714 . 0 0 "[ ]" 1
631 1 35 PRO HG2 1 65 TYR QD . . 7.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
632 1 35 PRO HG3 1 65 TYR QD . . 7.700 3.539 3.539 3.539 . 0 0 "[ ]" 1
633 1 36 THR H 1 36 THR HA . . 2.900 2.948 2.948 2.948 0.048 1 0 "[ ]" 1
634 1 36 THR H 1 36 THR HB . . 3.300 3.215 3.215 3.215 . 0 0 "[ ]" 1
635 1 36 THR H 1 36 THR MG . . 3.700 2.004 2.004 2.004 . 0 0 "[ ]" 1
636 1 36 THR H 1 37 ASN H . . 3.300 3.356 3.356 3.356 0.056 1 0 "[ ]" 1
637 1 36 THR HA 1 36 THR HB . . 2.900 2.392 2.392 2.392 . 0 0 "[ ]" 1
638 1 36 THR HB 1 37 ASN H . . 6.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
639 1 36 THR HB 1 61 PHE QD . . 8.200 4.851 4.851 4.851 . 0 0 "[ ]" 1
640 1 36 THR MG 1 37 ASN H . . 7.000 1.781 1.781 1.781 . 0 0 "[ ]" 1
641 1 36 THR MG 1 61 PHE HA . . 6.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
642 1 36 THR MG 1 61 PHE HB2 . . 6.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
643 1 36 THR MG 1 61 PHE HB3 . . 4.300 1.959 1.959 1.959 . 0 0 "[ ]" 1
644 1 36 THR MG 1 61 PHE QD . . 5.900 2.159 2.159 2.159 . 0 0 "[ ]" 1
645 1 36 THR MG 1 61 PHE QE . . 8.200 3.420 3.420 3.420 . 0 0 "[ ]" 1
646 1 36 THR MG 1 62 GLU H . . 6.000 4.101 4.101 4.101 . 0 0 "[ ]" 1
647 1 36 THR MG 1 63 GLY H . . 4.300 3.380 3.380 3.380 . 0 0 "[ ]" 1
648 1 36 THR MG 1 65 TYR HA . . 4.300 2.807 2.807 2.807 . 0 0 "[ ]" 1
649 1 36 THR MG 1 65 TYR HB2 . . 4.300 2.010 2.010 2.010 . 0 0 "[ ]" 1
650 1 36 THR MG 1 65 TYR HB3 . . 6.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
651 1 36 THR MG 1 65 TYR QD . . 6.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
652 1 36 THR MG 1 65 TYR QE . . 8.200 4.272 4.272 4.272 . 0 0 "[ ]" 1
653 1 36 THR OG1 1 63 GLY H . . 2.400 2.385 2.385 2.385 . 0 0 "[ ]" 1
654 1 36 THR OG1 1 63 GLY N . 2.700 3.200 3.255 3.255 3.255 0.055 1 0 "[ ]" 1
655 1 37 ASN H 1 37 ASN HB3 . . 3.300 3.042 3.042 3.042 . 0 0 "[ ]" 1
656 1 37 ASN H 1 37 ASN HD21 . . 5.500 4.134 4.134 4.134 . 0 0 "[ ]" 1
657 1 37 ASN H 1 37 ASN HD22 . . 5.500 5.596 5.596 5.596 0.096 1 0 "[ ]" 1
658 1 37 ASN HA 1 38 LYS H . . 2.900 2.313 2.313 2.313 . 0 0 "[ ]" 1
659 1 37 ASN HA 1 62 GLU HB2 . . 5.500 5.536 5.536 5.536 0.036 1 0 "[ ]" 1
660 1 37 ASN HB2 1 38 LYS H . . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
661 1 37 ASN HB2 1 62 GLU HB2 . . 5.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
662 1 37 ASN HB2 1 62 GLU HB3 . . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1
663 1 37 ASN HB2 1 62 GLU QG . . 6.300 5.566 5.566 5.566 . 0 0 "[ ]" 1
664 1 37 ASN HB3 1 38 LYS H . . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
665 1 37 ASN HB3 1 62 GLU HB2 . . 5.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
666 1 37 ASN HB3 1 62 GLU HB3 . . 3.300 2.694 2.694 2.694 . 0 0 "[ ]" 1
667 1 37 ASN HB3 1 62 GLU QG . . 6.300 4.326 4.326 4.326 . 0 0 "[ ]" 1
668 1 37 ASN HD21 1 62 GLU H . . 5.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
669 1 37 ASN HD22 1 62 GLU H . . 5.000 4.377 4.377 4.377 . 0 0 "[ ]" 1
670 1 37 ASN O 1 62 GLU H . . 2.400 2.123 2.123 2.123 . 0 0 "[ ]" 1
671 1 37 ASN O 1 62 GLU N . 2.700 3.200 2.992 2.992 2.992 . 0 0 "[ ]" 1
672 1 38 LYS H 1 38 LYS HB2 . . 3.300 2.230 2.230 2.230 . 0 0 "[ ]" 1
673 1 38 LYS HA 1 39 LEU H . . 2.900 2.198 2.198 2.198 . 0 0 "[ ]" 1
674 1 38 LYS HA 1 40 PHE H . . 5.000 4.971 4.971 4.971 . 0 0 "[ ]" 1
675 1 38 LYS HA 1 61 PHE HA . . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
676 1 38 LYS HA 1 61 PHE QD . . 5.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
677 1 38 LYS HA 1 62 GLU H . . 5.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
678 1 38 LYS HB2 1 39 LEU H . . 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
679 1 38 LYS HB3 1 39 LEU H . . 5.500 3.401 3.401 3.401 . 0 0 "[ ]" 1
680 1 38 LYS QD 1 41 ILE MD . . 5.100 2.803 2.803 2.803 . 0 0 "[ ]" 1
681 1 38 LYS QD 1 59 ILE MD . . 7.300 4.664 4.664 4.664 . 0 0 "[ ]" 1
682 1 38 LYS QD 1 59 ILE MG . . 5.100 3.653 3.653 3.653 . 0 0 "[ ]" 1
683 1 38 LYS HE2 1 61 PHE QE . . 7.700 4.416 4.416 4.416 . 0 0 "[ ]" 1
684 1 38 LYS HE3 1 61 PHE QE . . 7.700 4.359 4.359 4.359 . 0 0 "[ ]" 1
685 1 38 LYS QG 1 39 LEU H . . 5.180 3.763 3.763 3.763 . 0 0 "[ ]" 1
686 1 38 LYS HG2 1 39 LEU H . . 5.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
687 1 38 LYS HG3 1 39 LEU H . . 5.500 4.702 4.702 4.702 . 0 0 "[ ]" 1
688 1 39 LEU H 1 39 LEU HG . . 5.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
689 1 39 LEU H 1 40 PHE H . . 2.900 2.839 2.839 2.839 . 0 0 "[ ]" 1
690 1 39 LEU H 1 60 GLN O . . 2.400 2.191 2.191 2.191 . 0 0 "[ ]" 1
691 1 39 LEU H 1 61 PHE HA . . 5.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
692 1 39 LEU H 1 61 PHE QD . . 7.700 4.595 4.595 4.595 . 0 0 "[ ]" 1
693 1 39 LEU H 1 62 GLU H . . 5.500 4.140 4.140 4.140 . 0 0 "[ ]" 1
694 1 39 LEU HA 1 62 GLU H . . 6.000 5.226 5.226 5.226 . 0 0 "[ ]" 1
695 1 39 LEU HA 1 114 GLN HE21 . . 5.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
696 1 39 LEU QB 1 114 GLN HE21 . . 4.100 3.328 3.328 3.328 . 0 0 "[ ]" 1
697 1 39 LEU QB 1 114 GLN HE22 . . 5.800 4.178 4.178 4.178 . 0 0 "[ ]" 1
698 1 39 LEU MD1 1 60 GLN HE22 . . 6.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
699 1 39 LEU MD1 1 62 GLU H . . 6.500 3.184 3.184 3.184 . 0 0 "[ ]" 1
700 1 39 LEU MD1 1 62 GLU HA . . 4.300 3.274 3.274 3.274 . 0 0 "[ ]" 1
701 1 39 LEU MD1 1 62 GLU HB2 . . 6.500 2.040 2.040 2.040 . 0 0 "[ ]" 1
702 1 39 LEU MD1 1 62 GLU HB3 . . 6.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
703 1 39 LEU MD1 1 62 GLU HG2 . . 6.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
704 1 39 LEU MD1 1 62 GLU HG3 . . 6.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
705 1 39 LEU MD1 1 114 GLN QG . . 6.800 4.313 4.313 4.313 . 0 0 "[ ]" 1
706 1 39 LEU MD2 1 60 GLN HE21 . . 4.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
707 1 39 LEU MD2 1 60 GLN QG . . 6.800 4.123 4.123 4.123 . 0 0 "[ ]" 1
708 1 39 LEU MD2 1 62 GLU HA . . 3.700 2.561 2.561 2.561 . 0 0 "[ ]" 1
709 1 39 LEU MD2 1 62 GLU HB2 . . 7.000 3.204 3.204 3.204 . 0 0 "[ ]" 1
710 1 39 LEU MD2 1 62 GLU HB3 . . 6.500 4.394 4.394 4.394 . 0 0 "[ ]" 1
711 1 39 LEU MD2 1 62 GLU HG2 . . 4.300 3.113 3.113 3.113 . 0 0 "[ ]" 1
712 1 39 LEU MD2 1 62 GLU HG3 . . 4.300 2.876 2.876 2.876 . 0 0 "[ ]" 1
713 1 39 LEU MD2 1 113 PHE QE . . 8.200 5.799 5.799 5.799 . 0 0 "[ ]" 1
714 1 39 LEU MD2 1 114 GLN HB2 . . 7.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
715 1 39 LEU MD2 1 114 GLN QB . . 6.700 3.736 3.736 3.736 . 0 0 "[ ]" 1
716 1 39 LEU MD2 1 114 GLN HB3 . . 7.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
717 1 39 LEU MD2 1 114 GLN HE21 . . 4.300 2.441 2.441 2.441 . 0 0 "[ ]" 1
718 1 39 LEU MD2 1 114 GLN HE22 . . 4.300 3.030 3.030 3.030 . 0 0 "[ ]" 1
719 1 39 LEU MD2 1 114 GLN QG . . 4.500 1.950 1.950 1.950 . 0 0 "[ ]" 1
720 1 39 LEU HG 1 40 PHE H . . 5.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
721 1 39 LEU N 1 60 GLN O . 2.700 3.200 3.087 3.087 3.087 . 0 0 "[ ]" 1
722 1 40 PHE H 1 40 PHE HB2 . . 3.300 2.565 2.565 2.565 . 0 0 "[ ]" 1
723 1 40 PHE H 1 40 PHE HB3 . . 3.300 2.462 2.462 2.462 . 0 0 "[ ]" 1
724 1 40 PHE H 1 60 GLN H . . 5.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
725 1 40 PHE H 1 60 GLN QG . . 4.100 1.905 1.905 1.905 . 0 0 "[ ]" 1
726 1 40 PHE H 1 61 PHE HA . . 5.500 4.755 4.755 4.755 . 0 0 "[ ]" 1
727 1 40 PHE HA 1 41 ILE H . . 2.900 2.369 2.369 2.369 . 0 0 "[ ]" 1
728 1 40 PHE HA 1 110 TRP HE3 . . 3.300 3.299 3.299 3.299 . 0 0 "[ ]" 1
729 1 40 PHE HA 1 110 TRP HZ3 . . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
730 1 40 PHE HA 1 111 GLY HA2 . . 5.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
731 1 40 PHE HA 1 111 GLY HA3 . . 5.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
732 1 40 PHE HA 1 112 THR H . . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
733 1 40 PHE HB2 1 41 ILE H . . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
734 1 40 PHE HB3 1 41 ILE H . . 3.800 3.774 3.774 3.774 . 0 0 "[ ]" 1
735 1 40 PHE QD 1 58 LEU MD1 . . 8.200 3.192 3.192 3.192 . 0 0 "[ ]" 1
736 1 40 PHE QD 1 59 ILE MG . . 8.700 5.314 5.314 5.314 . 0 0 "[ ]" 1
737 1 40 PHE QD 1 101 ILE MD . . 6.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
738 1 40 PHE QD 1 101 ILE MG . . 8.200 3.439 3.439 3.439 . 0 0 "[ ]" 1
739 1 40 PHE QD 1 109 GLU HA . . 7.700 5.881 5.881 5.881 . 0 0 "[ ]" 1
740 1 40 PHE QD 1 112 THR H . . 5.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
741 1 40 PHE QD 1 112 THR HA . . 5.500 2.033 2.033 2.033 . 0 0 "[ ]" 1
742 1 40 PHE QD 1 113 PHE QD . . 9.900 1.991 1.991 1.991 . 0 0 "[ ]" 1
743 1 40 PHE QD 1 113 PHE QE . . 9.900 3.670 3.670 3.670 . 0 0 "[ ]" 1
744 1 40 PHE QD 1 114 GLN H . . 7.200 5.480 5.480 5.480 . 0 0 "[ ]" 1
745 1 40 PHE QE 1 42 LYS HA . . 7.700 3.896 3.896 3.896 . 0 0 "[ ]" 1
746 1 40 PHE QE 1 58 LEU MD1 . . 6.500 3.805 3.805 3.805 . 0 0 "[ ]" 1
747 1 40 PHE QE 1 101 ILE MG . . 8.700 2.019 2.019 2.019 . 0 0 "[ ]" 1
748 1 40 PHE QE 1 109 GLU QB . . 6.300 4.010 4.010 4.010 . 0 0 "[ ]" 1
749 1 40 PHE QE 1 109 GLU QG . . 8.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
750 1 40 PHE QE 1 113 PHE QD . . 7.700 3.839 3.839 3.839 . 0 0 "[ ]" 1
751 1 40 PHE HZ 1 109 GLU QB . . 5.800 4.045 4.045 4.045 . 0 0 "[ ]" 1
752 1 40 PHE HZ 1 109 GLU QG . . 4.100 2.090 2.090 2.090 . 0 0 "[ ]" 1
753 1 40 PHE O 1 60 GLN H . . 2.400 2.268 2.268 2.268 . 0 0 "[ ]" 1
754 1 40 PHE O 1 60 GLN N . 2.700 3.200 3.217 3.217 3.217 0.017 1 0 "[ ]" 1
755 1 41 ILE H 1 110 TRP H . . 3.300 3.110 3.110 3.110 . 0 0 "[ ]" 1
756 1 41 ILE H 1 110 TRP HE3 . . 5.000 3.263 3.263 3.263 . 0 0 "[ ]" 1
757 1 41 ILE H 1 110 TRP O . . 2.400 1.783 1.783 1.783 0.017 1 0 "[ ]" 1
758 1 41 ILE H 1 111 GLY HA3 . . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
759 1 41 ILE HA 1 42 LYS H . . 2.900 2.176 2.176 2.176 . 0 0 "[ ]" 1
760 1 41 ILE HA 1 59 ILE HA . . 3.300 2.475 2.475 2.475 . 0 0 "[ ]" 1
761 1 41 ILE HA 1 59 ILE MD . . 6.500 4.548 4.548 4.548 . 0 0 "[ ]" 1
762 1 41 ILE HA 1 59 ILE MG . . 7.000 3.039 3.039 3.039 . 0 0 "[ ]" 1
763 1 41 ILE HA 1 60 GLN H . . 5.500 3.914 3.914 3.914 . 0 0 "[ ]" 1
764 1 41 ILE HB 1 110 TRP QB . . 5.800 1.948 1.948 1.948 . 0 0 "[ ]" 1
765 1 41 ILE HB 1 110 TRP HE3 . . 5.000 2.793 2.793 2.793 . 0 0 "[ ]" 1
766 1 41 ILE MD 1 42 LYS H . . 6.500 5.301 5.301 5.301 . 0 0 "[ ]" 1
767 1 41 ILE MD 1 43 ILE MD . . 7.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
768 1 41 ILE MD 1 59 ILE HA . . 7.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
769 1 41 ILE MD 1 59 ILE MD . . 7.500 3.769 3.769 3.769 . 0 0 "[ ]" 1
770 1 41 ILE MD 1 59 ILE MG . . 7.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
771 1 41 ILE MD 1 110 TRP HD1 . . 6.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
772 1 41 ILE MD 1 110 TRP HE3 . . 4.300 2.891 2.891 2.891 . 0 0 "[ ]" 1
773 1 41 ILE HG12 1 59 ILE MG . . 6.000 1.891 1.891 1.891 . 0 0 "[ ]" 1
774 1 41 ILE HG13 1 59 ILE MG . . 6.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
775 1 41 ILE MG 1 42 LYS H . . 4.300 2.824 2.824 2.824 . 0 0 "[ ]" 1
776 1 41 ILE MG 1 43 ILE MD . . 4.900 2.393 2.393 2.393 . 0 0 "[ ]" 1
777 1 41 ILE MG 1 43 ILE QG . . 5.180 2.270 2.270 2.270 . 0 0 "[ ]" 1
778 1 41 ILE MG 1 59 ILE HA . . 6.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
779 1 41 ILE MG 1 59 ILE MD . . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1
780 1 41 ILE MG 1 59 ILE MG . . 5.800 3.357 3.357 3.357 . 0 0 "[ ]" 1
781 1 41 ILE N 1 110 TRP O . 2.700 3.200 2.693 2.693 2.693 0.007 1 0 "[ ]" 1
782 1 41 ILE O 1 110 TRP H . . 2.400 2.076 2.076 2.076 . 0 0 "[ ]" 1
783 1 41 ILE O 1 110 TRP N . 2.700 3.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
784 1 42 LYS H 1 42 LYS HB2 . . 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 1
785 1 42 LYS H 1 42 LYS HB3 . . 3.300 2.695 2.695 2.695 . 0 0 "[ ]" 1
786 1 42 LYS H 1 43 ILE H . . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
787 1 42 LYS H 1 58 LEU H . . 5.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
788 1 42 LYS H 1 58 LEU O . . 2.400 1.787 1.787 1.787 0.013 1 0 "[ ]" 1
789 1 42 LYS H 1 59 ILE H . . 5.500 4.803 4.803 4.803 . 0 0 "[ ]" 1
790 1 42 LYS H 1 59 ILE HA . . 5.500 3.330 3.330 3.330 . 0 0 "[ ]" 1
791 1 42 LYS HA 1 43 ILE H . . 2.900 2.187 2.187 2.187 . 0 0 "[ ]" 1
792 1 42 LYS HA 1 109 GLU HA . . 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 1
793 1 42 LYS HA 1 109 GLU QB . . 5.800 5.015 5.015 5.015 . 0 0 "[ ]" 1
794 1 42 LYS HA 1 109 GLU QG . . 5.800 3.367 3.367 3.367 . 0 0 "[ ]" 1
795 1 42 LYS HA 1 110 TRP H . . 5.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
796 1 42 LYS QB 1 100 TYR QE . . 6.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
797 1 42 LYS HB2 1 43 ILE H . . 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
798 1 42 LYS HB3 1 43 ILE H . . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
799 1 42 LYS QE 1 107 VAL HA . . 6.800 5.209 5.209 5.209 . 0 0 "[ ]" 1
800 1 42 LYS QE 1 107 VAL HB . . 4.100 3.733 3.733 3.733 . 0 0 "[ ]" 1
801 1 42 LYS QE 1 107 VAL MG1 . . 5.100 3.494 3.494 3.494 . 0 0 "[ ]" 1
802 1 42 LYS QE 1 107 VAL MG2 . . 4.500 1.723 1.723 1.723 . 0 0 "[ ]" 1
803 1 42 LYS N 1 58 LEU O . 2.700 3.200 2.775 2.775 2.775 . 0 0 "[ ]" 1
804 1 42 LYS O 1 58 LEU H . . 2.400 1.766 1.766 1.766 0.034 1 0 "[ ]" 1
805 1 42 LYS O 1 58 LEU N . 2.700 3.200 2.708 2.708 2.708 . 0 0 "[ ]" 1
806 1 43 ILE H 1 107 VAL HA . . 5.500 5.518 5.518 5.518 0.018 1 0 "[ ]" 1
807 1 43 ILE H 1 108 LEU H . . 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
808 1 43 ILE H 1 108 LEU O . . 2.400 2.217 2.217 2.217 . 0 0 "[ ]" 1
809 1 43 ILE H 1 109 GLU HA . . 5.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
810 1 43 ILE H 1 110 TRP H . . 5.500 5.004 5.004 5.004 . 0 0 "[ ]" 1
811 1 43 ILE HA 1 44 CYS H . . 2.900 2.177 2.177 2.177 . 0 0 "[ ]" 1
812 1 43 ILE HA 1 57 ILE HA . . 3.300 2.385 2.385 2.385 . 0 0 "[ ]" 1
813 1 43 ILE HA 1 57 ILE MD . . 6.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
814 1 43 ILE HA 1 57 ILE HG12 . . 5.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
815 1 43 ILE HA 1 57 ILE HG13 . . 5.500 3.878 3.878 3.878 . 0 0 "[ ]" 1
816 1 43 ILE HA 1 57 ILE MG . . 4.800 3.553 3.553 3.553 . 0 0 "[ ]" 1
817 1 43 ILE HA 1 58 LEU H . . 5.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
818 1 43 ILE HB 1 44 CYS H . . 6.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
819 1 43 ILE MD 1 55 LEU QD . . 8.200 3.887 3.887 3.887 . 0 0 "[ ]" 1
820 1 43 ILE MD 1 57 ILE MD . . 5.300 2.525 2.525 2.525 . 0 0 "[ ]" 1
821 1 43 ILE MD 1 57 ILE MG . . 5.300 3.507 3.507 3.507 . 0 0 "[ ]" 1
822 1 43 ILE MD 1 108 LEU MD1 . . 5.300 3.253 3.253 3.253 . 0 0 "[ ]" 1
823 1 43 ILE QG 1 57 ILE MD . . 5.150 2.402 2.402 2.402 . 0 0 "[ ]" 1
824 1 43 ILE HG12 1 57 ILE MD . . 6.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
825 1 43 ILE HG12 1 57 ILE MG . . 6.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
826 1 43 ILE HG13 1 57 ILE MD . . 6.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
827 1 43 ILE HG13 1 57 ILE MG . . 6.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
828 1 43 ILE MG 1 44 CYS H . . 4.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
829 1 43 ILE MG 1 55 LEU QD . . 5.900 2.039 2.039 2.039 . 0 0 "[ ]" 1
830 1 43 ILE MG 1 57 ILE MD . . 7.500 2.788 2.788 2.788 . 0 0 "[ ]" 1
831 1 43 ILE MG 1 57 ILE MG . . 7.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
832 1 43 ILE N 1 108 LEU O . 2.700 3.200 3.208 3.208 3.208 0.008 1 0 "[ ]" 1
833 1 43 ILE O 1 108 LEU H . . 2.400 2.138 2.138 2.138 . 0 0 "[ ]" 1
834 1 43 ILE O 1 108 LEU N . 2.700 3.200 3.054 3.054 3.054 . 0 0 "[ ]" 1
835 1 44 CYS H 1 45 ARG H . . 5.500 4.394 4.394 4.394 . 0 0 "[ ]" 1
836 1 44 CYS H 1 56 HIS H . . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
837 1 44 CYS H 1 56 HIS O . . 2.400 2.062 2.062 2.062 . 0 0 "[ ]" 1
838 1 44 CYS H 1 57 ILE HA . . 5.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
839 1 44 CYS HA 1 45 ARG H . . 2.900 2.286 2.286 2.286 . 0 0 "[ ]" 1
840 1 44 CYS HA 1 107 VAL HA . . 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 1
841 1 44 CYS HA 1 107 VAL MG1 . . 6.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
842 1 44 CYS HA 1 107 VAL MG2 . . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 1
843 1 44 CYS HA 1 108 LEU H . . 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
844 1 44 CYS QB 1 45 ARG H . . 5.180 3.671 3.671 3.671 . 0 0 "[ ]" 1
845 1 44 CYS QB 1 56 HIS HD2 . . 5.880 4.955 4.955 4.955 . 0 0 "[ ]" 1
846 1 44 CYS QB 1 107 VAL MG2 . . 6.190 3.347 3.347 3.347 . 0 0 "[ ]" 1
847 1 44 CYS HB2 1 45 ARG H . . 5.500 4.281 4.281 4.281 . 0 0 "[ ]" 1
848 1 44 CYS HB2 1 100 TYR QE . . 7.200 3.647 3.647 3.647 . 0 0 "[ ]" 1
849 1 44 CYS HB2 1 107 VAL MG2 . . 6.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
850 1 44 CYS HB3 1 45 ARG H . . 5.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
851 1 44 CYS HB3 1 100 TYR QE . . 7.200 3.042 3.042 3.042 . 0 0 "[ ]" 1
852 1 44 CYS HB3 1 107 VAL MG2 . . 6.500 4.897 4.897 4.897 . 0 0 "[ ]" 1
853 1 44 CYS N 1 56 HIS O . 2.700 3.200 2.965 2.965 2.965 . 0 0 "[ ]" 1
854 1 44 CYS O 1 56 HIS H . . 2.400 1.898 1.898 1.898 . 0 0 "[ ]" 1
855 1 44 CYS O 1 56 HIS N . 2.700 3.200 2.815 2.815 2.815 . 0 0 "[ ]" 1
856 1 45 ARG H 1 45 ARG HB3 . . 3.300 2.662 2.662 2.662 . 0 0 "[ ]" 1
857 1 45 ARG H 1 107 VAL HA . . 5.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
858 1 45 ARG HA 1 46 GLU H . . 2.900 2.333 2.333 2.333 . 0 0 "[ ]" 1
859 1 45 ARG HA 1 55 LEU HA . . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
860 1 45 ARG HA 1 55 LEU MD1 . . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 1
861 1 45 ARG HA 1 55 LEU MD2 . . 4.300 1.976 1.976 1.976 . 0 0 "[ ]" 1
862 1 45 ARG HB2 1 46 GLU H . . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
863 1 45 ARG HB3 1 46 GLU H . . 3.800 3.818 3.818 3.818 0.018 1 0 "[ ]" 1
864 1 46 GLU H 1 46 GLU HB3 . . 3.300 2.783 2.783 2.783 . 0 0 "[ ]" 1
865 1 46 GLU H 1 47 LEU H . . 5.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
866 1 46 GLU H 1 54 HIS H . . 5.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
867 1 46 GLU H 1 54 HIS O . . 2.400 2.114 2.114 2.114 . 0 0 "[ ]" 1
868 1 46 GLU H 1 55 LEU HA . . 5.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
869 1 46 GLU HA 1 47 LEU H . . 2.900 2.255 2.255 2.255 . 0 0 "[ ]" 1
870 1 46 GLU HB2 1 47 LEU H . . 5.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
871 1 46 GLU HB2 1 48 HIS HD2 . . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
872 1 46 GLU HB2 1 54 HIS HE1 . . 5.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
873 1 46 GLU HB2 1 56 HIS HD2 . . 5.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
874 1 46 GLU HB3 1 47 LEU H . . 5.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
875 1 46 GLU HB3 1 56 HIS HD2 . . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
876 1 46 GLU QG 1 48 HIS HD2 . . 5.800 2.604 2.604 2.604 . 0 0 "[ ]" 1
877 1 46 GLU QG 1 56 HIS HD2 . . 5.180 4.236 4.236 4.236 . 0 0 "[ ]" 1
878 1 46 GLU HG2 1 56 HIS HD2 . . 5.500 4.394 4.394 4.394 . 0 0 "[ ]" 1
879 1 46 GLU HG3 1 56 HIS HD2 . . 5.500 5.551 5.551 5.551 0.051 1 0 "[ ]" 1
880 1 46 GLU N 1 54 HIS O . 2.700 3.200 3.081 3.081 3.081 . 0 0 "[ ]" 1
881 1 46 GLU O 1 54 HIS H . . 2.400 1.995 1.995 1.995 . 0 0 "[ ]" 1
882 1 46 GLU O 1 54 HIS N . 2.700 3.200 2.754 2.754 2.754 . 0 0 "[ ]" 1
883 1 47 LEU H 1 47 LEU HB2 . . 3.300 2.259 2.259 2.259 . 0 0 "[ ]" 1
884 1 47 LEU H 1 53 PRO HA . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
885 1 47 LEU HA 1 47 LEU HB3 . . 2.900 2.624 2.624 2.624 . 0 0 "[ ]" 1
886 1 47 LEU HA 1 48 HIS H . . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 1
887 1 47 LEU HA 1 48 HIS HD2 . . 5.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
888 1 47 LEU HA 1 53 PRO HA . . 3.300 2.730 2.730 2.730 . 0 0 "[ ]" 1
889 1 47 LEU HA 1 54 HIS H . . 5.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
890 1 47 LEU QB 1 48 HIS HB2 . . 5.800 5.037 5.037 5.037 . 0 0 "[ ]" 1
891 1 47 LEU HB2 1 48 HIS H . . 5.500 4.344 4.344 4.344 . 0 0 "[ ]" 1
892 1 47 LEU HB3 1 48 HIS H . . 3.300 3.246 3.246 3.246 . 0 0 "[ ]" 1
893 1 47 LEU MD1 1 53 PRO HA . . 3.700 1.857 1.857 1.857 . 0 0 "[ ]" 1
894 1 47 LEU MD1 1 53 PRO QB . . 6.800 2.115 2.115 2.115 . 0 0 "[ ]" 1
895 1 47 LEU MD1 1 53 PRO QG . . 6.800 3.641 3.641 3.641 . 0 0 "[ ]" 1
896 1 47 LEU MD2 1 53 PRO HA . . 4.300 3.467 3.467 3.467 . 0 0 "[ ]" 1
897 1 47 LEU MD2 1 53 PRO QG . . 7.300 5.198 5.198 5.198 . 0 0 "[ ]" 1
898 1 48 HIS H 1 48 HIS HB2 . . 2.900 2.255 2.255 2.255 . 0 0 "[ ]" 1
899 1 48 HIS H 1 48 HIS HB3 . . 3.800 3.517 3.517 3.517 . 0 0 "[ ]" 1
900 1 48 HIS H 1 51 GLY HA2 . . 5.500 5.245 5.245 5.245 . 0 0 "[ ]" 1
901 1 48 HIS H 1 52 GLU H . . 5.500 3.878 3.878 3.878 . 0 0 "[ ]" 1
902 1 48 HIS H 1 52 GLU O . . 2.400 1.898 1.898 1.898 . 0 0 "[ ]" 1
903 1 48 HIS H 1 53 PRO HA . . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
904 1 48 HIS H 1 54 HIS H . . 5.500 3.184 3.184 3.184 . 0 0 "[ ]" 1
905 1 48 HIS HA 1 48 HIS HB3 . . 2.900 2.594 2.594 2.594 . 0 0 "[ ]" 1
906 1 48 HIS HD2 1 52 GLU QG . . 5.800 4.577 4.577 4.577 . 0 0 "[ ]" 1
907 1 48 HIS HE1 1 52 GLU HG2 . . 5.500 5.531 5.531 5.531 0.031 1 0 "[ ]" 1
908 1 48 HIS HE1 1 52 GLU HG3 . . 5.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
909 1 48 HIS N 1 52 GLU O . 2.700 3.200 2.856 2.856 2.856 . 0 0 "[ ]" 1
910 1 48 HIS O 1 51 GLY H . . 2.400 2.173 2.173 2.173 . 0 0 "[ ]" 1
911 1 48 HIS O 1 51 GLY N . 2.700 3.200 3.117 3.117 3.117 . 0 0 "[ ]" 1
912 1 49 GLU H 1 50 ASN H . . 3.300 2.562 2.562 2.562 . 0 0 "[ ]" 1
913 1 49 GLU HA 1 51 GLY H . . 5.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
914 1 50 ASN H 1 51 GLY H . . 5.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
915 1 50 ASN HA 1 51 GLY H . . 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 1
916 1 50 ASN QB 1 50 ASN HD21 . . 3.040 2.238 2.238 2.238 . 0 0 "[ ]" 1
917 1 51 GLY H 1 52 GLU H . . 2.900 2.452 2.452 2.452 . 0 0 "[ ]" 1
918 1 51 GLY HA3 1 52 GLU H . . 3.300 3.394 3.394 3.394 0.094 1 0 "[ ]" 1
919 1 52 GLU H 1 52 GLU QB . . 3.680 2.704 2.704 2.704 . 0 0 "[ ]" 1
920 1 52 GLU HA 1 53 PRO HD2 . . 3.300 2.481 2.481 2.481 . 0 0 "[ ]" 1
921 1 52 GLU HA 1 53 PRO HD3 . . 3.300 1.931 1.931 1.931 . 0 0 "[ ]" 1
922 1 52 GLU QB 1 53 PRO QD . . 4.080 2.541 2.541 2.541 . 0 0 "[ ]" 1
923 1 52 GLU HB2 1 53 PRO HD2 . . 5.050 2.663 2.663 2.663 . 0 0 "[ ]" 1
924 1 52 GLU HB2 1 53 PRO HD3 . . 5.050 3.607 3.607 3.607 . 0 0 "[ ]" 1
925 1 52 GLU HB3 1 53 PRO HD2 . . 5.050 3.903 3.903 3.903 . 0 0 "[ ]" 1
926 1 52 GLU HB3 1 53 PRO HD3 . . 5.050 4.230 4.230 4.230 . 0 0 "[ ]" 1
927 1 53 PRO HA 1 54 HIS H . . 2.900 2.151 2.151 2.151 . 0 0 "[ ]" 1
928 1 54 HIS H 1 55 LEU H . . 5.500 4.534 4.534 4.534 . 0 0 "[ ]" 1
929 1 54 HIS HA 1 54 HIS HD2 . . 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 1
930 1 54 HIS HA 1 55 LEU H . . 2.900 2.390 2.390 2.390 . 0 0 "[ ]" 1
931 1 54 HIS HB2 1 55 LEU H . . 3.800 3.704 3.704 3.704 . 0 0 "[ ]" 1
932 1 54 HIS HB3 1 55 LEU H . . 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
933 1 55 LEU H 1 56 HIS H . . 5.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
934 1 55 LEU HA 1 56 HIS H . . 2.900 2.219 2.219 2.219 . 0 0 "[ ]" 1
935 1 55 LEU HG 1 56 HIS H . . 5.500 4.478 4.478 4.478 . 0 0 "[ ]" 1
936 1 56 HIS HA 1 57 ILE H . . 2.900 2.284 2.284 2.284 . 0 0 "[ ]" 1
937 1 56 HIS QB 1 100 TYR QE . . 6.300 3.535 3.535 3.535 . 0 0 "[ ]" 1
938 1 56 HIS HD2 1 100 TYR QE . . 7.200 4.203 4.203 4.203 . 0 0 "[ ]" 1
939 1 57 ILE H 1 58 LEU H . . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
940 1 57 ILE HA 1 58 LEU H . . 2.900 2.272 2.272 2.272 . 0 0 "[ ]" 1
941 1 58 LEU H 1 58 LEU HB2 . . 3.300 3.252 3.252 3.252 . 0 0 "[ ]" 1
942 1 58 LEU H 1 100 TYR QE . . 7.200 3.778 3.778 3.778 . 0 0 "[ ]" 1
943 1 58 LEU HA 1 59 ILE H . . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 1
944 1 58 LEU HB2 1 59 ILE H . . 5.500 4.443 4.443 4.443 . 0 0 "[ ]" 1
945 1 58 LEU HB2 1 100 TYR QE . . 5.500 2.512 2.512 2.512 . 0 0 "[ ]" 1
946 1 58 LEU HB3 1 59 ILE H . . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
947 1 58 LEU MD1 1 97 VAL HB . . 6.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
948 1 58 LEU MD1 1 97 VAL MG1 . . 5.300 3.145 3.145 3.145 . 0 0 "[ ]" 1
949 1 58 LEU MD1 1 97 VAL MG2 . . 5.300 3.430 3.430 3.430 . 0 0 "[ ]" 1
950 1 58 LEU MD1 1 100 TYR QD . . 5.900 2.862 2.862 2.862 . 0 0 "[ ]" 1
951 1 58 LEU MD1 1 100 TYR QE . . 6.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
952 1 58 LEU MD1 1 113 PHE QD . . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
953 1 58 LEU MD1 1 113 PHE QE . . 6.100 2.630 2.630 2.630 . 0 0 "[ ]" 1
954 1 58 LEU MD1 1 113 PHE HZ . . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
955 1 58 LEU MD2 1 97 VAL MG1 . . 4.900 2.908 2.908 2.908 . 0 0 "[ ]" 1
956 1 58 LEU MD2 1 97 VAL MG2 . . 7.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
957 1 59 ILE H 1 59 ILE MD . . 4.300 3.203 3.203 3.203 . 0 0 "[ ]" 1
958 1 59 ILE HA 1 60 GLN H . . 2.900 2.322 2.322 2.322 . 0 0 "[ ]" 1
959 1 59 ILE MD 1 60 GLN H . . 6.000 5.072 5.072 5.072 . 0 0 "[ ]" 1
960 1 59 ILE MD 1 61 PHE QE . . 6.500 4.108 4.108 4.108 . 0 0 "[ ]" 1
961 1 59 ILE MD 1 61 PHE HZ . . 4.800 3.818 3.818 3.818 . 0 0 "[ ]" 1
962 1 59 ILE MD 1 73 PHE QD . . 6.700 4.189 4.189 4.189 . 0 0 "[ ]" 1
963 1 59 ILE MD 1 73 PHE QE . . 5.900 2.608 2.608 2.608 . 0 0 "[ ]" 1
964 1 59 ILE MD 1 73 PHE HZ . . 4.300 3.517 3.517 3.517 . 0 0 "[ ]" 1
965 1 59 ILE MG 1 60 GLN H . . 3.900 2.185 2.185 2.185 . 0 0 "[ ]" 1
966 1 59 ILE MG 1 61 PHE QD . . 6.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
967 1 59 ILE MG 1 61 PHE QE . . 5.900 3.260 3.260 3.260 . 0 0 "[ ]" 1
968 1 59 ILE MG 1 61 PHE HZ . . 4.300 3.449 3.449 3.449 . 0 0 "[ ]" 1
969 1 60 GLN H 1 61 PHE H . . 5.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
970 1 60 GLN HA 1 61 PHE H . . 3.300 2.204 2.204 2.204 . 0 0 "[ ]" 1
971 1 60 GLN HE21 1 114 GLN H . . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
972 1 60 GLN HE22 1 114 GLN H . . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
973 1 60 GLN OE1 1 114 GLN H . . 2.400 2.327 2.327 2.327 . 0 0 "[ ]" 1
974 1 60 GLN OE1 1 114 GLN N . 2.700 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1
975 1 61 PHE H 1 61 PHE HB2 . . 3.300 2.389 2.389 2.389 . 0 0 "[ ]" 1
976 1 61 PHE H 1 62 GLU H . . 5.500 4.609 4.609 4.609 . 0 0 "[ ]" 1
977 1 61 PHE HA 1 62 GLU H . . 2.900 2.393 2.393 2.393 . 0 0 "[ ]" 1
978 1 61 PHE HA 1 63 GLY H . . 5.500 4.166 4.166 4.166 . 0 0 "[ ]" 1
979 1 61 PHE HB2 1 62 GLU H . . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
980 1 61 PHE HB3 1 62 GLU H . . 3.300 2.743 2.743 2.743 . 0 0 "[ ]" 1
981 1 61 PHE QD 1 62 GLU H . . 7.200 4.122 4.122 4.122 . 0 0 "[ ]" 1
982 1 61 PHE QD 1 65 TYR QD . . 9.400 3.522 3.522 3.522 . 0 0 "[ ]" 1
983 1 61 PHE QD 1 65 TYR QE . . 10.400 5.260 5.260 5.260 . 0 0 "[ ]" 1
984 1 61 PHE QE 1 65 TYR QD . . 7.300 2.413 2.413 2.413 . 0 0 "[ ]" 1
985 1 61 PHE QE 1 65 TYR QE . . 9.400 3.791 3.791 3.791 . 0 0 "[ ]" 1
986 1 61 PHE QE 1 73 PHE QE . . 10.400 4.438 4.438 4.438 . 0 0 "[ ]" 1
987 1 61 PHE HZ 1 65 TYR QD . . 7.200 3.116 3.116 3.116 . 0 0 "[ ]" 1
988 1 61 PHE HZ 1 65 TYR QE . . 7.700 3.275 3.275 3.275 . 0 0 "[ ]" 1
989 1 61 PHE HZ 1 73 PHE QE . . 5.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
990 1 62 GLU H 1 62 GLU HA . . 2.900 2.767 2.767 2.767 . 0 0 "[ ]" 1
991 1 62 GLU H 1 62 GLU HB2 . . 2.900 2.252 2.252 2.252 . 0 0 "[ ]" 1
992 1 62 GLU H 1 62 GLU HB3 . . 3.300 2.722 2.722 2.722 . 0 0 "[ ]" 1
993 1 62 GLU H 1 63 GLY H . . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 1
994 1 62 GLU HA 1 62 GLU HB2 . . 2.900 2.600 2.600 2.600 . 0 0 "[ ]" 1
995 1 62 GLU HB2 1 63 GLY H . . 3.800 3.861 3.861 3.861 0.061 1 0 "[ ]" 1
996 1 62 GLU HB3 1 63 GLY H . . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
997 1 63 GLY H 1 63 GLY HA2 . . 2.900 2.959 2.959 2.959 0.059 1 0 "[ ]" 1
998 1 63 GLY H 1 64 LYS H . . 5.000 4.491 4.491 4.491 . 0 0 "[ ]" 1
999 1 63 GLY HA2 1 64 LYS H . . 2.900 2.406 2.406 2.406 . 0 0 "[ ]" 1
1000 1 63 GLY HA3 1 64 LYS H . . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
1001 1 64 LYS H 1 64 LYS HB2 . . 3.300 2.241 2.241 2.241 . 0 0 "[ ]" 1
1002 1 64 LYS H 1 65 TYR H . . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
1003 1 64 LYS HA 1 64 LYS HB3 . . 2.900 2.614 2.614 2.614 . 0 0 "[ ]" 1
1004 1 64 LYS HA 1 65 TYR H . . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 1
1005 1 64 LYS HB2 1 65 TYR H . . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
1006 1 64 LYS HB3 1 65 TYR H . . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
1007 1 65 TYR H 1 65 TYR HB2 . . 3.300 2.729 2.729 2.729 . 0 0 "[ ]" 1
1008 1 65 TYR H 1 65 TYR HB3 . . 3.300 2.104 2.104 2.104 . 0 0 "[ ]" 1
1009 1 65 TYR HA 1 65 TYR HB2 . . 2.900 2.462 2.462 2.462 . 0 0 "[ ]" 1
1010 1 65 TYR HA 1 66 ASN H . . 2.900 2.238 2.238 2.238 . 0 0 "[ ]" 1
1011 1 65 TYR HB2 1 66 ASN H . . 5.500 4.143 4.143 4.143 . 0 0 "[ ]" 1
1012 1 65 TYR HB3 1 66 ASN H . . 5.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
1013 1 65 TYR QD 1 66 ASN H . . 7.200 1.947 1.947 1.947 . 0 0 "[ ]" 1
1014 1 65 TYR QD 1 67 CYS QB . . 8.580 3.437 3.437 3.437 . 0 0 "[ ]" 1
1015 1 65 TYR QD 1 73 PHE QE . . 9.400 4.196 4.196 4.196 . 0 0 "[ ]" 1
1016 1 65 TYR QD 1 73 PHE HZ . . 5.500 3.798 3.798 3.798 . 0 0 "[ ]" 1
1017 1 65 TYR QE 1 67 CYS HA . . 5.500 3.540 3.540 3.540 . 0 0 "[ ]" 1
1018 1 65 TYR QE 1 67 CYS HB2 . . 5.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
1019 1 65 TYR QE 1 67 CYS HB3 . . 5.500 4.380 4.380 4.380 . 0 0 "[ ]" 1
1020 1 65 TYR QE 1 72 PHE QD . . 9.400 2.945 2.945 2.945 . 0 0 "[ ]" 1
1021 1 65 TYR QE 1 72 PHE QE . . 7.700 2.717 2.717 2.717 . 0 0 "[ ]" 1
1022 1 65 TYR QE 1 72 PHE HZ . . 7.700 4.827 4.827 4.827 . 0 0 "[ ]" 1
1023 1 65 TYR QE 1 73 PHE QD . . 10.400 4.401 4.401 4.401 . 0 0 "[ ]" 1
1024 1 65 TYR QE 1 73 PHE QE . . 7.700 2.563 2.563 2.563 . 0 0 "[ ]" 1
1025 1 65 TYR QE 1 73 PHE HZ . . 5.100 2.708 2.708 2.708 . 0 0 "[ ]" 1
1026 1 66 ASN H 1 66 ASN HB3 . . 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 1
1027 1 66 ASN HA 1 66 ASN HD21 . . 3.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
1028 1 66 ASN HA 1 66 ASN HD22 . . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
1029 1 66 ASN HA 1 67 CYS H . . 2.900 2.260 2.260 2.260 . 0 0 "[ ]" 1
1030 1 66 ASN HB2 1 67 CYS H . . 5.500 4.646 4.646 4.646 . 0 0 "[ ]" 1
1031 1 66 ASN HB3 1 67 CYS H . . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
1032 1 66 ASN HD21 1 67 CYS H . . 3.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
1033 1 66 ASN HD21 1 68 THR H . . 2.400 2.434 2.434 2.434 0.034 1 0 "[ ]" 1
1034 1 66 ASN HD21 1 68 THR HA . . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
1035 1 66 ASN HD21 1 68 THR MG . . 4.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
1036 1 66 ASN HD22 1 67 CYS H . . 5.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
1037 1 66 ASN HD22 1 68 THR MG . . 3.700 3.042 3.042 3.042 . 0 0 "[ ]" 1
1038 1 66 ASN ND2 1 68 THR N . . 3.600 3.500 3.500 3.500 . 0 0 "[ ]" 1
1039 1 67 CYS HA 1 68 THR H . . 2.900 2.505 2.505 2.505 . 0 0 "[ ]" 1
1040 1 67 CYS HA 1 68 THR MG . . 6.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
1041 1 67 CYS HA 1 69 ASN H . . 5.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
1042 1 68 THR H 1 68 THR MG . . 4.300 1.857 1.857 1.857 . 0 0 "[ ]" 1
1043 1 68 THR H 1 69 ASN H . . 2.900 2.923 2.923 2.923 0.023 1 0 "[ ]" 1
1044 1 68 THR HA 1 68 THR HB . . 2.900 2.496 2.496 2.496 . 0 0 "[ ]" 1
1045 1 68 THR MG 1 69 ASN H . . 6.500 3.673 3.673 3.673 . 0 0 "[ ]" 1
1046 1 69 ASN H 1 69 ASN HA . . 2.900 2.847 2.847 2.847 . 0 0 "[ ]" 1
1047 1 69 ASN H 1 69 ASN HB2 . . 3.300 3.235 3.235 3.235 . 0 0 "[ ]" 1
1048 1 69 ASN H 1 69 ASN HB3 . . 3.300 3.074 3.074 3.074 . 0 0 "[ ]" 1
1049 1 69 ASN H 1 70 GLN H . . 5.500 3.983 3.983 3.983 . 0 0 "[ ]" 1
1050 1 69 ASN HA 1 70 GLN H . . 2.900 2.254 2.254 2.254 . 0 0 "[ ]" 1
1051 1 69 ASN HA 1 71 ARG H . . 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
1052 1 69 ASN QB 1 69 ASN HD21 . . 2.880 2.238 2.238 2.238 . 0 0 "[ ]" 1
1053 1 69 ASN QB 1 69 ASN HD22 . . 3.550 3.233 3.233 3.233 . 0 0 "[ ]" 1
1054 1 69 ASN HB2 1 69 ASN HD21 . . 3.300 2.670 2.670 2.670 . 0 0 "[ ]" 1
1055 1 69 ASN HB2 1 69 ASN HD22 . . 3.800 3.693 3.693 3.693 . 0 0 "[ ]" 1
1056 1 69 ASN HB3 1 69 ASN HD21 . . 3.300 2.403 2.403 2.403 . 0 0 "[ ]" 1
1057 1 69 ASN HB3 1 69 ASN HD22 . . 3.800 3.572 3.572 3.572 . 0 0 "[ ]" 1
1058 1 69 ASN O 1 71 ARG H . . 2.400 2.277 2.277 2.277 . 0 0 "[ ]" 1
1059 1 69 ASN O 1 71 ARG N . 2.700 3.200 3.044 3.044 3.044 . 0 0 "[ ]" 1
1060 1 70 GLN H 1 71 ARG H . . 5.000 3.148 3.148 3.148 . 0 0 "[ ]" 1
1061 1 70 GLN HA 1 71 ARG H . . 3.300 2.851 2.851 2.851 . 0 0 "[ ]" 1
1062 1 70 GLN HA 1 72 PHE H . . 5.500 3.558 3.558 3.558 . 0 0 "[ ]" 1
1063 1 70 GLN HA 1 85 HIS HE1 . . 5.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
1064 1 70 GLN HA 1 88 ILE MD . . 4.300 1.806 1.806 1.806 . 0 0 "[ ]" 1
1065 1 70 GLN HB2 1 85 HIS HE1 . . 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 1
1066 1 70 GLN HB3 1 85 HIS HE1 . . 3.300 2.125 2.125 2.125 . 0 0 "[ ]" 1
1067 1 70 GLN QG 1 71 ARG H . . 5.800 4.355 4.355 4.355 . 0 0 "[ ]" 1
1068 1 70 GLN QG 1 85 HIS HE1 . . 4.230 3.851 3.851 3.851 . 0 0 "[ ]" 1
1069 1 70 GLN HG2 1 85 HIS HE1 . . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
1070 1 70 GLN HG3 1 85 HIS HE1 . . 5.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
1071 1 70 GLN OE1 1 85 HIS HE2 . . 2.400 2.187 2.187 2.187 . 0 0 "[ ]" 1
1072 1 70 GLN OE1 1 85 HIS NE2 . 2.700 3.200 2.672 2.672 2.672 0.028 1 0 "[ ]" 1
1073 1 71 ARG H 1 71 ARG HB2 . . 3.300 2.530 2.530 2.530 . 0 0 "[ ]" 1
1074 1 71 ARG H 1 71 ARG QD . . 5.800 4.652 4.652 4.652 . 0 0 "[ ]" 1
1075 1 71 ARG H 1 71 ARG QG . . 3.300 2.990 2.990 2.990 . 0 0 "[ ]" 1
1076 1 71 ARG H 1 72 PHE H . . 2.900 1.841 1.841 1.841 . 0 0 "[ ]" 1
1077 1 71 ARG HB2 1 72 PHE H . . 5.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
1078 1 71 ARG HB3 1 72 PHE H . . 5.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
1079 1 71 ARG QG 1 72 PHE H . . 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
1080 1 72 PHE H 1 72 PHE HB2 . . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 1
1081 1 72 PHE H 1 72 PHE HB3 . . 3.300 2.151 2.151 2.151 . 0 0 "[ ]" 1
1082 1 72 PHE H 1 73 PHE H . . 3.300 2.478 2.478 2.478 . 0 0 "[ ]" 1
1083 1 72 PHE H 1 74 ASP H . . 5.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
1084 1 72 PHE HB2 1 73 PHE H . . 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
1085 1 72 PHE HB2 1 74 ASP H . . 5.500 5.328 5.328 5.328 . 0 0 "[ ]" 1
1086 1 72 PHE HB3 1 73 PHE H . . 3.300 2.613 2.613 2.613 . 0 0 "[ ]" 1
1087 1 72 PHE QD 1 73 PHE QD . . 9.400 3.471 3.471 3.471 . 0 0 "[ ]" 1
1088 1 72 PHE QD 1 73 PHE QE . . 7.700 3.390 3.390 3.390 . 0 0 "[ ]" 1
1089 1 72 PHE QE 1 73 PHE QD . . 9.400 4.535 4.535 4.535 . 0 0 "[ ]" 1
1090 1 72 PHE QE 1 73 PHE QE . . 9.900 3.664 3.664 3.664 . 0 0 "[ ]" 1
1091 1 73 PHE H 1 73 PHE HB2 . . 3.300 2.083 2.083 2.083 . 0 0 "[ ]" 1
1092 1 73 PHE H 1 74 ASP H . . 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 1
1093 1 73 PHE HA 1 73 PHE HB3 . . 2.900 2.696 2.696 2.696 . 0 0 "[ ]" 1
1094 1 73 PHE HB2 1 74 ASP H . . 5.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
1095 1 73 PHE HB3 1 74 ASP H . . 5.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
1096 1 73 PHE QD 1 88 ILE MD . . 5.900 1.979 1.979 1.979 . 0 0 "[ ]" 1
1097 1 73 PHE QD 1 88 ILE MG . . 8.200 2.324 2.324 2.324 . 0 0 "[ ]" 1
1098 1 73 PHE QE 1 88 ILE MD . . 6.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
1099 1 73 PHE QE 1 88 ILE MG . . 8.200 1.990 1.990 1.990 . 0 0 "[ ]" 1
1100 1 74 ASP H 1 74 ASP HB2 . . 2.700 2.233 2.233 2.233 . 0 0 "[ ]" 1
1101 1 74 ASP HA 1 75 LEU H . . 2.900 2.273 2.273 2.273 . 0 0 "[ ]" 1
1102 1 74 ASP HA 1 85 HIS HA . . 5.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
1103 1 74 ASP HB2 1 75 LEU H . . 5.500 4.564 4.564 4.564 . 0 0 "[ ]" 1
1104 1 74 ASP HB3 1 75 LEU H . . 3.800 3.838 3.838 3.838 0.038 1 0 "[ ]" 1
1105 1 75 LEU H 1 75 LEU HB2 . . 3.300 2.331 2.331 2.331 . 0 0 "[ ]" 1
1106 1 75 LEU H 1 75 LEU HG . . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
1107 1 75 LEU H 1 76 VAL H . . 5.500 4.514 4.514 4.514 . 0 0 "[ ]" 1
1108 1 75 LEU H 1 84 PHE H . . 3.800 3.852 3.852 3.852 0.052 1 0 "[ ]" 1
1109 1 75 LEU H 1 84 PHE O . . 2.400 2.405 2.405 2.405 0.005 1 0 "[ ]" 1
1110 1 75 LEU HA 1 76 VAL H . . 2.900 2.241 2.241 2.241 . 0 0 "[ ]" 1
1111 1 75 LEU HB2 1 76 VAL H . . 5.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
1112 1 75 LEU HB3 1 76 VAL H . . 3.300 3.152 3.152 3.152 . 0 0 "[ ]" 1
1113 1 75 LEU MD2 1 84 PHE HB2 . . 6.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
1114 1 75 LEU MD2 1 84 PHE QD . . 9.200 4.826 4.826 4.826 . 0 0 "[ ]" 1
1115 1 75 LEU N 1 84 PHE O . 2.700 3.200 3.181 3.181 3.181 . 0 0 "[ ]" 1
1116 1 75 LEU O 1 84 PHE H . . 2.400 1.757 1.757 1.757 0.043 1 0 "[ ]" 1
1117 1 75 LEU O 1 84 PHE N . 2.700 3.200 2.675 2.675 2.675 0.025 1 0 "[ ]" 1
1118 1 76 VAL H 1 76 VAL MG1 . . 3.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
1119 1 76 VAL H 1 76 VAL MG2 . . 4.300 2.371 2.371 2.371 . 0 0 "[ ]" 1
1120 1 76 VAL H 1 77 SER H . . 5.500 4.475 4.475 4.475 . 0 0 "[ ]" 1
1121 1 76 VAL HA 1 76 VAL HB . . 2.900 2.348 2.348 2.348 . 0 0 "[ ]" 1
1122 1 76 VAL HA 1 77 SER H . . 2.900 2.471 2.471 2.471 . 0 0 "[ ]" 1
1123 1 76 VAL HA 1 83 HIS HA . . 2.900 2.177 2.177 2.177 . 0 0 "[ ]" 1
1124 1 76 VAL HA 1 83 HIS QB . . 5.800 4.023 4.023 4.023 . 0 0 "[ ]" 1
1125 1 76 VAL HA 1 84 PHE H . . 3.500 2.598 2.598 2.598 . 0 0 "[ ]" 1
1126 1 76 VAL HA 1 84 PHE QD . . 7.700 3.058 3.058 3.058 . 0 0 "[ ]" 1
1127 1 76 VAL HB 1 77 SER H . . 2.900 2.573 2.573 2.573 . 0 0 "[ ]" 1
1128 1 76 VAL HB 1 83 HIS HA . . 5.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
1129 1 76 VAL MG1 1 77 SER H . . 4.800 3.975 3.975 3.975 . 0 0 "[ ]" 1
1130 1 76 VAL MG1 1 83 HIS HA . . 6.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
1131 1 76 VAL MG1 1 83 HIS QB . . 7.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
1132 1 76 VAL MG1 1 83 HIS HD2 . . 6.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
1133 1 76 VAL MG1 1 83 HIS HE1 . . 4.300 3.136 3.136 3.136 . 0 0 "[ ]" 1
1134 1 76 VAL MG2 1 77 SER H . . 4.300 3.119 3.119 3.119 . 0 0 "[ ]" 1
1135 1 76 VAL MG2 1 81 SER HA . . 6.500 4.992 4.992 4.992 . 0 0 "[ ]" 1
1136 1 76 VAL MG2 1 83 HIS HA . . 4.800 4.102 4.102 4.102 . 0 0 "[ ]" 1
1137 1 76 VAL MG2 1 83 HIS QB . . 6.800 4.871 4.871 4.871 . 0 0 "[ ]" 1
1138 1 76 VAL MG2 1 83 HIS HD2 . . 4.300 3.511 3.511 3.511 . 0 0 "[ ]" 1
1139 1 76 VAL MG2 1 83 HIS HE1 . . 6.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
1140 1 77 SER H 1 77 SER HB2 . . 3.300 2.527 2.527 2.527 . 0 0 "[ ]" 1
1141 1 77 SER H 1 77 SER QB . . 2.880 2.266 2.266 2.266 . 0 0 "[ ]" 1
1142 1 77 SER H 1 77 SER HB3 . . 3.300 2.561 2.561 2.561 . 0 0 "[ ]" 1
1143 1 77 SER H 1 82 ALA H . . 5.000 3.202 3.202 3.202 . 0 0 "[ ]" 1
1144 1 77 SER H 1 82 ALA MB . . 6.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
1145 1 77 SER H 1 82 ALA O . . 2.400 1.890 1.890 1.890 . 0 0 "[ ]" 1
1146 1 77 SER H 1 83 HIS HA . . 3.300 3.340 3.340 3.340 0.040 1 0 "[ ]" 1
1147 1 77 SER H 1 84 PHE H . . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
1148 1 77 SER HA 1 78 PRO HD2 . . 3.300 2.308 2.308 2.308 . 0 0 "[ ]" 1
1149 1 77 SER HA 1 78 PRO HD3 . . 3.300 1.980 1.980 1.980 . 0 0 "[ ]" 1
1150 1 77 SER HA 1 78 PRO QG . . 5.800 3.838 3.838 3.838 . 0 0 "[ ]" 1
1151 1 77 SER QB 1 78 PRO QD . . 5.810 3.564 3.564 3.564 . 0 0 "[ ]" 1
1152 1 77 SER QB 1 82 ALA H . . 4.100 2.675 2.675 2.675 . 0 0 "[ ]" 1
1153 1 77 SER QB 1 84 PHE QD . . 8.500 4.050 4.050 4.050 . 0 0 "[ ]" 1
1154 1 77 SER QB 1 84 PHE QE . . 6.300 1.994 1.994 1.994 . 0 0 "[ ]" 1
1155 1 77 SER QB 1 84 PHE HZ . . 2.880 1.965 1.965 1.965 . 0 0 "[ ]" 1
1156 1 77 SER HB2 1 78 PRO HD2 . . 6.750 4.321 4.321 4.321 . 0 0 "[ ]" 1
1157 1 77 SER HB2 1 78 PRO HD3 . . 6.750 4.521 4.521 4.521 . 0 0 "[ ]" 1
1158 1 77 SER HB2 1 82 ALA MB . . 4.300 3.233 3.233 3.233 . 0 0 "[ ]" 1
1159 1 77 SER HB2 1 84 PHE HZ . . 3.300 1.979 1.979 1.979 . 0 0 "[ ]" 1
1160 1 77 SER HB3 1 78 PRO HD2 . . 6.750 4.431 4.431 4.431 . 0 0 "[ ]" 1
1161 1 77 SER HB3 1 78 PRO HD3 . . 6.750 4.771 4.771 4.771 . 0 0 "[ ]" 1
1162 1 77 SER HB3 1 82 ALA MB . . 4.300 3.147 3.147 3.147 . 0 0 "[ ]" 1
1163 1 77 SER HB3 1 84 PHE HZ . . 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 1
1164 1 77 SER N 1 82 ALA O . 2.700 3.200 2.874 2.874 2.874 . 0 0 "[ ]" 1
1165 1 78 PRO HB2 1 79 THR MG . . 6.500 3.142 3.142 3.142 . 0 0 "[ ]" 1
1166 1 78 PRO HB3 1 79 THR MG . . 6.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
1167 1 78 PRO QG 1 79 THR MG . . 5.100 2.720 2.720 2.720 . 0 0 "[ ]" 1
1168 1 79 THR HA 1 79 THR HB . . 2.900 2.409 2.409 2.409 . 0 0 "[ ]" 1
1169 1 80 ARG QD 1 81 SER QB . . 7.100 5.228 5.228 5.228 . 0 0 "[ ]" 1
1170 1 80 ARG QD 1 82 ALA MB . . 5.100 2.465 2.465 2.465 . 0 0 "[ ]" 1
1171 1 80 ARG QG 1 82 ALA MB . . 5.150 2.675 2.675 2.675 . 0 0 "[ ]" 1
1172 1 80 ARG HG2 1 82 ALA MB . . 6.000 2.711 2.711 2.711 . 0 0 "[ ]" 1
1173 1 80 ARG HG3 1 82 ALA MB . . 6.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
1174 1 80 ARG O 1 82 ALA H . . 2.400 1.797 1.797 1.797 0.003 1 0 "[ ]" 1
1175 1 80 ARG O 1 82 ALA N . 2.700 3.200 2.672 2.672 2.672 0.028 1 0 "[ ]" 1
1176 1 81 SER HA 1 82 ALA H . . 2.900 2.645 2.645 2.645 . 0 0 "[ ]" 1
1177 1 81 SER HA 1 82 ALA HA . . 6.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
1178 1 81 SER QB 1 82 ALA HA . . 5.800 4.351 4.351 4.351 . 0 0 "[ ]" 1
1179 1 82 ALA HA 1 83 HIS H . . 2.900 2.257 2.257 2.257 . 0 0 "[ ]" 1
1180 1 82 ALA HA 1 83 HIS HD2 . . 5.500 3.559 3.559 3.559 . 0 0 "[ ]" 1
1181 1 82 ALA MB 1 84 PHE QE . . 8.200 2.640 2.640 2.640 . 0 0 "[ ]" 1
1182 1 82 ALA MB 1 84 PHE HZ . . 3.900 2.788 2.788 2.788 . 0 0 "[ ]" 1
1183 1 83 HIS HA 1 83 HIS HD2 . . 3.300 2.610 2.610 2.610 . 0 0 "[ ]" 1
1184 1 83 HIS HA 1 84 PHE H . . 2.900 2.316 2.316 2.316 . 0 0 "[ ]" 1
1185 1 84 PHE H 1 84 PHE HB2 . . 3.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
1186 1 84 PHE H 1 85 HIS H . . 5.500 4.396 4.396 4.396 . 0 0 "[ ]" 1
1187 1 84 PHE HA 1 84 PHE HB3 . . 2.900 2.461 2.461 2.461 . 0 0 "[ ]" 1
1188 1 84 PHE HA 1 85 HIS H . . 2.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
1189 1 84 PHE HB2 1 85 HIS H . . 5.500 4.046 4.046 4.046 . 0 0 "[ ]" 1
1190 1 84 PHE HB3 1 85 HIS H . . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
1191 1 84 PHE QD 1 85 HIS H . . 5.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
1192 1 85 HIS H 1 85 HIS HB2 . . 3.300 3.208 3.208 3.208 . 0 0 "[ ]" 1
1193 1 85 HIS H 1 85 HIS HB3 . . 3.300 2.361 2.361 2.361 . 0 0 "[ ]" 1
1194 1 85 HIS HA 1 86 PRO HD2 . . 3.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
1195 1 85 HIS HA 1 86 PRO HD3 . . 3.300 2.137 2.137 2.137 . 0 0 "[ ]" 1
1196 1 85 HIS HB2 1 85 HIS HD2 . . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1
1197 1 85 HIS HB2 1 85 HIS HE1 . . 5.200 5.136 5.136 5.136 . 0 0 "[ ]" 1
1198 1 85 HIS HB3 1 85 HIS HD2 . . 2.900 2.868 2.868 2.868 . 0 0 "[ ]" 1
1199 1 85 HIS HE1 1 87 ASN HA . . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 1
1200 1 85 HIS HE1 1 88 ILE MD . . 6.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
1201 1 86 PRO HA 1 87 ASN H . . 3.300 2.361 2.361 2.361 . 0 0 "[ ]" 1
1202 1 87 ASN HA 1 88 ILE H . . 2.900 2.254 2.254 2.254 . 0 0 "[ ]" 1
1203 1 88 ILE H 1 88 ILE HB . . 3.300 2.522 2.522 2.522 . 0 0 "[ ]" 1
1204 1 88 ILE H 1 89 GLN H . . 5.500 4.543 4.543 4.543 . 0 0 "[ ]" 1
1205 1 88 ILE HA 1 89 GLN H . . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 1
1206 1 88 ILE HB 1 89 GLN H . . 6.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
1207 1 88 ILE MG 1 89 GLN H . . 4.300 2.443 2.443 2.443 . 0 0 "[ ]" 1
1208 1 89 GLN H 1 89 GLN QG . . 4.100 3.724 3.724 3.724 . 0 0 "[ ]" 1
1209 1 89 GLN HA 1 90 GLY H . . 2.900 2.248 2.248 2.248 . 0 0 "[ ]" 1
1210 1 90 GLY H 1 90 GLY HA3 . . 2.900 2.313 2.313 2.313 . 0 0 "[ ]" 1
1211 1 90 GLY H 1 91 ALA H . . 5.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
1212 1 90 GLY HA2 1 91 ALA H . . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 1
1213 1 90 GLY HA3 1 91 ALA H . . 3.300 3.370 3.370 3.370 0.070 1 0 "[ ]" 1
1214 1 91 ALA HA 1 92 LYS H . . 3.300 2.189 2.189 2.189 . 0 0 "[ ]" 1
1215 1 91 ALA MB 1 97 VAL HB . . 6.500 4.949 4.949 4.949 . 0 0 "[ ]" 1
1216 1 91 ALA MB 1 97 VAL MG1 . . 4.700 2.877 2.877 2.877 . 0 0 "[ ]" 1
1217 1 91 ALA MB 1 97 VAL MG2 . . 7.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
1218 1 92 LYS HA 1 93 SER H . . 3.300 3.111 3.111 3.111 . 0 0 "[ ]" 1
1219 1 95 SER H 1 96 ASP H . . 2.900 2.454 2.454 2.454 . 0 0 "[ ]" 1
1220 1 95 SER H 1 97 VAL H . . 5.500 4.432 4.432 4.432 . 0 0 "[ ]" 1
1221 1 95 SER HA 1 97 VAL H . . 5.000 3.204 3.204 3.204 . 0 0 "[ ]" 1
1222 1 95 SER HA 1 97 VAL HB . . 5.500 5.587 5.587 5.587 0.087 1 0 "[ ]" 1
1223 1 95 SER HA 1 97 VAL MG1 . . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
1224 1 95 SER HA 1 97 VAL MG2 . . 6.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
1225 1 95 SER HA 1 98 LYS H . . 5.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
1226 1 95 SER HA 1 98 LYS QB . . 4.100 3.388 3.388 3.388 . 0 0 "[ ]" 1
1227 1 95 SER HA 1 98 LYS QG . . 5.800 5.211 5.211 5.211 . 0 0 "[ ]" 1
1228 1 95 SER QB 1 97 VAL MG1 . . 7.300 5.386 5.386 5.386 . 0 0 "[ ]" 1
1229 1 95 SER QB 1 98 LYS QB . . 7.100 2.878 2.878 2.878 . 0 0 "[ ]" 1
1230 1 95 SER O 1 99 SER H . . 2.400 2.192 2.192 2.192 . 0 0 "[ ]" 1
1231 1 95 SER O 1 99 SER N . 2.700 3.200 3.109 3.109 3.109 . 0 0 "[ ]" 1
1232 1 96 ASP H 1 96 ASP HB3 . . 2.900 2.415 2.415 2.415 . 0 0 "[ ]" 1
1233 1 96 ASP H 1 97 VAL H . . 2.900 2.814 2.814 2.814 . 0 0 "[ ]" 1
1234 1 96 ASP H 1 98 LYS H . . 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
1235 1 96 ASP HA 1 98 LYS H . . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
1236 1 96 ASP HA 1 99 SER H . . 5.500 3.236 3.236 3.236 . 0 0 "[ ]" 1
1237 1 96 ASP HA 1 99 SER QB . . 4.100 2.342 2.342 2.342 . 0 0 "[ ]" 1
1238 1 96 ASP HA 1 100 TYR H . . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
1239 1 96 ASP O 1 100 TYR H . . 2.400 2.070 2.070 2.070 . 0 0 "[ ]" 1
1240 1 96 ASP O 1 100 TYR N . 2.700 3.200 3.028 3.028 3.028 . 0 0 "[ ]" 1
1241 1 97 VAL H 1 97 VAL HB . . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
1242 1 97 VAL H 1 98 LYS H . . 2.900 2.583 2.583 2.583 . 0 0 "[ ]" 1
1243 1 97 VAL H 1 100 TYR H . . 5.500 4.768 4.768 4.768 . 0 0 "[ ]" 1
1244 1 97 VAL HA 1 100 TYR H . . 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
1245 1 97 VAL HA 1 100 TYR QB . . 4.100 2.663 2.663 2.663 . 0 0 "[ ]" 1
1246 1 97 VAL HB 1 98 LYS H . . 5.500 3.833 3.833 3.833 . 0 0 "[ ]" 1
1247 1 97 VAL MG1 1 100 TYR QD . . 8.200 4.823 4.823 4.823 . 0 0 "[ ]" 1
1248 1 97 VAL MG1 1 100 TYR QE . . 8.700 6.124 6.124 6.124 . 0 0 "[ ]" 1
1249 1 97 VAL MG1 1 101 ILE MD . . 7.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
1250 1 97 VAL MG1 1 113 PHE QE . . 6.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
1251 1 97 VAL MG1 1 113 PHE HZ . . 4.300 3.563 3.563 3.563 . 0 0 "[ ]" 1
1252 1 97 VAL MG2 1 101 ILE MD . . 4.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
1253 1 97 VAL MG2 1 101 ILE MG . . 7.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
1254 1 97 VAL MG2 1 113 PHE QD . . 8.700 3.935 3.935 3.935 . 0 0 "[ ]" 1
1255 1 97 VAL MG2 1 113 PHE QE . . 8.200 2.608 2.608 2.608 . 0 0 "[ ]" 1
1256 1 97 VAL MG2 1 113 PHE HZ . . 6.500 1.808 1.808 1.808 . 0 0 "[ ]" 1
1257 1 97 VAL MG2 1 115 ILE MD . . 7.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
1258 1 97 VAL O 1 101 ILE H . . 2.400 1.880 1.880 1.880 . 0 0 "[ ]" 1
1259 1 97 VAL O 1 101 ILE N . 2.700 3.200 2.757 2.757 2.757 . 0 0 "[ ]" 1
1260 1 98 LYS H 1 99 SER H . . 2.900 2.620 2.620 2.620 . 0 0 "[ ]" 1
1261 1 98 LYS H 1 100 TYR H . . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
1262 1 98 LYS H 1 101 ILE H . . 5.500 4.521 4.521 4.521 . 0 0 "[ ]" 1
1263 1 98 LYS HA 1 100 TYR H . . 5.500 4.486 4.486 4.486 . 0 0 "[ ]" 1
1264 1 98 LYS HA 1 101 ILE H . . 5.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
1265 1 98 LYS HA 1 101 ILE HB . . 3.800 2.137 2.137 2.137 . 0 0 "[ ]" 1
1266 1 98 LYS HA 1 101 ILE MD . . 4.300 2.382 2.382 2.382 . 0 0 "[ ]" 1
1267 1 98 LYS HA 1 101 ILE QG . . 5.880 3.626 3.626 3.626 . 0 0 "[ ]" 1
1268 1 98 LYS HA 1 101 ILE MG . . 6.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
1269 1 98 LYS HA 1 102 ASP H . . 5.500 3.898 3.898 3.898 . 0 0 "[ ]" 1
1270 1 98 LYS QG 1 115 ILE MD . . 5.100 1.938 1.938 1.938 . 0 0 "[ ]" 1
1271 1 98 LYS QG 1 115 ILE MG . . 7.300 4.782 4.782 4.782 . 0 0 "[ ]" 1
1272 1 98 LYS O 1 102 ASP H . . 2.400 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
1273 1 98 LYS O 1 102 ASP N . 2.700 3.200 2.714 2.714 2.714 . 0 0 "[ ]" 1
1274 1 99 SER H 1 100 TYR H . . 2.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
1275 1 99 SER H 1 101 ILE H . . 5.500 3.952 3.952 3.952 . 0 0 "[ ]" 1
1276 1 99 SER H 1 102 ASP H . . 5.500 4.647 4.647 4.647 . 0 0 "[ ]" 1
1277 1 99 SER HA 1 100 TYR QD . . 7.200 6.653 6.653 6.653 . 0 0 "[ ]" 1
1278 1 99 SER HA 1 102 ASP H . . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
1279 1 99 SER HA 1 102 ASP HB2 . . 5.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
1280 1 99 SER HA 1 102 ASP HB3 . . 5.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
1281 1 99 SER HA 1 103 LYS H . . 5.500 4.622 4.622 4.622 . 0 0 "[ ]" 1
1282 1 100 TYR H 1 101 ILE H . . 2.900 2.569 2.569 2.569 . 0 0 "[ ]" 1
1283 1 100 TYR H 1 102 ASP H . . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
1284 1 100 TYR HA 1 103 LYS H . . 5.000 3.194 3.194 3.194 . 0 0 "[ ]" 1
1285 1 100 TYR HA 1 103 LYS QB . . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
1286 1 100 TYR HA 1 103 LYS QD . . 4.100 2.814 2.814 2.814 . 0 0 "[ ]" 1
1287 1 100 TYR HA 1 103 LYS QE . . 6.300 4.893 4.893 4.893 . 0 0 "[ ]" 1
1288 1 100 TYR HA 1 103 LYS QG . . 4.100 3.351 3.351 3.351 . 0 0 "[ ]" 1
1289 1 100 TYR QD 1 101 ILE MD . . 8.200 3.866 3.866 3.866 . 0 0 "[ ]" 1
1290 1 100 TYR QD 1 101 ILE MG . . 8.200 4.842 4.842 4.842 . 0 0 "[ ]" 1
1291 1 100 TYR QD 1 103 LYS QB . . 6.300 3.682 3.682 3.682 . 0 0 "[ ]" 1
1292 1 100 TYR QD 1 103 LYS QD . . 6.300 3.881 3.881 3.881 . 0 0 "[ ]" 1
1293 1 100 TYR QD 1 103 LYS QE . . 8.500 5.993 5.993 5.993 . 0 0 "[ ]" 1
1294 1 100 TYR QE 1 101 ILE MG . . 8.700 5.546 5.546 5.546 . 0 0 "[ ]" 1
1295 1 100 TYR QE 1 103 LYS QD . . 8.000 5.456 5.456 5.456 . 0 0 "[ ]" 1
1296 1 100 TYR O 1 103 LYS H . . 2.400 2.364 2.364 2.364 . 0 0 "[ ]" 1
1297 1 100 TYR O 1 103 LYS N . 2.700 3.200 3.077 3.077 3.077 . 0 0 "[ ]" 1
1298 1 101 ILE H 1 101 ILE HB . . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 1
1299 1 101 ILE H 1 102 ASP H . . 2.900 2.584 2.584 2.584 . 0 0 "[ ]" 1
1300 1 101 ILE HA 1 103 LYS H . . 6.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
1301 1 101 ILE HA 1 104 ASP H . . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
1302 1 101 ILE HB 1 102 ASP H . . 3.300 2.864 2.864 2.864 . 0 0 "[ ]" 1
1303 1 101 ILE MD 1 113 PHE HB3 . . 4.300 3.359 3.359 3.359 . 0 0 "[ ]" 1
1304 1 101 ILE MD 1 113 PHE QD . . 6.100 2.310 2.310 2.310 . 0 0 "[ ]" 1
1305 1 101 ILE MD 1 113 PHE QE . . 6.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
1306 1 101 ILE MD 1 113 PHE HZ . . 6.500 3.527 3.527 3.527 . 0 0 "[ ]" 1
1307 1 101 ILE MG 1 102 ASP H . . 6.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
1308 1 101 ILE MG 1 102 ASP HA . . 6.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
1309 1 101 ILE MG 1 113 PHE HB3 . . 6.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
1310 1 101 ILE MG 1 113 PHE QD . . 8.200 3.788 3.788 3.788 . 0 0 "[ ]" 1
1311 1 101 ILE MG 1 113 PHE QE . . 8.200 4.961 4.961 4.961 . 0 0 "[ ]" 1
1312 1 102 ASP H 1 103 LYS H . . 3.300 2.519 2.519 2.519 . 0 0 "[ ]" 1
1313 1 103 LYS H 1 104 ASP H . . 5.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
1314 1 103 LYS HA 1 104 ASP H . . 2.900 2.493 2.493 2.493 . 0 0 "[ ]" 1
1315 1 104 ASP H 1 105 GLY H . . 5.500 4.546 4.546 4.546 . 0 0 "[ ]" 1
1316 1 104 ASP HA 1 105 GLY H . . 2.900 2.673 2.673 2.673 . 0 0 "[ ]" 1
1317 1 104 ASP HA 1 107 VAL MG1 . . 4.300 2.763 2.763 2.763 . 0 0 "[ ]" 1
1318 1 104 ASP HA 1 107 VAL MG2 . . 6.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
1319 1 104 ASP QB 1 107 VAL MG1 . . 6.800 3.484 3.484 3.484 . 0 0 "[ ]" 1
1320 1 105 GLY H 1 105 GLY HA3 . . 2.900 2.955 2.955 2.955 0.055 1 0 "[ ]" 1
1321 1 105 GLY H 1 106 ASP H . . 5.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
1322 1 105 GLY H 1 107 VAL MG1 . . 4.300 1.983 1.983 1.983 . 0 0 "[ ]" 1
1323 1 105 GLY H 1 107 VAL MG2 . . 6.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
1324 1 105 GLY HA2 1 106 ASP H . . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 1
1325 1 106 ASP H 1 107 VAL H . . 5.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
1326 1 106 ASP HA 1 107 VAL H . . 2.900 2.924 2.924 2.924 0.024 1 0 "[ ]" 1
1327 1 106 ASP QB 1 107 VAL H . . 4.180 3.846 3.846 3.846 . 0 0 "[ ]" 1
1328 1 107 VAL H 1 107 VAL MG1 . . 3.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
1329 1 107 VAL H 1 108 LEU H . . 5.500 4.446 4.446 4.446 . 0 0 "[ ]" 1
1330 1 107 VAL HA 1 108 LEU H . . 2.900 2.495 2.495 2.495 . 0 0 "[ ]" 1
1331 1 107 VAL HB 1 108 LEU H . . 3.300 2.787 2.787 2.787 . 0 0 "[ ]" 1
1332 1 107 VAL MG1 1 108 LEU H . . 6.500 4.129 4.129 4.129 . 0 0 "[ ]" 1
1333 1 107 VAL MG2 1 108 LEU H . . 4.300 2.448 2.448 2.448 . 0 0 "[ ]" 1
1334 1 108 LEU HA 1 109 GLU H . . 2.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
1335 1 109 GLU HA 1 110 TRP H . . 2.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
1336 1 110 TRP H 1 111 GLY H . . 5.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
1337 1 110 TRP HA 1 111 GLY H . . 2.900 2.317 2.317 2.317 . 0 0 "[ ]" 1
1338 1 110 TRP HD1 1 111 GLY H . . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
1339 1 111 GLY H 1 111 GLY HA3 . . 2.900 2.831 2.831 2.831 . 0 0 "[ ]" 1
1340 1 111 GLY HA2 1 112 THR H . . 2.900 2.586 2.586 2.586 . 0 0 "[ ]" 1
1341 1 111 GLY HA3 1 112 THR H . . 3.300 2.653 2.653 2.653 . 0 0 "[ ]" 1
1342 1 112 THR H 1 112 THR HB . . 3.300 2.461 2.461 2.461 . 0 0 "[ ]" 1
1343 1 112 THR HA 1 113 PHE H . . 2.900 2.155 2.155 2.155 . 0 0 "[ ]" 1
1344 1 112 THR HB 1 113 PHE H . . 5.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
1345 1 112 THR MG 1 113 PHE H . . 4.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
1346 1 112 THR MG 1 114 GLN HE21 . . 4.300 3.242 3.242 3.242 . 0 0 "[ ]" 1
1347 1 112 THR MG 1 114 GLN HE22 . . 4.300 3.214 3.214 3.214 . 0 0 "[ ]" 1
1348 1 113 PHE H 1 113 PHE HB2 . . 3.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
1349 1 113 PHE H 1 113 PHE HB3 . . 3.300 2.556 2.556 2.556 . 0 0 "[ ]" 1
1350 1 113 PHE H 1 114 GLN H . . 5.500 4.639 4.639 4.639 . 0 0 "[ ]" 1
1351 1 113 PHE HA 1 114 GLN H . . 2.900 2.337 2.337 2.337 . 0 0 "[ ]" 1
1352 1 113 PHE HA 1 114 GLN HE21 . . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
1353 1 113 PHE HA 1 114 GLN HE22 . . 5.500 4.531 4.531 4.531 . 0 0 "[ ]" 1
1354 1 113 PHE HB2 1 114 GLN H . . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
1355 1 113 PHE HB3 1 114 GLN H . . 3.800 3.745 3.745 3.745 . 0 0 "[ ]" 1
1356 1 113 PHE QD 1 114 GLN H . . 7.200 2.797 2.797 2.797 . 0 0 "[ ]" 1
1357 1 113 PHE QD 1 115 ILE HA . . 7.700 4.173 4.173 4.173 . 0 0 "[ ]" 1
1358 1 113 PHE QD 1 115 ILE MD . . 6.500 3.579 3.579 3.579 . 0 0 "[ ]" 1
1359 1 113 PHE QD 1 115 ILE MG . . 8.700 5.101 5.101 5.101 . 0 0 "[ ]" 1
1360 1 113 PHE QE 1 114 GLN H . . 7.700 3.953 3.953 3.953 . 0 0 "[ ]" 1
1361 1 113 PHE QE 1 115 ILE HA . . 5.500 3.225 3.225 3.225 . 0 0 "[ ]" 1
1362 1 113 PHE QE 1 115 ILE MD . . 8.200 3.865 3.865 3.865 . 0 0 "[ ]" 1
1363 1 113 PHE QE 1 115 ILE MG . . 8.700 3.999 3.999 3.999 . 0 0 "[ ]" 1
1364 1 113 PHE HZ 1 114 GLN H . . 5.500 5.189 5.189 5.189 . 0 0 "[ ]" 1
1365 1 113 PHE HZ 1 115 ILE HA . . 5.500 5.157 5.157 5.157 . 0 0 "[ ]" 1
1366 1 114 GLN H 1 114 GLN QG . . 4.100 1.927 1.927 1.927 . 0 0 "[ ]" 1
1367 1 114 GLN H 1 115 ILE H . . 5.500 4.198 4.198 4.198 . 0 0 "[ ]" 1
1368 1 114 GLN HA 1 114 GLN HE21 . . 5.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
1369 1 114 GLN HA 1 114 GLN HE22 . . 5.500 5.607 5.607 5.607 0.107 1 0 "[ ]" 1
1370 1 114 GLN HA 1 115 ILE H . . 2.900 2.222 2.222 2.222 . 0 0 "[ ]" 1
1371 1 115 ILE H 1 115 ILE HB . . 2.900 2.407 2.407 2.407 . 0 0 "[ ]" 1
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