NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
466690 |
2kq3   |
16585 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kq3
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 1632
_Distance_constraint_stats_list.Viol_count 3459
_Distance_constraint_stats_list.Viol_total 4394.825
_Distance_constraint_stats_list.Viol_max 2.933
_Distance_constraint_stats_list.Viol_rms 0.0901
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0635
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.025 0.010 20 0 "[ . 1 . 2]"
1 5 LYS 0.060 0.022 13 0 "[ . 1 . 2]"
1 6 LYS 0.163 0.055 8 0 "[ . 1 . 2]"
1 7 LEU 0.022 0.018 14 0 "[ . 1 . 2]"
1 8 HIS 0.500 0.095 14 0 "[ . 1 . 2]"
1 9 LYS 1.190 0.095 14 0 "[ . 1 . 2]"
1 10 GLU 0.661 0.077 3 0 "[ . 1 . 2]"
1 11 PRO 0.029 0.008 19 0 "[ . 1 . 2]"
1 12 ALA 8.311 1.235 15 8 "[ * .-* *1* *+ *]"
1 13 THR 19.490 1.249 13 20 [*****-******+*******]
1 14 LEU 1.314 0.199 15 0 "[ . 1 . 2]"
1 15 ILE 0.180 0.014 10 0 "[ . 1 . 2]"
1 16 LYS 1.028 0.045 6 0 "[ . 1 . 2]"
1 17 ALA 1.317 0.063 10 0 "[ . 1 . 2]"
1 18 ILE 2.247 0.064 5 0 "[ . 1 . 2]"
1 19 ASP 2.673 0.064 5 0 "[ . 1 . 2]"
1 20 GLY 0.189 0.073 10 0 "[ . 1 . 2]"
1 21 ASP 1.319 0.092 17 0 "[ . 1 . 2]"
1 22 THR 0.373 0.031 16 0 "[ . 1 . 2]"
1 23 VAL 0.766 0.050 17 0 "[ . 1 . 2]"
1 24 LYS 1.027 0.039 10 0 "[ . 1 . 2]"
1 25 LEU 4.865 0.877 15 3 "[ - . *1 + 2]"
1 26 MET 0.113 0.016 5 0 "[ . 1 . 2]"
1 27 TYR 1.325 0.068 7 0 "[ . 1 . 2]"
1 28 LYS 2.115 0.068 7 0 "[ . 1 . 2]"
1 29 GLY 0.125 0.015 4 0 "[ . 1 . 2]"
1 30 GLN 1.915 0.096 14 0 "[ . 1 . 2]"
1 31 PRO 2.417 0.096 14 0 "[ . 1 . 2]"
1 32 MET 0.746 0.049 17 0 "[ . 1 . 2]"
1 33 THR 0.657 0.033 12 0 "[ . 1 . 2]"
1 34 PHE 2.372 0.098 9 0 "[ . 1 . 2]"
1 35 ARG 1.573 0.065 14 0 "[ . 1 . 2]"
1 36 LEU 2.760 0.096 17 0 "[ . 1 . 2]"
1 37 LEU 2.205 0.090 13 0 "[ . 1 . 2]"
1 38 LEU 0.794 0.103 13 0 "[ . 1 . 2]"
1 39 VAL 0.535 0.096 17 0 "[ . 1 . 2]"
1 40 ASP 0.519 0.045 3 0 "[ . 1 . 2]"
1 41 THR 0.099 0.027 17 0 "[ . 1 . 2]"
1 44 THR 0.056 0.032 2 0 "[ . 1 . 2]"
1 45 LYS 0.079 0.032 2 0 "[ . 1 . 2]"
1 46 HIS 0.034 0.018 6 0 "[ . 1 . 2]"
1 47 PRO 0.009 0.004 1 0 "[ . 1 . 2]"
1 48 LYS 0.030 0.025 6 0 "[ . 1 . 2]"
1 49 LYS 0.018 0.009 11 0 "[ . 1 . 2]"
1 50 GLY 0.025 0.025 6 0 "[ . 1 . 2]"
1 51 VAL 0.009 0.004 1 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.269 0.065 8 0 "[ . 1 . 2]"
1 57 GLU 0.021 0.011 6 0 "[ . 1 . 2]"
1 58 ALA 0.296 0.045 8 0 "[ . 1 . 2]"
1 59 SER 0.463 0.065 8 0 "[ . 1 . 2]"
1 60 ALA 0.523 0.042 16 0 "[ . 1 . 2]"
1 61 PHE 2.760 0.057 10 0 "[ . 1 . 2]"
1 62 THR 0.757 0.045 6 0 "[ . 1 . 2]"
1 63 LYS 0.160 0.031 17 0 "[ . 1 . 2]"
1 64 LYS 0.716 0.038 15 0 "[ . 1 . 2]"
1 65 MET 0.734 0.066 9 0 "[ . 1 . 2]"
1 66 VAL 1.105 0.047 7 0 "[ . 1 . 2]"
1 67 GLU 56.164 2.933 8 20 [*******+**********-*]
1 68 ASN 0.172 0.023 4 0 "[ . 1 . 2]"
1 69 ALA 0.325 0.023 4 0 "[ . 1 . 2]"
1 70 LYS 0.069 0.020 5 0 "[ . 1 . 2]"
1 71 LYS 0.561 0.026 14 0 "[ . 1 . 2]"
1 72 ILE 152.131 2.933 8 20 [*******+***-********]
1 73 GLU 0.360 0.024 5 0 "[ . 1 . 2]"
1 74 VAL 7.420 0.355 11 0 "[ . 1 . 2]"
1 75 GLU 0.165 0.034 12 0 "[ . 1 . 2]"
1 76 PHE 3.241 0.086 6 0 "[ . 1 . 2]"
1 77 ASP 1.699 0.086 6 0 "[ . 1 . 2]"
1 78 LYS 1.417 0.094 20 0 "[ . 1 . 2]"
1 79 GLY 0.597 0.048 6 0 "[ . 1 . 2]"
1 80 GLN 2.103 0.072 6 0 "[ . 1 . 2]"
1 81 ARG 2.191 0.071 12 0 "[ . 1 . 2]"
1 82 THR 1.152 0.072 6 0 "[ . 1 . 2]"
1 83 ASP 0.350 0.026 7 0 "[ . 1 . 2]"
1 84 LYS 2.092 0.074 1 0 "[ . 1 . 2]"
1 85 TYR 2.430 0.074 1 0 "[ . 1 . 2]"
1 86 GLY 1.046 0.062 1 0 "[ . 1 . 2]"
1 87 ARG 1.546 0.053 17 0 "[ . 1 . 2]"
1 88 GLY 0.711 0.047 16 0 "[ . 1 . 2]"
1 89 LEU 2.852 0.068 7 0 "[ . 1 . 2]"
1 90 ALA 0.128 0.017 7 0 "[ . 1 . 2]"
1 91 TYR 0.354 0.112 9 0 "[ . 1 . 2]"
1 92 ILE 34.372 2.027 9 20 [********+*******-***]
1 93 TYR 1.190 0.112 9 0 "[ . 1 . 2]"
1 94 ALA 5.108 0.574 19 3 "[ * . 1 - . +2]"
1 95 ASP 18.362 1.620 2 12 "[*+ ** * * ** .*-**2]"
1 96 GLY 1.110 0.053 15 0 "[ . 1 . 2]"
1 97 LYS 1.820 0.053 15 0 "[ . 1 . 2]"
1 98 MET 0.433 0.031 14 0 "[ . 1 . 2]"
1 99 VAL 0.078 0.021 6 0 "[ . 1 . 2]"
1 100 ASN 2.343 0.063 10 0 "[ . 1 . 2]"
1 101 GLU 0.179 0.038 5 0 "[ . 1 . 2]"
1 102 ALA 0.490 0.038 5 0 "[ . 1 . 2]"
1 103 LEU 1.958 0.078 16 0 "[ . 1 . 2]"
1 104 VAL 0.966 0.041 3 0 "[ . 1 . 2]"
1 105 ARG 0.707 0.064 11 0 "[ . 1 . 2]"
1 106 GLN 2.978 0.198 16 0 "[ . 1 . 2]"
1 107 GLY 1.279 0.070 6 0 "[ . 1 . 2]"
1 108 LEU 0.406 0.035 16 0 "[ . 1 . 2]"
1 109 ALA 0.052 0.017 7 0 "[ . 1 . 2]"
1 110 LYS 0.252 0.033 6 0 "[ . 1 . 2]"
1 111 VAL 1.962 0.057 5 0 "[ . 1 . 2]"
1 112 ALA 0.078 0.021 9 0 "[ . 1 . 2]"
1 113 TYR 0.027 0.010 12 0 "[ . 1 . 2]"
1 114 VAL 0.453 0.032 5 0 "[ . 1 . 2]"
1 115 TYR 0.080 0.029 12 0 "[ . 1 . 2]"
1 116 LYS 1.072 0.062 15 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ASN 1.070 0.062 15 0 "[ . 1 . 2]"
1 119 ASN 0.740 0.052 12 0 "[ . 1 . 2]"
1 120 THR 0.722 0.094 20 0 "[ . 1 . 2]"
1 121 HIS 0.252 0.036 19 0 "[ . 1 . 2]"
1 122 GLU 0.016 0.014 5 0 "[ . 1 . 2]"
1 123 GLN 0.018 0.004 19 0 "[ . 1 . 2]"
1 124 LEU 0.207 0.031 14 0 "[ . 1 . 2]"
1 125 LEU 0.562 0.049 10 0 "[ . 1 . 2]"
1 126 ARG 0.191 0.021 19 0 "[ . 1 . 2]"
1 127 LYS 0.359 0.040 12 0 "[ . 1 . 2]"
1 128 SER 1.184 0.040 12 0 "[ . 1 . 2]"
1 129 GLU 1.523 0.057 5 0 "[ . 1 . 2]"
1 130 ALA 1.032 0.055 7 0 "[ . 1 . 2]"
1 131 GLN 2.217 0.108 19 0 "[ . 1 . 2]"
1 132 ALA 0.991 0.070 6 0 "[ . 1 . 2]"
1 133 LYS 1.128 0.073 11 0 "[ . 1 . 2]"
1 134 LYS 0.857 0.088 12 0 "[ . 1 . 2]"
1 135 GLU 1.822 0.088 12 0 "[ . 1 . 2]"
1 136 LYS 1.132 0.044 18 0 "[ . 1 . 2]"
1 137 LEU 3.184 0.086 15 0 "[ . 1 . 2]"
1 138 ASN 0.458 0.076 20 0 "[ . 1 . 2]"
1 139 ILE 0.142 0.026 20 0 "[ . 1 . 2]"
1 140 TRP 3.074 0.086 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 3 SER H 2.750 . 3.700 2.726 2.141 3.570 . 0 0 "[ . 1 . 2]" 1
2 1 3 SER H 1 3 SER HB2 3.150 . 4.500 3.174 2.169 3.774 . 0 0 "[ . 1 . 2]" 1
3 1 3 SER HA 1 4 THR H 2.750 . 3.700 2.721 2.160 3.571 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR H 1 5 LYS HA 3.150 . 4.500 4.381 4.047 4.510 0.010 20 0 "[ . 1 . 2]" 1
5 1 5 LYS H 1 5 LYS HA 2.750 . 3.700 2.854 2.274 2.944 . 0 0 "[ . 1 . 2]" 1
6 1 5 LYS H 1 5 LYS HB2 2.750 . 3.700 3.093 2.161 3.722 0.022 13 0 "[ . 1 . 2]" 1
7 1 5 LYS H 1 5 LYS HG2 2.750 . 3.700 2.749 1.985 3.562 . 0 0 "[ . 1 . 2]" 1
8 1 6 LYS HA 1 6 LYS HB3 2.750 . 3.700 2.997 2.970 3.018 . 0 0 "[ . 1 . 2]" 1
9 1 6 LYS HA 1 6 LYS HB2 2.750 . 3.700 2.611 2.527 2.673 . 0 0 "[ . 1 . 2]" 1
10 1 5 LYS HA 1 6 LYS H 2.300 . 2.800 2.311 2.139 2.616 . 0 0 "[ . 1 . 2]" 1
11 1 6 LYS H 1 6 LYS HA 2.750 . 3.700 2.890 2.797 2.934 . 0 0 "[ . 1 . 2]" 1
12 1 6 LYS H 1 6 LYS HB3 2.300 . 2.800 2.771 2.661 2.855 0.055 8 0 "[ . 1 . 2]" 1
13 1 6 LYS H 1 6 LYS HB2 2.300 . 2.800 2.420 2.335 2.603 . 0 0 "[ . 1 . 2]" 1
14 1 6 LYS H 1 6 LYS HE3 3.150 . 4.500 4.344 4.016 4.509 0.009 6 0 "[ . 1 . 2]" 1
15 1 7 LEU HA 1 7 LEU HB3 2.750 . 3.700 2.617 2.363 2.859 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU HA 1 7 LEU MD1 3.150 . 4.500 3.168 2.020 3.989 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU HA 1 7 LEU HG 2.750 . 3.700 2.486 2.178 3.718 0.018 14 0 "[ . 1 . 2]" 1
18 1 7 LEU HA 1 7 LEU MD2 3.150 . 4.500 3.253 2.309 3.776 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS HA 1 7 LEU H 2.300 . 2.800 2.334 2.137 2.662 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS HG2 1 7 LEU H 3.150 . 4.500 3.418 2.264 4.108 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU H 1 7 LEU HB2 2.900 . 4.000 2.608 2.057 3.319 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU H 1 7 LEU MD1 2.750 . 3.700 2.898 1.948 3.525 . 0 0 "[ . 1 . 2]" 1
23 1 8 HIS HA 1 8 HIS HB3 2.750 . 3.700 2.582 2.340 3.028 . 0 0 "[ . 1 . 2]" 1
24 1 8 HIS HA 1 8 HIS HB2 2.750 . 3.700 2.582 2.490 2.702 . 0 0 "[ . 1 . 2]" 1
25 1 8 HIS HD2 1 9 LYS HA 3.150 . 4.500 4.208 3.462 4.512 0.012 20 0 "[ . 1 . 2]" 1
26 1 7 LEU HA 1 8 HIS H 2.900 . 4.000 2.920 2.254 3.570 . 0 0 "[ . 1 . 2]" 1
27 1 7 LEU HB3 1 8 HIS H 2.300 . 2.800 2.235 1.811 2.804 0.004 18 0 "[ . 1 . 2]" 1
28 1 8 HIS H 1 8 HIS HA 2.750 . 3.700 2.853 2.739 2.944 . 0 0 "[ . 1 . 2]" 1
29 1 8 HIS H 1 8 HIS HB3 2.750 . 3.700 3.456 2.966 3.715 0.015 16 0 "[ . 1 . 2]" 1
30 1 8 HIS H 1 9 LYS HA 3.150 . 4.500 4.497 4.392 4.595 0.095 14 0 "[ . 1 . 2]" 1
31 1 8 HIS H 1 9 LYS HD2 2.750 . 3.700 3.511 2.899 3.749 0.049 20 0 "[ . 1 . 2]" 1
32 1 9 LYS HA 1 10 GLU HA 3.150 . 4.500 4.441 4.399 4.509 0.009 2 0 "[ . 1 . 2]" 1
33 1 9 LYS HA 1 9 LYS HD2 3.150 . 4.500 3.796 3.138 4.342 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS HA 1 9 LYS HG3 3.150 . 4.500 3.375 2.342 4.241 . 0 0 "[ . 1 . 2]" 1
35 1 9 LYS HA 1 9 LYS HG2 3.150 . 4.500 3.605 3.555 3.664 . 0 0 "[ . 1 . 2]" 1
36 1 9 LYS HB2 1 9 LYS HD2 3.750 . 5.700 3.389 2.354 3.720 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS HD2 1 9 LYS HG2 2.750 . 3.700 2.734 2.451 3.017 . 0 0 "[ . 1 . 2]" 1
38 1 8 HIS HA 1 9 LYS H 2.900 . 4.000 2.855 2.141 3.551 . 0 0 "[ . 1 . 2]" 1
39 1 8 HIS HB2 1 9 LYS H 2.750 . 3.700 3.508 2.889 3.789 0.089 20 0 "[ . 1 . 2]" 1
40 1 9 LYS H 1 9 LYS HA 2.750 . 3.700 2.928 2.859 2.947 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS H 1 9 LYS HB2 2.750 . 3.700 3.137 2.379 3.710 0.010 6 0 "[ . 1 . 2]" 1
42 1 9 LYS H 1 9 LYS HD2 3.150 . 4.500 2.600 1.997 4.122 . 0 0 "[ . 1 . 2]" 1
43 1 9 LYS H 1 9 LYS HE3 3.150 . 4.500 4.319 3.786 4.535 0.035 20 0 "[ . 1 . 2]" 1
44 1 9 LYS H 1 9 LYS HG3 3.150 . 4.500 3.748 3.580 3.913 . 0 0 "[ . 1 . 2]" 1
45 1 9 LYS H 1 9 LYS HG2 3.150 . 4.500 3.318 2.196 4.415 . 0 0 "[ . 1 . 2]" 1
46 1 10 GLU HA 1 10 GLU HB3 2.750 . 3.700 2.875 2.522 3.023 . 0 0 "[ . 1 . 2]" 1
47 1 10 GLU HA 1 10 GLU HG3 2.750 . 3.700 2.408 2.076 2.992 . 0 0 "[ . 1 . 2]" 1
48 1 10 GLU HB3 1 27 TYR HE1 3.150 . 4.500 3.919 3.005 4.471 . 0 0 "[ . 1 . 2]" 1
49 1 10 GLU HB3 1 74 VAL MG2 3.750 . 5.700 3.492 3.181 4.189 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLU HA 1 10 GLU HG2 3.150 . 4.500 3.044 2.128 3.664 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLU HG2 1 27 TYR HE1 3.750 . 5.700 4.259 2.382 5.596 . 0 0 "[ . 1 . 2]" 1
52 1 10 GLU HG2 1 74 VAL MG2 3.750 . 5.700 5.009 4.185 5.646 . 0 0 "[ . 1 . 2]" 1
53 1 10 GLU H 1 10 GLU HA 2.750 . 3.700 2.931 2.883 2.947 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLU H 1 10 GLU HB3 2.750 . 3.700 3.225 2.854 3.706 0.006 17 0 "[ . 1 . 2]" 1
55 1 10 GLU H 1 10 GLU HB2 2.750 . 3.700 2.750 2.429 3.371 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLU H 1 74 VAL MG2 3.750 . 5.700 4.122 3.536 4.666 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS HA 1 10 GLU H 2.300 . 2.800 2.378 2.308 2.395 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS HB2 1 10 GLU H 2.750 . 3.700 3.045 2.458 3.723 0.023 20 0 "[ . 1 . 2]" 1
59 1 9 LYS HG3 1 10 GLU H 3.150 . 4.500 4.186 3.857 4.508 0.008 6 0 "[ . 1 . 2]" 1
60 1 9 LYS HG2 1 10 GLU H 3.150 . 4.500 4.202 3.719 4.527 0.027 8 0 "[ . 1 . 2]" 1
61 1 9 LYS H 1 10 GLU H 3.150 . 4.500 4.524 4.499 4.577 0.077 3 0 "[ . 1 . 2]" 1
62 1 11 PRO HA 1 11 PRO HB3 2.750 . 3.700 2.314 2.260 2.326 . 0 0 "[ . 1 . 2]" 1
63 1 11 PRO HA 1 12 ALA MB 3.750 . 5.700 3.818 3.693 3.859 . 0 0 "[ . 1 . 2]" 1
64 1 11 PRO HA 1 73 GLU HA 3.150 . 4.500 2.106 1.937 2.356 . 0 0 "[ . 1 . 2]" 1
65 1 11 PRO HA 1 73 GLU HB3 2.750 . 3.700 3.264 2.931 3.541 . 0 0 "[ . 1 . 2]" 1
66 1 11 PRO HB2 1 73 GLU HA 3.150 . 4.500 4.330 3.936 4.508 0.008 19 0 "[ . 1 . 2]" 1
67 1 12 ALA MB 1 27 TYR HD1 3.750 . 5.700 3.954 3.381 4.684 . 0 0 "[ . 1 . 2]" 1
68 1 12 ALA MB 1 73 GLU HA 3.750 . 5.700 3.660 2.843 4.225 . 0 0 "[ . 1 . 2]" 1
69 1 11 PRO HA 1 12 ALA H 2.300 . 2.800 2.461 2.359 2.581 . 0 0 "[ . 1 . 2]" 1
70 1 11 PRO HB3 1 12 ALA H 2.750 . 3.700 3.447 2.880 3.587 . 0 0 "[ . 1 . 2]" 1
71 1 11 PRO HB2 1 12 ALA H 2.750 . 3.700 2.470 2.184 2.703 . 0 0 "[ . 1 . 2]" 1
72 1 12 ALA H 1 12 ALA HA 2.300 . 2.800 2.848 2.846 2.849 0.049 2 0 "[ . 1 . 2]" 1
73 1 12 ALA H 1 12 ALA MB 3.150 . 4.500 2.793 2.763 2.819 . 0 0 "[ . 1 . 2]" 1
74 1 12 ALA H 1 72 ILE HB 2.750 . 3.700 3.543 3.235 3.709 0.009 6 0 "[ . 1 . 2]" 1
75 1 12 ALA H 1 72 ILE H 3.150 . 4.500 3.532 3.344 3.902 . 0 0 "[ . 1 . 2]" 1
76 1 12 ALA H 1 73 GLU HA 2.750 . 3.700 2.997 2.813 3.263 . 0 0 "[ . 1 . 2]" 1
77 1 12 ALA H 1 74 VAL H 3.150 . 4.500 4.427 4.274 4.511 0.011 1 0 "[ . 1 . 2]" 1
78 1 13 THR HA 1 13 THR MG 3.150 . 4.500 2.246 2.066 2.405 . 0 0 "[ . 1 . 2]" 1
79 1 13 THR HA 1 14 LEU MD2 3.750 . 5.700 4.281 4.117 4.395 . 0 0 "[ . 1 . 2]" 1
80 1 13 THR HA 1 15 ILE MD 3.750 . 5.700 5.333 5.126 5.641 . 0 0 "[ . 1 . 2]" 1
81 1 13 THR HA 1 72 ILE HB 3.150 . 4.500 3.202 2.877 3.520 . 0 0 "[ . 1 . 2]" 1
82 1 12 ALA HA 1 13 THR H 2.300 . 2.800 2.425 2.307 2.528 . 0 0 "[ . 1 . 2]" 1
83 1 12 ALA MB 1 13 THR H 2.750 . 3.700 2.350 2.130 2.690 . 0 0 "[ . 1 . 2]" 1
84 1 13 THR H 1 13 THR HA 2.750 . 3.700 2.946 2.936 2.949 . 0 0 "[ . 1 . 2]" 1
85 1 13 THR H 1 13 THR HB 2.750 . 3.700 2.887 2.665 3.589 . 0 0 "[ . 1 . 2]" 1
86 1 13 THR H 1 25 LEU MD1 3.750 . 5.700 5.218 2.385 5.703 0.003 15 0 "[ . 1 . 2]" 1
87 1 13 THR H 1 26 MET HB2 3.400 . 5.000 3.187 2.827 3.633 . 0 0 "[ . 1 . 2]" 1
88 1 13 THR H 1 26 MET H 2.750 . 3.700 2.594 2.262 2.930 . 0 0 "[ . 1 . 2]" 1
89 1 13 THR H 1 72 ILE MG 3.150 . 4.500 5.432 5.096 5.749 1.249 13 20 [*****-******+*******] 1
90 1 14 LEU HA 1 14 LEU MD1 3.150 . 4.500 2.505 2.329 2.642 . 0 0 "[ . 1 . 2]" 1
91 1 14 LEU HA 1 25 LEU HA 3.750 . 4.500 2.362 2.212 2.549 . 0 0 "[ . 1 . 2]" 1
92 1 14 LEU HA 1 14 LEU HB3 2.750 . 3.700 2.892 2.869 2.906 . 0 0 "[ . 1 . 2]" 1
93 1 14 LEU HB3 1 14 LEU MD1 3.150 . 3.700 2.263 2.109 2.378 . 0 0 "[ . 1 . 2]" 1
94 1 14 LEU HB3 1 14 LEU MD2 3.150 . 4.500 3.184 3.179 3.191 . 0 0 "[ . 1 . 2]" 1
95 1 14 LEU HB3 1 15 ILE HA 3.750 . 5.700 4.775 4.718 4.824 . 0 0 "[ . 1 . 2]" 1
96 1 14 LEU HB3 1 16 LYS HA 3.150 . 4.500 4.535 4.522 4.545 0.045 6 0 "[ . 1 . 2]" 1
97 1 14 LEU HB2 1 14 LEU MD2 3.150 . 4.500 2.425 2.386 2.478 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU MD1 1 16 LYS HA 3.150 . 4.500 3.180 3.099 3.243 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU MD1 1 66 VAL HB 3.750 . 5.700 4.160 3.697 4.585 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU HA 1 14 LEU MD2 3.150 . 4.500 2.004 1.887 2.060 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU MD2 1 16 LYS HA 3.750 . 5.700 5.707 5.643 5.718 0.018 6 0 "[ . 1 . 2]" 1
102 1 14 LEU MD2 1 25 LEU HB3 3.150 . 4.500 4.216 4.044 4.539 0.039 6 0 "[ . 1 . 2]" 1
103 1 14 LEU MD2 1 66 VAL HB 3.750 . 5.700 2.604 2.044 3.101 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU MD2 1 67 GLU HA 3.750 . 5.700 5.530 5.234 5.709 0.009 20 0 "[ . 1 . 2]" 1
105 1 14 LEU MD2 1 67 GLU HG2 3.750 . 5.700 5.324 4.876 5.697 . 0 0 "[ . 1 . 2]" 1
106 1 13 THR HA 1 14 LEU H 2.300 . 2.800 2.248 2.161 2.410 . 0 0 "[ . 1 . 2]" 1
107 1 13 THR MG 1 14 LEU H 3.150 . 4.500 2.393 1.955 3.345 . 0 0 "[ . 1 . 2]" 1
108 1 13 THR H 1 14 LEU H 3.150 . 4.500 4.417 4.297 4.508 0.008 13 0 "[ . 1 . 2]" 1
109 1 14 LEU H 1 14 LEU HA 2.750 . 3.700 2.850 2.781 2.919 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 14 LEU HB3 2.750 . 3.700 3.158 3.105 3.260 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 14 LEU HB2 2.750 . 3.700 2.123 2.064 2.251 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU H 1 14 LEU MD2 3.150 . 4.500 3.145 2.908 3.387 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU H 1 15 ILE H 3.150 . 4.500 4.358 4.298 4.385 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU H 1 25 LEU MD2 3.150 . 4.500 3.573 2.682 4.506 0.006 6 0 "[ . 1 . 2]" 1
115 1 15 ILE HB 1 16 LYS HB2 3.750 . 5.700 3.499 3.432 3.557 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE HB 1 24 LYS HB3 3.150 . 3.700 2.540 1.958 2.766 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE HB 1 24 LYS HB2 3.750 . 5.700 3.909 3.563 4.028 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 15 ILE HG13 3.750 . 5.700 5.511 5.468 5.560 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE HA 1 15 ILE MG 3.150 . 4.500 2.346 2.247 2.410 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE MG 1 16 LYS HB2 3.150 . 4.500 2.869 2.647 3.086 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE MG 1 24 LYS HB3 3.150 . 4.500 3.683 3.144 3.904 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU MD1 1 15 ILE H 2.750 . 3.700 2.916 2.658 3.168 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU MD2 1 15 ILE H 3.150 . 4.500 3.582 3.493 3.712 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE H 1 15 ILE HA 2.750 . 3.700 2.855 2.841 2.871 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE H 1 15 ILE HB 2.750 . 3.700 2.572 2.517 2.613 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE H 1 16 LYS H 2.750 . 3.700 2.503 2.409 2.563 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE H 1 24 LYS HB3 2.750 . 3.700 3.616 3.384 3.710 0.010 8 0 "[ . 1 . 2]" 1
128 1 15 ILE H 1 25 LEU HA 2.750 . 3.700 2.205 2.052 2.387 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE MG 1 16 LYS HA 3.150 . 4.500 4.380 4.283 4.468 . 0 0 "[ . 1 . 2]" 1
130 1 16 LYS HA 1 16 LYS HB2 2.750 . 3.700 2.892 2.788 2.941 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE MG 1 16 LYS HG2 3.150 . 4.500 4.010 3.647 4.431 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU MD1 1 16 LYS H 3.150 . 4.500 2.240 2.026 2.542 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE HA 1 16 LYS H 2.750 . 3.700 3.528 3.505 3.542 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE HB 1 16 LYS H 2.750 . 3.700 2.565 2.462 2.695 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE MG 1 16 LYS H 2.750 . 3.700 3.550 3.439 3.652 . 0 0 "[ . 1 . 2]" 1
136 1 16 LYS H 1 16 LYS HB2 2.750 . 3.700 3.012 2.984 3.089 . 0 0 "[ . 1 . 2]" 1
137 1 16 LYS H 1 24 LYS HB3 2.750 . 3.700 2.080 1.936 2.587 . 0 0 "[ . 1 . 2]" 1
138 1 16 LYS H 1 24 LYS HB2 2.750 . 3.700 3.583 2.953 3.720 0.020 2 0 "[ . 1 . 2]" 1
139 1 16 LYS H 1 24 LYS H 2.750 . 3.700 3.597 3.434 3.703 0.003 13 0 "[ . 1 . 2]" 1
140 1 16 LYS H 1 25 LEU HA 3.150 . 4.500 4.171 4.030 4.387 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU MD2 1 17 ALA HA 3.150 . 4.500 4.419 4.214 4.516 0.016 10 0 "[ . 1 . 2]" 1
142 1 17 ALA HA 1 23 VAL HA 3.150 . 3.700 3.182 2.883 3.299 . 0 0 "[ . 1 . 2]" 1
143 1 17 ALA HA 1 23 VAL HB 3.150 . 4.500 3.224 2.863 3.611 . 0 0 "[ . 1 . 2]" 1
144 1 17 ALA HA 1 23 VAL MG1 3.150 . 4.500 2.935 2.657 3.198 . 0 0 "[ . 1 . 2]" 1
145 1 17 ALA HA 1 66 VAL MG2 3.750 . 5.700 4.716 4.191 5.152 . 0 0 "[ . 1 . 2]" 1
146 1 17 ALA MB 1 18 ILE HA 3.150 . 4.500 4.288 4.140 4.338 . 0 0 "[ . 1 . 2]" 1
147 1 17 ALA MB 1 23 VAL HA 3.750 . 4.500 4.425 4.163 4.505 0.005 20 0 "[ . 1 . 2]" 1
148 1 17 ALA MB 1 23 VAL MG1 3.150 . 4.500 3.149 2.763 3.378 . 0 0 "[ . 1 . 2]" 1
149 1 17 ALA MB 1 63 LYS HA 3.150 . 4.500 3.613 2.933 4.221 . 0 0 "[ . 1 . 2]" 1
150 1 17 ALA MB 1 63 LYS HB2 3.150 . 4.500 3.149 2.229 4.233 . 0 0 "[ . 1 . 2]" 1
151 1 17 ALA MB 1 63 LYS HG2 3.150 . 4.500 3.024 2.185 4.509 0.009 16 0 "[ . 1 . 2]" 1
152 1 17 ALA MB 1 66 VAL MG2 3.150 . 4.500 3.448 2.942 3.988 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU MD1 1 17 ALA H 3.150 . 4.500 2.980 2.779 3.182 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS HB3 1 17 ALA H 2.750 . 3.700 3.463 3.249 3.708 0.008 3 0 "[ . 1 . 2]" 1
155 1 16 LYS HD3 1 17 ALA H 3.150 . 4.500 3.445 2.367 4.500 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS H 1 17 ALA H 3.150 . 4.500 4.066 3.997 4.143 . 0 0 "[ . 1 . 2]" 1
157 1 17 ALA H 1 17 ALA HA 2.300 . 2.800 2.862 2.861 2.863 0.063 10 0 "[ . 1 . 2]" 1
158 1 17 ALA H 1 17 ALA MB 2.750 . 3.700 2.188 2.064 2.263 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE HA 1 18 ILE HG13 3.150 . 4.500 3.946 3.940 3.955 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE HA 1 18 ILE MG 3.150 . 4.500 2.175 2.120 2.239 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE HA 1 23 VAL HA 3.150 . 4.500 4.484 4.452 4.521 0.021 4 0 "[ . 1 . 2]" 1
162 1 18 ILE HA 1 23 VAL MG1 3.750 . 5.700 4.840 4.580 5.061 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE HB 1 22 THR HB 3.150 . 4.500 2.408 2.003 2.759 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE HB 1 22 THR MG 3.750 . 5.700 3.445 2.579 4.099 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE HA 1 18 ILE MD 3.150 . 4.500 2.774 2.725 2.828 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE MD 1 24 LYS HE3 3.750 . 5.700 3.330 2.150 4.306 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS HB3 1 18 ILE MG 3.750 . 5.700 5.565 5.431 5.704 0.004 15 0 "[ . 1 . 2]" 1
168 1 18 ILE MD 1 18 ILE MG 3.150 . 4.500 1.836 1.801 1.850 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE HG13 1 18 ILE MG 3.150 . 4.500 2.719 2.683 2.762 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE HG12 1 18 ILE MG 3.150 . 4.500 3.125 3.109 3.135 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE MG 1 22 THR HB 3.750 . 5.700 2.849 2.569 3.256 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE MG 1 23 VAL HA 3.750 . 5.700 4.250 4.184 4.387 . 0 0 "[ . 1 . 2]" 1
173 1 17 ALA HA 1 18 ILE H 2.750 . 3.700 2.161 2.145 2.209 . 0 0 "[ . 1 . 2]" 1
174 1 17 ALA MB 1 18 ILE H 3.150 . 4.500 3.105 2.983 3.211 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE H 1 18 ILE HA 2.750 . 3.700 2.915 2.906 2.937 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE H 1 18 ILE HB 2.750 . 3.700 2.829 2.816 2.892 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE H 1 18 ILE HG13 2.750 . 3.700 3.147 3.103 3.248 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE H 1 19 ASP H 2.750 . 3.700 2.727 2.651 2.788 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE H 1 23 VAL HA 2.750 . 3.700 2.117 2.032 2.286 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE H 1 23 VAL MG1 3.150 . 4.500 2.357 2.004 2.545 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE H 1 24 LYS H 2.750 . 3.700 3.204 3.052 3.532 . 0 0 "[ . 1 . 2]" 1
182 1 18 ILE MG 1 19 ASP HA 3.750 . 5.700 4.398 4.317 4.493 . 0 0 "[ . 1 . 2]" 1
183 1 19 ASP HA 1 19 ASP HB3 2.750 . 3.700 2.715 2.454 3.027 . 0 0 "[ . 1 . 2]" 1
184 1 19 ASP HA 1 19 ASP HB2 2.750 . 3.700 2.874 2.415 3.018 . 0 0 "[ . 1 . 2]" 1
185 1 18 ILE MG 1 19 ASP HB3 3.750 . 5.700 4.457 3.478 4.749 . 0 0 "[ . 1 . 2]" 1
186 1 18 ILE HA 1 19 ASP H 2.750 . 3.700 3.562 3.555 3.578 . 0 0 "[ . 1 . 2]" 1
187 1 18 ILE HB 1 19 ASP H 2.750 . 3.700 1.850 1.796 1.909 0.004 16 0 "[ . 1 . 2]" 1
188 1 18 ILE HG13 1 19 ASP H 2.750 . 3.700 3.753 3.747 3.764 0.064 5 0 "[ . 1 . 2]" 1
189 1 18 ILE HG12 1 19 ASP H 2.750 . 3.700 3.731 3.720 3.737 0.037 8 0 "[ . 1 . 2]" 1
190 1 18 ILE MG 1 19 ASP H 3.150 . 4.500 3.257 3.182 3.339 . 0 0 "[ . 1 . 2]" 1
191 1 19 ASP H 1 19 ASP HA 2.750 . 3.700 2.915 2.890 2.933 . 0 0 "[ . 1 . 2]" 1
192 1 19 ASP H 1 19 ASP HB3 3.150 . 4.500 3.603 2.846 3.917 . 0 0 "[ . 1 . 2]" 1
193 1 19 ASP H 1 19 ASP HB2 2.750 . 3.700 2.902 2.687 3.439 . 0 0 "[ . 1 . 2]" 1
194 1 19 ASP H 1 22 THR HB 2.750 . 3.700 3.426 2.904 3.702 0.002 3 0 "[ . 1 . 2]" 1
195 1 19 ASP H 1 22 THR H 2.750 . 3.700 3.693 3.307 3.723 0.023 2 0 "[ . 1 . 2]" 1
196 1 20 GLY HA3 1 41 THR MG 3.750 . 5.700 3.213 2.271 4.279 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLY HA3 1 58 ALA MB 3.750 . 5.700 3.694 2.717 4.541 . 0 0 "[ . 1 . 2]" 1
198 1 20 GLY HA3 1 62 THR HB 3.150 . 4.500 4.140 3.638 4.507 0.007 15 0 "[ . 1 . 2]" 1
199 1 20 GLY HA2 1 23 VAL MG1 3.750 . 5.700 3.770 2.628 4.397 . 0 0 "[ . 1 . 2]" 1
200 1 20 GLY HA2 1 41 THR MG 3.750 . 5.700 4.645 3.704 5.705 0.005 19 0 "[ . 1 . 2]" 1
201 1 20 GLY HA2 1 58 ALA MB 3.750 . 5.700 4.544 3.594 5.351 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLY HA2 1 62 THR HB 3.150 . 4.500 2.767 2.403 3.318 . 0 0 "[ . 1 . 2]" 1
203 1 18 ILE HB 1 20 GLY H 3.150 . 4.500 4.421 3.682 4.508 0.008 13 0 "[ . 1 . 2]" 1
204 1 19 ASP HA 1 20 GLY H 2.750 . 3.700 3.464 3.203 3.503 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASP HB2 1 20 GLY H 2.750 . 3.700 2.547 2.164 3.733 0.033 10 0 "[ . 1 . 2]" 1
206 1 20 GLY H 1 20 GLY HA3 2.750 . 3.700 2.510 2.421 2.941 . 0 0 "[ . 1 . 2]" 1
207 1 20 GLY H 1 20 GLY HA2 2.750 . 3.700 2.926 2.395 2.957 . 0 0 "[ . 1 . 2]" 1
208 1 20 GLY H 1 21 ASP H 3.150 . 3.700 2.821 2.654 3.773 0.073 10 0 "[ . 1 . 2]" 1
209 1 20 GLY H 1 23 VAL MG1 3.750 . 5.700 4.301 2.241 4.911 . 0 0 "[ . 1 . 2]" 1
210 1 20 GLY H 1 41 THR MG 3.750 . 5.700 4.058 3.021 5.221 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLY H 1 59 SER HA 3.150 . 4.500 4.350 3.834 4.508 0.008 17 0 "[ . 1 . 2]" 1
212 1 21 ASP HA 1 36 LEU HB2 3.150 . 4.500 2.091 1.876 2.547 . 0 0 "[ . 1 . 2]" 1
213 1 21 ASP HA 1 36 LEU MD1 3.150 . 4.500 1.972 1.891 2.249 . 0 0 "[ . 1 . 2]" 1
214 1 21 ASP HB3 1 36 LEU HB2 3.750 . 5.700 3.028 1.979 4.420 . 0 0 "[ . 1 . 2]" 1
215 1 21 ASP HB3 1 36 LEU MD1 3.750 . 5.700 3.464 2.440 4.449 . 0 0 "[ . 1 . 2]" 1
216 1 21 ASP HB3 1 41 THR MG 3.750 . 5.700 3.257 2.054 4.833 . 0 0 "[ . 1 . 2]" 1
217 1 19 ASP HB3 1 21 ASP H 3.150 . 4.500 4.407 4.252 4.524 0.024 17 0 "[ . 1 . 2]" 1
218 1 20 GLY HA3 1 21 ASP H 3.150 . 4.500 2.343 2.273 2.391 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLY HA2 1 21 ASP H 2.750 . 3.700 3.525 3.494 3.542 . 0 0 "[ . 1 . 2]" 1
220 1 21 ASP H 1 21 ASP HA 2.750 . 3.700 2.819 2.779 2.836 . 0 0 "[ . 1 . 2]" 1
221 1 21 ASP H 1 21 ASP HB3 3.150 . 4.500 3.054 2.566 3.571 . 0 0 "[ . 1 . 2]" 1
222 1 21 ASP H 1 21 ASP HB2 3.150 . 4.500 2.934 2.101 3.589 . 0 0 "[ . 1 . 2]" 1
223 1 21 ASP H 1 22 THR HA 3.750 . 5.700 5.223 5.129 5.274 . 0 0 "[ . 1 . 2]" 1
224 1 21 ASP H 1 22 THR H 2.750 . 2.800 2.608 2.494 2.670 . 0 0 "[ . 1 . 2]" 1
225 1 21 ASP H 1 36 LEU HB2 3.150 . 4.500 4.559 4.538 4.592 0.092 17 0 "[ . 1 . 2]" 1
226 1 21 ASP H 1 36 LEU MD1 3.750 . 5.700 3.293 2.916 3.767 . 0 0 "[ . 1 . 2]" 1
227 1 21 ASP H 1 41 THR MG 3.150 . 4.500 2.532 1.819 3.754 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE HB 1 22 THR HA 3.750 . 5.700 4.520 4.289 4.788 . 0 0 "[ . 1 . 2]" 1
229 1 22 THR HA 1 23 VAL MG1 3.750 . 5.700 3.922 3.756 4.094 . 0 0 "[ . 1 . 2]" 1
230 1 22 THR HA 1 35 ARG HA 3.150 . 4.500 2.457 2.220 2.916 . 0 0 "[ . 1 . 2]" 1
231 1 22 THR HA 1 35 ARG HG3 3.750 . 5.700 5.397 4.189 5.731 0.031 16 0 "[ . 1 . 2]" 1
232 1 22 THR MG 1 35 ARG HA 3.750 . 5.700 3.713 3.073 4.092 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLY H 1 22 THR H 3.150 . 4.500 2.668 2.520 3.163 . 0 0 "[ . 1 . 2]" 1
234 1 21 ASP HA 1 22 THR H 2.750 . 3.700 3.400 3.344 3.458 . 0 0 "[ . 1 . 2]" 1
235 1 21 ASP HB3 1 22 THR H 3.150 . 4.500 4.071 3.014 4.370 . 0 0 "[ . 1 . 2]" 1
236 1 21 ASP HB2 1 22 THR H 3.150 . 4.500 3.734 3.059 4.236 . 0 0 "[ . 1 . 2]" 1
237 1 22 THR H 1 22 THR HA 2.750 . 3.700 2.936 2.917 2.945 . 0 0 "[ . 1 . 2]" 1
238 1 22 THR H 1 22 THR HB 2.750 . 3.700 3.022 2.645 3.463 . 0 0 "[ . 1 . 2]" 1
239 1 22 THR H 1 22 THR MG 3.150 . 4.500 3.778 3.217 3.925 . 0 0 "[ . 1 . 2]" 1
240 1 22 THR H 1 23 VAL MG1 3.150 . 4.500 3.642 3.360 4.046 . 0 0 "[ . 1 . 2]" 1
241 1 22 THR H 1 23 VAL H 3.150 . 4.500 4.368 4.246 4.492 . 0 0 "[ . 1 . 2]" 1
242 1 18 ILE HB 1 23 VAL HA 3.150 . 4.500 3.167 3.040 3.387 . 0 0 "[ . 1 . 2]" 1
243 1 18 ILE HG13 1 23 VAL HA 3.150 . 4.500 2.227 2.120 2.452 . 0 0 "[ . 1 . 2]" 1
244 1 22 THR HB 1 23 VAL HA 3.750 . 5.700 4.321 4.093 4.629 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL HA 1 23 VAL MG1 3.150 . 4.500 2.214 2.120 2.308 . 0 0 "[ . 1 . 2]" 1
246 1 23 VAL HB 1 25 LEU MD1 3.750 . 5.700 3.964 3.043 5.182 . 0 0 "[ . 1 . 2]" 1
247 1 23 VAL HB 1 92 ILE MD 3.750 . 5.700 4.805 4.387 5.269 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL MG1 1 23 VAL MG2 2.750 . 3.700 2.059 1.947 2.098 . 0 0 "[ . 1 . 2]" 1
249 1 19 ASP H 1 23 VAL H 3.400 . 5.000 5.032 5.013 5.050 0.050 17 0 "[ . 1 . 2]" 1
250 1 22 THR HA 1 23 VAL H 2.300 . 2.800 2.149 2.123 2.165 . 0 0 "[ . 1 . 2]" 1
251 1 22 THR HB 1 23 VAL H 3.150 . 4.500 3.806 3.339 4.128 . 0 0 "[ . 1 . 2]" 1
252 1 23 VAL H 1 23 VAL HA 2.750 . 3.700 2.892 2.887 2.914 . 0 0 "[ . 1 . 2]" 1
253 1 23 VAL H 1 23 VAL HB 3.150 . 4.500 3.924 3.879 3.959 . 0 0 "[ . 1 . 2]" 1
254 1 23 VAL H 1 23 VAL MG1 3.150 . 4.500 3.302 3.198 3.416 . 0 0 "[ . 1 . 2]" 1
255 1 23 VAL H 1 23 VAL MG2 3.150 . 4.500 2.320 2.082 2.533 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL H 1 34 PHE H 3.150 . 4.500 3.305 2.959 3.525 . 0 0 "[ . 1 . 2]" 1
257 1 23 VAL H 1 35 ARG HA 3.150 . 4.500 3.306 2.977 3.950 . 0 0 "[ . 1 . 2]" 1
258 1 15 ILE HB 1 24 LYS HA 3.150 . 4.500 4.450 4.383 4.509 0.009 18 0 "[ . 1 . 2]" 1
259 1 18 ILE MD 1 24 LYS HA 3.750 . 5.700 3.652 3.407 3.836 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE HG13 1 24 LYS HA 3.150 . 4.500 4.521 4.446 4.539 0.039 10 0 "[ . 1 . 2]" 1
261 1 24 LYS HA 1 24 LYS HD2 3.150 . 4.500 3.712 3.495 4.113 . 0 0 "[ . 1 . 2]" 1
262 1 24 LYS HA 1 24 LYS HE3 3.750 . 5.700 4.080 2.785 4.781 . 0 0 "[ . 1 . 2]" 1
263 1 24 LYS HA 1 24 LYS HG3 3.150 . 4.500 2.966 2.784 3.451 . 0 0 "[ . 1 . 2]" 1
264 1 24 LYS HA 1 24 LYS HG2 3.150 . 4.500 3.402 2.037 3.780 . 0 0 "[ . 1 . 2]" 1
265 1 24 LYS HA 1 31 PRO HB2 3.750 . 5.700 5.622 5.369 5.722 0.022 13 0 "[ . 1 . 2]" 1
266 1 24 LYS HA 1 33 THR HA 3.150 . 4.500 2.312 2.140 2.484 . 0 0 "[ . 1 . 2]" 1
267 1 24 LYS HA 1 33 THR HB 3.750 . 5.700 5.140 4.584 5.382 . 0 0 "[ . 1 . 2]" 1
268 1 24 LYS HB2 1 24 LYS HD2 2.750 . 3.700 3.591 3.232 3.707 0.007 18 0 "[ . 1 . 2]" 1
269 1 24 LYS HB2 1 24 LYS HE3 3.150 . 4.500 2.991 1.929 4.508 0.008 13 0 "[ . 1 . 2]" 1
270 1 24 LYS HB2 1 24 LYS HG3 2.750 . 3.700 2.847 2.211 3.011 . 0 0 "[ . 1 . 2]" 1
271 1 24 LYS HB2 1 33 THR HA 3.150 . 4.500 4.153 3.725 4.520 0.020 10 0 "[ . 1 . 2]" 1
272 1 17 ALA HA 1 24 LYS H 2.750 . 3.700 3.048 2.925 3.157 . 0 0 "[ . 1 . 2]" 1
273 1 18 ILE MD 1 24 LYS H 2.750 . 3.700 3.060 2.902 3.175 . 0 0 "[ . 1 . 2]" 1
274 1 18 ILE HG13 1 24 LYS H 2.750 . 3.700 3.330 3.183 3.593 . 0 0 "[ . 1 . 2]" 1
275 1 18 ILE HG12 1 24 LYS H 2.300 . 2.800 2.395 2.316 2.521 . 0 0 "[ . 1 . 2]" 1
276 1 23 VAL HA 1 24 LYS H 2.300 . 2.800 2.248 2.229 2.270 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL H 1 24 LYS H 3.150 . 4.500 4.294 4.257 4.361 . 0 0 "[ . 1 . 2]" 1
278 1 24 LYS H 1 24 LYS HB3 2.750 . 3.700 2.747 2.550 3.292 . 0 0 "[ . 1 . 2]" 1
279 1 24 LYS H 1 24 LYS HB2 2.750 . 3.700 2.517 2.158 2.667 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU HA 1 25 LEU HB3 2.750 . 3.700 2.725 2.580 2.830 . 0 0 "[ . 1 . 2]" 1
281 1 25 LEU HA 1 25 LEU HB2 2.750 . 3.700 2.923 2.860 2.991 . 0 0 "[ . 1 . 2]" 1
282 1 25 LEU HA 1 25 LEU MD1 3.750 . 5.700 3.496 1.945 3.833 . 0 0 "[ . 1 . 2]" 1
283 1 25 LEU HB3 1 34 PHE HD2 3.750 . 5.700 5.465 5.186 5.727 0.027 1 0 "[ . 1 . 2]" 1
284 1 25 LEU HB2 1 34 PHE HE2 3.750 . 5.700 5.343 4.912 5.512 . 0 0 "[ . 1 . 2]" 1
285 1 25 LEU MD1 1 92 ILE MD 3.750 . 5.700 3.413 2.984 5.335 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU HA 1 25 LEU MD2 3.150 . 4.500 2.793 1.960 3.936 . 0 0 "[ . 1 . 2]" 1
287 1 23 VAL MG2 1 25 LEU MD2 3.150 . 4.500 4.129 2.217 4.516 0.016 8 0 "[ . 1 . 2]" 1
288 1 25 LEU HA 1 25 LEU MD2 3.150 . 4.500 2.695 2.083 3.442 . 0 0 "[ . 1 . 2]" 1
289 1 25 LEU MD2 1 34 PHE HB2 3.150 . 4.500 4.340 2.195 4.526 0.026 12 0 "[ . 1 . 2]" 1
290 1 24 LYS HA 1 25 LEU H 2.300 . 2.800 2.171 2.150 2.189 . 0 0 "[ . 1 . 2]" 1
291 1 25 LEU H 1 25 LEU MD1 3.750 . 5.700 3.946 3.106 4.309 . 0 0 "[ . 1 . 2]" 1
292 1 25 LEU H 1 31 PRO HA 3.150 . 4.500 4.520 4.509 4.533 0.033 18 0 "[ . 1 . 2]" 1
293 1 25 LEU H 1 34 PHE HD1 2.750 . 3.700 2.646 2.317 2.850 . 0 0 "[ . 1 . 2]" 1
294 1 26 MET HA 1 26 MET HB3 2.750 . 3.700 3.007 2.998 3.017 . 0 0 "[ . 1 . 2]" 1
295 1 26 MET HA 1 26 MET HG3 3.150 . 4.500 2.246 2.203 2.293 . 0 0 "[ . 1 . 2]" 1
296 1 26 MET HA 1 26 MET HG2 3.150 . 4.500 3.254 3.100 3.453 . 0 0 "[ . 1 . 2]" 1
297 1 26 MET HA 1 31 PRO HB3 3.150 . 4.500 4.479 4.317 4.516 0.016 5 0 "[ . 1 . 2]" 1
298 1 26 MET ME 1 26 MET HG2 3.150 . 4.500 2.717 2.331 3.075 . 0 0 "[ . 1 . 2]" 1
299 1 26 MET HG2 1 29 GLY HA3 3.750 . 5.700 4.854 4.622 5.043 . 0 0 "[ . 1 . 2]" 1
300 1 26 MET HG2 1 29 GLY HA2 3.750 . 5.700 3.189 2.945 3.422 . 0 0 "[ . 1 . 2]" 1
301 1 13 THR HB 1 26 MET H 3.150 . 4.500 3.851 3.432 4.503 0.003 7 0 "[ . 1 . 2]" 1
302 1 15 ILE MD 1 26 MET H 3.750 . 5.700 3.381 3.180 3.513 . 0 0 "[ . 1 . 2]" 1
303 1 15 ILE HG12 1 26 MET H 2.750 . 3.700 2.727 2.555 2.908 . 0 0 "[ . 1 . 2]" 1
304 1 15 ILE H 1 26 MET H 3.150 . 4.500 3.477 3.315 3.669 . 0 0 "[ . 1 . 2]" 1
305 1 25 LEU HA 1 26 MET H 2.750 . 3.700 2.333 2.286 2.342 . 0 0 "[ . 1 . 2]" 1
306 1 25 LEU MD1 1 26 MET H 3.750 . 5.700 4.433 2.174 4.779 . 0 0 "[ . 1 . 2]" 1
307 1 26 MET H 1 26 MET HA 2.750 . 3.700 2.897 2.882 2.908 . 0 0 "[ . 1 . 2]" 1
308 1 26 MET H 1 26 MET HB3 2.750 . 3.700 2.709 2.630 2.770 . 0 0 "[ . 1 . 2]" 1
309 1 26 MET H 1 26 MET HB2 2.750 . 3.700 2.473 2.421 2.535 . 0 0 "[ . 1 . 2]" 1
310 1 27 TYR HA 1 27 TYR HD1 3.150 . 3.700 2.063 1.972 2.475 . 0 0 "[ . 1 . 2]" 1
311 1 27 TYR HA 1 28 LYS HB2 3.150 . 4.500 4.533 4.506 4.568 0.068 7 0 "[ . 1 . 2]" 1
312 1 27 TYR HB3 1 34 PHE HZ 3.150 . 4.500 4.458 4.177 4.508 0.008 8 0 "[ . 1 . 2]" 1
313 1 27 TYR HB3 1 27 TYR HD1 2.750 . 3.700 3.720 3.712 3.732 0.032 13 0 "[ . 1 . 2]" 1
314 1 27 TYR HD1 1 28 LYS HA 3.750 . 5.700 5.038 4.616 5.518 . 0 0 "[ . 1 . 2]" 1
315 1 27 TYR HD1 1 74 VAL MG2 3.150 . 4.500 4.015 3.529 4.441 . 0 0 "[ . 1 . 2]" 1
316 1 27 TYR HB2 1 27 TYR HD2 2.750 . 3.700 3.283 3.220 3.488 . 0 0 "[ . 1 . 2]" 1
317 1 27 TYR HD2 1 28 LYS HD2 3.150 . 4.500 3.970 3.412 4.501 0.001 12 0 "[ . 1 . 2]" 1
318 1 27 TYR HD2 1 28 LYS HG3 3.150 . 4.500 3.893 3.341 4.254 . 0 0 "[ . 1 . 2]" 1
319 1 27 TYR HD2 1 32 MET HB3 3.150 . 4.500 4.280 3.950 4.507 0.007 17 0 "[ . 1 . 2]" 1
320 1 27 TYR HD2 1 32 MET HB2 3.150 . 4.500 3.637 3.305 3.867 . 0 0 "[ . 1 . 2]" 1
321 1 15 ILE HG13 1 27 TYR H 3.150 . 4.500 4.505 4.445 4.514 0.014 10 0 "[ . 1 . 2]" 1
322 1 26 MET HA 1 27 TYR H 2.300 . 2.800 2.136 2.129 2.152 . 0 0 "[ . 1 . 2]" 1
323 1 26 MET HB3 1 27 TYR H 3.150 . 4.500 4.179 4.112 4.291 . 0 0 "[ . 1 . 2]" 1
324 1 26 MET HG3 1 27 TYR H 2.750 . 3.700 3.257 2.982 3.456 . 0 0 "[ . 1 . 2]" 1
325 1 27 TYR H 1 27 TYR HA 2.750 . 3.700 2.942 2.934 2.947 . 0 0 "[ . 1 . 2]" 1
326 1 27 TYR H 1 27 TYR HB3 2.750 . 3.700 2.796 2.710 2.874 . 0 0 "[ . 1 . 2]" 1
327 1 27 TYR H 1 27 TYR HB2 2.750 . 3.700 3.040 2.899 3.172 . 0 0 "[ . 1 . 2]" 1
328 1 27 TYR H 1 27 TYR HD1 3.750 . 5.700 4.766 4.674 5.022 . 0 0 "[ . 1 . 2]" 1
329 1 27 TYR H 1 30 GLN H 2.750 . 3.700 3.012 2.922 3.101 . 0 0 "[ . 1 . 2]" 1
330 1 27 TYR H 1 32 MET H 3.150 . 4.500 3.372 3.254 3.581 . 0 0 "[ . 1 . 2]" 1
331 1 27 TYR H 1 34 PHE HE1 3.150 . 4.500 4.494 4.414 4.512 0.012 13 0 "[ . 1 . 2]" 1
332 1 28 LYS HA 1 28 LYS HG3 3.150 . 4.500 3.006 2.920 3.189 . 0 0 "[ . 1 . 2]" 1
333 1 28 LYS HA 1 28 LYS HG2 3.150 . 3.700 2.503 2.412 2.602 . 0 0 "[ . 1 . 2]" 1
334 1 28 LYS HB2 1 28 LYS HD3 2.300 . 2.800 2.482 2.266 2.714 . 0 0 "[ . 1 . 2]" 1
335 1 28 LYS HD3 1 28 LYS HG3 2.750 . 3.700 2.796 2.478 2.994 . 0 0 "[ . 1 . 2]" 1
336 1 28 LYS HD2 1 28 LYS HG3 2.750 . 3.700 2.272 2.223 2.413 . 0 0 "[ . 1 . 2]" 1
337 1 28 LYS HD2 1 28 LYS HG2 2.750 . 3.700 2.794 2.475 2.992 . 0 0 "[ . 1 . 2]" 1
338 1 27 TYR HA 1 28 LYS H 2.300 . 2.800 2.144 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
339 1 27 TYR HB3 1 28 LYS H 3.150 . 4.500 4.190 4.081 4.294 . 0 0 "[ . 1 . 2]" 1
340 1 27 TYR HB2 1 28 LYS H 3.150 . 4.500 4.376 4.316 4.438 . 0 0 "[ . 1 . 2]" 1
341 1 27 TYR HD1 1 28 LYS H 2.750 . 3.700 3.002 2.674 3.497 . 0 0 "[ . 1 . 2]" 1
342 1 27 TYR HE1 1 28 LYS H 3.750 . 5.700 4.451 4.183 4.803 . 0 0 "[ . 1 . 2]" 1
343 1 28 LYS H 1 28 LYS HA 2.300 . 2.800 2.270 2.264 2.277 . 0 0 "[ . 1 . 2]" 1
344 1 28 LYS H 1 28 LYS HB3 2.900 . 4.000 4.055 4.049 4.064 0.064 14 0 "[ . 1 . 2]" 1
345 1 28 LYS H 1 28 LYS HB2 2.750 . 3.700 3.458 3.406 3.489 . 0 0 "[ . 1 . 2]" 1
346 1 28 LYS H 1 28 LYS HG3 2.750 . 3.700 2.924 2.814 3.068 . 0 0 "[ . 1 . 2]" 1
347 1 28 LYS H 1 28 LYS HG2 2.750 . 3.700 3.603 3.369 3.704 0.004 18 0 "[ . 1 . 2]" 1
348 1 28 LYS H 1 29 GLY H 2.750 . 3.700 2.764 2.739 2.801 . 0 0 "[ . 1 . 2]" 1
349 1 26 MET HG3 1 29 GLY HA3 3.750 . 5.700 5.204 4.925 5.412 . 0 0 "[ . 1 . 2]" 1
350 1 29 GLY HA3 1 30 GLN HB3 3.750 . 5.700 4.501 4.479 4.593 . 0 0 "[ . 1 . 2]" 1
351 1 26 MET HG3 1 29 GLY H 3.150 . 4.500 4.240 3.753 4.483 . 0 0 "[ . 1 . 2]" 1
352 1 27 TYR HA 1 29 GLY H 3.150 . 4.500 3.979 3.858 4.115 . 0 0 "[ . 1 . 2]" 1
353 1 28 LYS HB3 1 29 GLY H 3.150 . 4.500 4.406 4.391 4.428 . 0 0 "[ . 1 . 2]" 1
354 1 28 LYS HG3 1 29 GLY H 3.750 . 5.700 5.059 4.969 5.171 . 0 0 "[ . 1 . 2]" 1
355 1 28 LYS HG2 1 29 GLY H 3.750 . 5.700 5.143 5.023 5.240 . 0 0 "[ . 1 . 2]" 1
356 1 29 GLY H 1 29 GLY HA3 2.300 . 2.800 2.806 2.801 2.815 0.015 4 0 "[ . 1 . 2]" 1
357 1 29 GLY H 1 29 GLY HA2 2.750 . 3.700 2.295 2.293 2.297 . 0 0 "[ . 1 . 2]" 1
358 1 29 GLY H 1 30 GLN H 2.750 . 3.700 2.692 2.668 2.722 . 0 0 "[ . 1 . 2]" 1
359 1 26 MET ME 1 30 GLN HA 3.150 . 4.500 3.823 3.460 4.349 . 0 0 "[ . 1 . 2]" 1
360 1 26 MET HG3 1 30 GLN HA 3.150 . 4.500 4.209 4.027 4.344 . 0 0 "[ . 1 . 2]" 1
361 1 30 GLN HA 1 30 GLN HB3 2.750 . 3.700 2.735 2.616 2.875 . 0 0 "[ . 1 . 2]" 1
362 1 30 GLN HA 1 30 GLN HB2 2.750 . 3.700 2.261 2.235 2.318 . 0 0 "[ . 1 . 2]" 1
363 1 28 LYS HB2 1 30 GLN HB3 2.750 . 3.700 3.714 3.632 3.747 0.047 7 0 "[ . 1 . 2]" 1
364 1 26 MET HA 1 30 GLN H 3.150 . 4.500 4.224 4.122 4.337 . 0 0 "[ . 1 . 2]" 1
365 1 26 MET HG3 1 30 GLN H 2.750 . 3.700 3.488 3.206 3.703 0.003 14 0 "[ . 1 . 2]" 1
366 1 29 GLY HA3 1 30 GLN H 2.750 . 3.700 3.427 3.405 3.441 . 0 0 "[ . 1 . 2]" 1
367 1 29 GLY HA2 1 30 GLN H 2.750 . 3.700 3.092 3.058 3.131 . 0 0 "[ . 1 . 2]" 1
368 1 30 GLN H 1 30 GLN HA 2.750 . 3.700 2.933 2.931 2.935 . 0 0 "[ . 1 . 2]" 1
369 1 30 GLN H 1 30 GLN HB3 2.750 . 3.700 2.794 2.640 2.952 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLN H 1 30 GLN HG2 2.750 . 3.700 3.193 2.946 3.713 0.013 13 0 "[ . 1 . 2]" 1
371 1 31 PRO HA 1 31 PRO HB3 2.750 . 3.700 2.327 2.325 2.332 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLN HA 1 31 PRO HB3 3.150 . 4.500 4.577 4.560 4.596 0.096 14 0 "[ . 1 . 2]" 1
373 1 32 MET HA 1 32 MET HB3 2.750 . 3.700 2.985 2.945 3.006 . 0 0 "[ . 1 . 2]" 1
374 1 32 MET HA 1 32 MET HG3 3.150 . 4.500 2.656 2.386 3.122 . 0 0 "[ . 1 . 2]" 1
375 1 32 MET HB3 1 32 MET HG3 2.750 . 2.800 2.568 2.435 2.849 0.049 17 0 "[ . 1 . 2]" 1
376 1 32 MET HB3 1 34 PHE HE1 3.150 . 4.500 2.152 2.010 2.285 . 0 0 "[ . 1 . 2]" 1
377 1 32 MET HB2 1 34 PHE HE1 3.750 . 5.700 3.376 3.106 3.621 . 0 0 "[ . 1 . 2]" 1
378 1 32 MET HG3 1 34 PHE HE1 3.150 . 4.500 4.400 4.207 4.507 0.007 18 0 "[ . 1 . 2]" 1
379 1 32 MET HA 1 32 MET HG2 3.750 . 5.700 3.505 2.279 3.692 . 0 0 "[ . 1 . 2]" 1
380 1 24 LYS HD3 1 32 MET H 2.750 . 3.700 3.558 2.714 3.725 0.025 2 0 "[ . 1 . 2]" 1
381 1 31 PRO HA 1 32 MET H 2.300 . 2.800 2.146 2.137 2.156 . 0 0 "[ . 1 . 2]" 1
382 1 31 PRO HB2 1 32 MET H 2.750 . 3.700 3.714 3.695 3.740 0.040 13 0 "[ . 1 . 2]" 1
383 1 32 MET H 1 32 MET HA 2.750 . 3.700 2.945 2.943 2.947 . 0 0 "[ . 1 . 2]" 1
384 1 32 MET H 1 32 MET HB2 2.300 . 2.800 2.763 2.645 2.839 0.039 3 0 "[ . 1 . 2]" 1
385 1 32 MET H 1 33 THR H 3.150 . 4.500 4.459 4.426 4.479 . 0 0 "[ . 1 . 2]" 1
386 1 33 THR HA 1 33 THR MG 3.150 . 4.500 2.250 1.987 2.427 . 0 0 "[ . 1 . 2]" 1
387 1 24 LYS HA 1 33 THR H 3.750 . 5.700 4.736 4.526 4.930 . 0 0 "[ . 1 . 2]" 1
388 1 24 LYS HD3 1 33 THR H 3.150 . 4.500 3.739 3.319 4.500 . 0 0 "[ . 1 . 2]" 1
389 1 32 MET HA 1 33 THR H 2.300 . 2.800 2.269 2.215 2.289 . 0 0 "[ . 1 . 2]" 1
390 1 32 MET HB3 1 33 THR H 2.750 . 3.700 3.535 3.361 3.626 . 0 0 "[ . 1 . 2]" 1
391 1 32 MET HG3 1 33 THR H 2.750 . 3.700 2.378 2.034 3.725 0.025 3 0 "[ . 1 . 2]" 1
392 1 33 THR H 1 33 THR HB 2.750 . 3.700 2.933 2.526 3.616 . 0 0 "[ . 1 . 2]" 1
393 1 33 THR H 1 33 THR MG 3.150 . 4.500 3.529 2.606 3.797 . 0 0 "[ . 1 . 2]" 1
394 1 33 THR H 1 34 PHE HD1 3.150 . 4.500 4.523 4.513 4.533 0.033 12 0 "[ . 1 . 2]" 1
395 1 33 THR H 1 87 ARG HA 3.150 . 4.500 4.400 4.196 4.518 0.018 13 0 "[ . 1 . 2]" 1
396 1 33 THR H 1 88 GLY HA3 3.750 . 5.700 5.639 5.338 5.712 0.012 5 0 "[ . 1 . 2]" 1
397 1 33 THR HA 1 34 PHE HA 3.150 . 4.500 4.391 4.382 4.401 . 0 0 "[ . 1 . 2]" 1
398 1 34 PHE HA 1 34 PHE HD1 3.150 . 3.700 3.428 3.353 3.540 . 0 0 "[ . 1 . 2]" 1
399 1 34 PHE HB3 1 34 PHE HD1 3.150 . 4.500 3.716 3.699 3.730 . 0 0 "[ . 1 . 2]" 1
400 1 34 PHE HB3 1 92 ILE MD 3.750 . 5.700 2.839 2.508 3.157 . 0 0 "[ . 1 . 2]" 1
401 1 24 LYS HA 1 34 PHE HD1 3.150 . 4.500 3.969 3.413 4.271 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU HA 1 34 PHE HD1 3.150 . 4.500 4.552 4.516 4.598 0.098 9 0 "[ . 1 . 2]" 1
403 1 32 MET HB3 1 34 PHE HD1 2.750 . 3.700 2.915 2.770 3.156 . 0 0 "[ . 1 . 2]" 1
404 1 34 PHE HB2 1 34 PHE HD1 2.300 . 2.800 2.555 2.505 2.603 . 0 0 "[ . 1 . 2]" 1
405 1 34 PHE HB3 1 34 PHE HD2 2.300 . 2.800 2.323 2.304 2.351 . 0 0 "[ . 1 . 2]" 1
406 1 34 PHE HD2 1 76 PHE HE1 2.750 . 3.700 3.657 3.415 3.721 0.021 2 0 "[ . 1 . 2]" 1
407 1 34 PHE HD2 1 92 ILE MD 3.150 . 4.500 3.808 3.649 4.009 . 0 0 "[ . 1 . 2]" 1
408 1 34 PHE HD2 1 92 ILE HG13 2.750 . 3.700 3.694 3.629 3.717 0.017 4 0 "[ . 1 . 2]" 1
409 1 24 LYS HA 1 34 PHE H 2.750 . 3.700 2.750 2.490 3.136 . 0 0 "[ . 1 . 2]" 1
410 1 33 THR HA 1 34 PHE H 2.300 . 2.800 2.142 2.135 2.166 . 0 0 "[ . 1 . 2]" 1
411 1 33 THR HB 1 34 PHE H 3.150 . 4.500 4.027 3.289 4.321 . 0 0 "[ . 1 . 2]" 1
412 1 33 THR MG 1 34 PHE H 3.150 . 4.500 3.239 2.827 4.124 . 0 0 "[ . 1 . 2]" 1
413 1 34 PHE H 1 34 PHE HB3 2.750 . 3.700 3.554 3.535 3.646 . 0 0 "[ . 1 . 2]" 1
414 1 34 PHE H 1 34 PHE HB2 2.750 . 3.700 2.323 2.298 2.519 . 0 0 "[ . 1 . 2]" 1
415 1 34 PHE H 1 34 PHE HD1 2.750 . 3.700 2.874 2.727 3.239 . 0 0 "[ . 1 . 2]" 1
416 1 34 PHE HZ 1 74 VAL MG1 3.150 . 4.500 3.723 3.446 4.056 . 0 0 "[ . 1 . 2]" 1
417 1 35 ARG HA 1 35 ARG HD3 3.150 . 4.500 3.867 3.436 4.191 . 0 0 "[ . 1 . 2]" 1
418 1 35 ARG HB3 1 35 ARG HG3 2.300 . 2.800 2.686 2.609 2.752 . 0 0 "[ . 1 . 2]" 1
419 1 35 ARG HD3 1 36 LEU HB2 3.150 . 4.500 4.250 3.613 4.505 0.005 10 0 "[ . 1 . 2]" 1
420 1 35 ARG HA 1 35 ARG HD2 3.150 . 4.500 4.347 4.084 4.522 0.022 12 0 "[ . 1 . 2]" 1
421 1 35 ARG HB2 1 35 ARG HD2 3.150 . 4.500 3.253 3.084 3.477 . 0 0 "[ . 1 . 2]" 1
422 1 35 ARG HD2 1 37 LEU MD2 3.750 . 5.700 5.385 5.083 5.709 0.009 14 0 "[ . 1 . 2]" 1
423 1 35 ARG HE 1 35 ARG HG2 2.750 . 3.700 2.804 2.115 3.734 0.034 9 0 "[ . 1 . 2]" 1
424 1 35 ARG HG3 1 89 LEU HA 3.750 . 5.700 3.629 2.527 5.721 0.021 3 0 "[ . 1 . 2]" 1
425 1 22 THR MG 1 35 ARG H 3.750 . 5.700 5.272 4.870 5.702 0.002 14 0 "[ . 1 . 2]" 1
426 1 34 PHE HA 1 35 ARG H 2.300 . 2.800 2.303 2.210 2.354 . 0 0 "[ . 1 . 2]" 1
427 1 34 PHE HB3 1 35 ARG H 3.150 . 4.500 2.819 2.671 3.097 . 0 0 "[ . 1 . 2]" 1
428 1 34 PHE HB2 1 35 ARG H 3.150 . 4.500 4.084 3.992 4.249 . 0 0 "[ . 1 . 2]" 1
429 1 34 PHE HD2 1 35 ARG H 3.150 . 4.500 3.558 3.411 3.723 . 0 0 "[ . 1 . 2]" 1
430 1 35 ARG H 1 35 ARG HB3 2.750 . 3.700 2.797 2.552 2.929 . 0 0 "[ . 1 . 2]" 1
431 1 35 ARG H 1 35 ARG HD3 3.750 . 5.700 4.788 4.297 4.990 . 0 0 "[ . 1 . 2]" 1
432 1 35 ARG H 1 35 ARG HG2 3.150 . 4.500 3.961 3.619 4.526 0.026 4 0 "[ . 1 . 2]" 1
433 1 35 ARG H 1 88 GLY HA2 3.150 . 4.500 4.403 4.205 4.517 0.017 14 0 "[ . 1 . 2]" 1
434 1 35 ARG H 1 89 LEU HA 3.150 . 4.500 4.069 3.805 4.515 0.015 17 0 "[ . 1 . 2]" 1
435 1 35 ARG H 1 90 ALA H 3.750 . 5.700 3.300 3.140 3.557 . 0 0 "[ . 1 . 2]" 1
436 1 36 LEU HA 1 36 LEU MD2 3.150 . 4.500 1.956 1.883 2.065 . 0 0 "[ . 1 . 2]" 1
437 1 36 LEU HB3 1 100 ASN HA 2.750 . 3.700 3.741 3.724 3.763 0.063 10 0 "[ . 1 . 2]" 1
438 1 36 LEU HB3 1 36 LEU MD1 3.150 . 3.700 2.421 2.326 2.494 . 0 0 "[ . 1 . 2]" 1
439 1 36 LEU HB3 1 39 VAL MG1 2.750 . 3.700 2.663 1.958 3.088 . 0 0 "[ . 1 . 2]" 1
440 1 36 LEU HB2 1 103 LEU MD1 3.750 . 5.700 5.201 4.490 5.704 0.004 3 0 "[ . 1 . 2]" 1
441 1 36 LEU HB2 1 36 LEU MD1 2.750 . 3.700 2.262 2.166 2.342 . 0 0 "[ . 1 . 2]" 1
442 1 21 ASP HB2 1 36 LEU MD1 3.750 . 5.700 3.919 3.290 4.517 . 0 0 "[ . 1 . 2]" 1
443 1 36 LEU HA 1 36 LEU MD1 3.150 . 4.500 3.861 3.812 3.908 . 0 0 "[ . 1 . 2]" 1
444 1 36 LEU MD1 1 39 VAL HB 3.150 . 4.500 3.370 3.049 3.883 . 0 0 "[ . 1 . 2]" 1
445 1 36 LEU MD1 1 39 VAL MG2 2.750 . 3.700 3.111 2.227 3.434 . 0 0 "[ . 1 . 2]" 1
446 1 21 ASP HA 1 36 LEU MD2 3.750 . 5.700 3.704 3.565 4.099 . 0 0 "[ . 1 . 2]" 1
447 1 36 LEU HB2 1 36 LEU MD2 2.750 . 3.700 3.194 3.185 3.205 . 0 0 "[ . 1 . 2]" 1
448 1 36 LEU MD2 1 99 VAL HB 3.150 . 4.500 3.193 2.753 3.502 . 0 0 "[ . 1 . 2]" 1
449 1 22 THR HA 1 36 LEU H 3.150 . 4.500 3.798 3.512 4.260 . 0 0 "[ . 1 . 2]" 1
450 1 35 ARG HA 1 36 LEU H 2.750 . 3.700 2.242 2.201 2.265 . 0 0 "[ . 1 . 2]" 1
451 1 36 LEU H 1 36 LEU HB2 2.300 . 2.800 2.432 2.298 2.558 . 0 0 "[ . 1 . 2]" 1
452 1 36 LEU H 1 36 LEU MD2 3.150 . 4.500 3.484 3.248 3.707 . 0 0 "[ . 1 . 2]" 1
453 1 37 LEU HA 1 37 LEU HB3 2.750 . 3.700 2.985 2.961 3.010 . 0 0 "[ . 1 . 2]" 1
454 1 37 LEU HA 1 37 LEU HB2 2.750 . 3.700 2.597 2.468 2.671 . 0 0 "[ . 1 . 2]" 1
455 1 37 LEU HA 1 37 LEU MD1 3.150 . 4.500 2.103 1.918 2.331 . 0 0 "[ . 1 . 2]" 1
456 1 37 LEU HA 1 37 LEU MD2 3.150 . 4.500 3.808 3.761 3.863 . 0 0 "[ . 1 . 2]" 1
457 1 37 LEU HB3 1 38 LEU HG 3.750 . 5.700 3.674 3.080 4.107 . 0 0 "[ . 1 . 2]" 1
458 1 37 LEU HB2 1 38 LEU HG 3.750 . 5.700 5.292 4.727 5.700 0.000 15 0 "[ . 1 . 2]" 1
459 1 37 LEU HB2 1 37 LEU MD2 2.300 . 2.800 2.430 2.271 2.565 . 0 0 "[ . 1 . 2]" 1
460 1 37 LEU HG 1 38 LEU HA 3.150 . 4.500 4.250 3.627 4.517 0.017 14 0 "[ . 1 . 2]" 1
461 1 37 LEU HG 1 38 LEU QD 3.750 . 5.700 1.969 1.803 2.642 . 0 0 "[ . 1 . 2]" 1
462 1 37 LEU HG 1 89 LEU HB3 3.150 . 4.500 4.485 4.394 4.524 0.024 7 0 "[ . 1 . 2]" 1
463 1 37 LEU H 1 100 ASN HD21 3.150 . 4.500 3.140 2.879 3.415 . 0 0 "[ . 1 . 2]" 1
464 1 35 ARG H 1 37 LEU H 3.150 . 4.500 4.529 4.442 4.565 0.065 14 0 "[ . 1 . 2]" 1
465 1 36 LEU HA 1 37 LEU H 2.750 . 3.700 2.305 2.282 2.328 . 0 0 "[ . 1 . 2]" 1
466 1 37 LEU H 1 37 LEU HB3 2.750 . 3.700 2.977 2.821 3.096 . 0 0 "[ . 1 . 2]" 1
467 1 37 LEU H 1 37 LEU HB2 2.750 . 3.700 2.186 2.115 2.335 . 0 0 "[ . 1 . 2]" 1
468 1 37 LEU H 1 37 LEU MD1 3.150 . 4.500 3.483 3.264 3.712 . 0 0 "[ . 1 . 2]" 1
469 1 37 LEU H 1 37 LEU HG 3.150 . 4.500 4.538 4.455 4.590 0.090 13 0 "[ . 1 . 2]" 1
470 1 37 LEU H 1 90 ALA H 2.750 . 3.700 3.577 3.266 3.713 0.013 3 0 "[ . 1 . 2]" 1
471 1 37 LEU H 1 91 TYR HA 3.750 . 5.700 3.473 3.086 3.752 . 0 0 "[ . 1 . 2]" 1
472 1 38 LEU HA 1 114 VAL HA 3.400 . 5.000 4.365 3.854 4.829 . 0 0 "[ . 1 . 2]" 1
473 1 38 LEU HB3 1 114 VAL MG2 3.150 . 4.500 3.351 2.368 4.420 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU MD2 1 38 LEU HB3 3.150 . 4.500 4.242 3.660 4.504 0.004 10 0 "[ . 1 . 2]" 1
475 1 38 LEU HB2 1 111 VAL MG1 3.150 . 4.500 2.945 2.168 3.837 . 0 0 "[ . 1 . 2]" 1
476 1 38 LEU HB2 1 114 VAL MG2 3.750 . 5.700 3.672 3.117 4.314 . 0 0 "[ . 1 . 2]" 1
477 1 38 LEU QD 1 121 HIS HB2 3.750 . 5.700 3.729 3.085 5.232 . 0 0 "[ . 1 . 2]" 1
478 1 38 LEU QD 1 119 ASN HA 3.750 . 5.700 3.641 2.623 4.288 . 0 0 "[ . 1 . 2]" 1
479 1 38 LEU QD 1 122 GLU HA 3.750 . 4.500 2.734 2.213 3.035 . 0 0 "[ . 1 . 2]" 1
480 1 38 LEU HA 1 38 LEU QD 3.750 . 5.700 3.370 3.155 3.441 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU QD 1 39 VAL HA 3.750 . 5.700 4.527 4.360 4.817 . 0 0 "[ . 1 . 2]" 1
482 1 37 LEU HB3 1 38 LEU H 2.750 . 3.700 3.528 1.826 3.743 0.043 18 0 "[ . 1 . 2]" 1
483 1 37 LEU MD2 1 38 LEU H 3.150 . 4.500 4.042 2.948 4.301 . 0 0 "[ . 1 . 2]" 1
484 1 38 LEU H 1 38 LEU HA 2.300 . 2.800 2.349 2.272 2.903 0.103 13 0 "[ . 1 . 2]" 1
485 1 38 LEU H 1 38 LEU HB3 3.150 . 4.500 2.926 2.738 3.115 . 0 0 "[ . 1 . 2]" 1
486 1 38 LEU H 1 38 LEU HB2 3.150 . 4.500 3.897 3.619 3.994 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU H 1 38 LEU QD 3.150 . 4.500 2.799 1.870 3.084 . 0 0 "[ . 1 . 2]" 1
488 1 38 LEU H 1 39 VAL H 3.150 . 3.700 3.141 2.942 3.723 0.023 13 0 "[ . 1 . 2]" 1
489 1 39 VAL HA 1 111 VAL HA 3.150 . 4.500 3.357 2.918 3.928 . 0 0 "[ . 1 . 2]" 1
490 1 39 VAL HA 1 39 VAL MG1 3.150 . 4.500 2.457 2.196 3.204 . 0 0 "[ . 1 . 2]" 1
491 1 39 VAL HA 1 39 VAL MG2 3.150 . 4.500 2.374 2.119 3.196 . 0 0 "[ . 1 . 2]" 1
492 1 21 ASP HA 1 39 VAL MG1 3.750 . 5.700 3.964 2.379 4.565 . 0 0 "[ . 1 . 2]" 1
493 1 39 VAL H 1 112 ALA H 3.150 . 4.500 4.326 3.814 4.510 0.010 4 0 "[ . 1 . 2]" 1
494 1 36 LEU HB2 1 39 VAL H 3.150 . 4.500 4.516 4.400 4.596 0.096 17 0 "[ . 1 . 2]" 1
495 1 38 LEU HA 1 39 VAL H 2.750 . 3.700 2.708 2.365 2.904 . 0 0 "[ . 1 . 2]" 1
496 1 38 LEU HB2 1 39 VAL H 3.150 . 4.500 4.406 4.181 4.505 0.005 15 0 "[ . 1 . 2]" 1
497 1 39 VAL H 1 39 VAL HA 2.750 . 3.700 2.943 2.925 2.951 . 0 0 "[ . 1 . 2]" 1
498 1 39 VAL H 1 39 VAL HB 3.150 . 4.500 2.815 2.619 3.931 . 0 0 "[ . 1 . 2]" 1
499 1 39 VAL H 1 39 VAL MG1 3.150 . 4.500 3.683 2.233 3.941 . 0 0 "[ . 1 . 2]" 1
500 1 39 VAL H 1 39 VAL MG2 3.150 . 4.500 2.981 2.506 3.910 . 0 0 "[ . 1 . 2]" 1
501 1 40 ASP HB2 1 112 ALA MB 3.750 . 4.500 2.457 1.946 3.116 . 0 0 "[ . 1 . 2]" 1
502 1 40 ASP H 1 109 ALA HA 3.150 . 4.500 3.872 3.573 4.245 . 0 0 "[ . 1 . 2]" 1
503 1 40 ASP H 1 109 ALA MB 3.150 . 4.500 2.481 1.960 2.967 . 0 0 "[ . 1 . 2]" 1
504 1 40 ASP H 1 110 LYS H 3.150 . 4.500 2.201 1.954 2.470 . 0 0 "[ . 1 . 2]" 1
505 1 40 ASP H 1 112 ALA H 3.150 . 4.500 4.140 3.617 4.502 0.002 18 0 "[ . 1 . 2]" 1
506 1 39 VAL HA 1 40 ASP H 2.300 . 2.800 2.232 2.203 2.411 . 0 0 "[ . 1 . 2]" 1
507 1 39 VAL HB 1 40 ASP H 3.150 . 4.500 3.902 2.701 4.076 . 0 0 "[ . 1 . 2]" 1
508 1 39 VAL MG1 1 40 ASP H 3.150 . 4.500 2.442 1.995 3.973 . 0 0 "[ . 1 . 2]" 1
509 1 40 ASP H 1 40 ASP HA 2.750 . 3.700 2.938 2.918 2.949 . 0 0 "[ . 1 . 2]" 1
510 1 40 ASP H 1 40 ASP HB3 3.150 . 4.500 3.121 2.890 3.613 . 0 0 "[ . 1 . 2]" 1
511 1 40 ASP H 1 40 ASP HB2 2.750 . 3.700 2.432 2.304 2.811 . 0 0 "[ . 1 . 2]" 1
512 1 41 THR HA 1 109 ALA HA 3.150 . 4.500 3.804 3.009 4.506 0.006 1 0 "[ . 1 . 2]" 1
513 1 40 ASP HA 1 41 THR H 2.300 . 2.800 2.210 2.134 2.280 . 0 0 "[ . 1 . 2]" 1
514 1 40 ASP HB3 1 41 THR H 2.750 . 3.700 3.507 3.240 3.727 0.027 17 0 "[ . 1 . 2]" 1
515 1 41 THR H 1 41 THR HA 2.750 . 3.700 2.932 2.893 2.945 . 0 0 "[ . 1 . 2]" 1
516 1 41 THR H 1 41 THR HB 2.750 . 3.700 3.395 2.933 3.612 . 0 0 "[ . 1 . 2]" 1
517 1 41 THR H 1 41 THR MG 2.750 . 3.700 3.279 2.255 3.719 0.019 1 0 "[ . 1 . 2]" 1
518 1 44 THR HA 1 44 THR MG 3.150 . 4.500 2.607 2.108 3.228 . 0 0 "[ . 1 . 2]" 1
519 1 44 THR MG 1 45 LYS HG2 3.150 . 4.500 4.121 1.972 4.532 0.032 2 0 "[ . 1 . 2]" 1
520 1 44 THR H 1 44 THR HA 2.750 . 3.700 2.802 2.270 2.942 . 0 0 "[ . 1 . 2]" 1
521 1 44 THR H 1 44 THR MG 3.750 . 5.700 3.212 1.954 4.058 . 0 0 "[ . 1 . 2]" 1
522 1 44 THR HA 1 45 LYS H 2.750 . 3.700 2.640 2.161 3.567 . 0 0 "[ . 1 . 2]" 1
523 1 44 THR MG 1 45 LYS H 3.150 . 4.500 3.095 1.911 4.254 . 0 0 "[ . 1 . 2]" 1
524 1 46 HIS HA 1 46 HIS HB2 2.750 . 3.700 2.814 2.613 2.982 . 0 0 "[ . 1 . 2]" 1
525 1 45 LYS HA 1 46 HIS H 2.750 . 3.700 2.977 2.148 3.577 . 0 0 "[ . 1 . 2]" 1
526 1 45 LYS H 1 46 HIS H 2.750 . 3.700 2.826 1.998 3.718 0.018 6 0 "[ . 1 . 2]" 1
527 1 46 HIS H 1 46 HIS HA 2.750 . 3.700 2.734 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
528 1 46 HIS H 1 46 HIS HB2 2.750 . 3.700 2.795 2.097 3.319 . 0 0 "[ . 1 . 2]" 1
529 1 46 HIS HB3 1 47 PRO HA 3.750 . 5.700 4.711 3.869 5.282 . 0 0 "[ . 1 . 2]" 1
530 1 47 PRO HB3 1 51 VAL MG2 3.150 . 4.500 3.427 2.125 4.504 0.004 1 0 "[ . 1 . 2]" 1
531 1 48 LYS HG2 1 49 LYS H 2.750 . 3.700 3.138 1.998 3.703 0.003 6 0 "[ . 1 . 2]" 1
532 1 49 LYS H 1 49 LYS HB2 3.750 . 5.700 2.630 2.171 3.517 . 0 0 "[ . 1 . 2]" 1
533 1 49 LYS H 1 49 LYS HG2 3.150 . 4.500 3.805 2.518 4.509 0.009 11 0 "[ . 1 . 2]" 1
534 1 50 GLY HA3 1 51 VAL MG2 3.750 . 5.700 4.124 3.165 4.801 . 0 0 "[ . 1 . 2]" 1
535 1 48 LYS HA 1 50 GLY H 3.150 . 4.500 4.173 3.381 4.525 0.025 6 0 "[ . 1 . 2]" 1
536 1 51 VAL HA 1 51 VAL MG1 3.150 . 4.500 2.296 2.200 2.431 . 0 0 "[ . 1 . 2]" 1
537 1 51 VAL H 1 51 VAL HA 2.750 . 3.700 2.759 2.277 2.949 . 0 0 "[ . 1 . 2]" 1
538 1 51 VAL H 1 51 VAL MG2 2.750 . 3.700 2.524 2.020 3.292 . 0 0 "[ . 1 . 2]" 1
539 1 52 GLU HA 1 52 GLU HG3 2.750 . 3.700 2.870 2.102 3.577 . 0 0 "[ . 1 . 2]" 1
540 1 52 GLU HB2 1 52 GLU HG3 2.300 . 2.800 2.478 2.223 2.791 . 0 0 "[ . 1 . 2]" 1
541 1 44 THR MG 1 55 GLY HA3 3.750 . 5.700 4.692 2.546 5.704 0.004 2 0 "[ . 1 . 2]" 1
542 1 55 GLY HA3 1 58 ALA MB 3.750 . 5.700 3.125 2.222 4.591 . 0 0 "[ . 1 . 2]" 1
543 1 55 GLY HA2 1 58 ALA MB 3.750 . 5.700 3.943 2.770 5.017 . 0 0 "[ . 1 . 2]" 1
544 1 55 GLY H 1 55 GLY HA3 2.750 . 3.700 2.558 2.295 2.950 . 0 0 "[ . 1 . 2]" 1
545 1 55 GLY H 1 59 SER H 3.150 . 4.500 4.354 3.924 4.565 0.065 8 0 "[ . 1 . 2]" 1
546 1 57 GLU HB2 1 57 GLU HG2 2.300 . 2.800 2.623 2.434 2.811 0.011 6 0 "[ . 1 . 2]" 1
547 1 58 ALA HA 1 108 LEU MD1 3.750 . 5.700 2.368 1.819 3.532 . 0 0 "[ . 1 . 2]" 1
548 1 58 ALA HA 1 108 LEU MD2 2.750 . 3.700 3.301 2.045 3.703 0.003 12 0 "[ . 1 . 2]" 1
549 1 58 ALA HA 1 61 PHE HB3 2.750 . 3.700 3.256 2.888 3.604 . 0 0 "[ . 1 . 2]" 1
550 1 58 ALA HA 1 61 PHE HB2 3.150 . 4.500 4.134 3.781 4.507 0.007 7 0 "[ . 1 . 2]" 1
551 1 58 ALA MB 1 108 LEU MD1 3.750 . 5.700 3.512 2.388 4.345 . 0 0 "[ . 1 . 2]" 1
552 1 58 ALA H 1 108 LEU MD1 3.750 . 5.700 4.469 3.749 5.706 0.006 16 0 "[ . 1 . 2]" 1
553 1 58 ALA H 1 108 LEU MD2 3.150 . 4.500 4.220 3.424 4.511 0.011 4 0 "[ . 1 . 2]" 1
554 1 55 GLY HA2 1 58 ALA H 3.150 . 4.500 4.099 3.573 4.527 0.027 15 0 "[ . 1 . 2]" 1
555 1 57 GLU HB2 1 58 ALA H 3.150 . 4.500 3.181 2.295 3.998 . 0 0 "[ . 1 . 2]" 1
556 1 58 ALA H 1 58 ALA HA 2.750 . 3.700 2.869 2.843 2.881 . 0 0 "[ . 1 . 2]" 1
557 1 58 ALA H 1 58 ALA MB 2.750 . 3.700 2.146 2.097 2.271 . 0 0 "[ . 1 . 2]" 1
558 1 58 ALA H 1 59 SER HB2 3.150 . 4.500 4.492 4.296 4.545 0.045 8 0 "[ . 1 . 2]" 1
559 1 58 ALA H 1 59 SER H 2.750 . 3.700 2.615 2.480 2.752 . 0 0 "[ . 1 . 2]" 1
560 1 41 THR MG 1 59 SER H 3.750 . 5.700 5.429 4.832 5.705 0.005 18 0 "[ . 1 . 2]" 1
561 1 58 ALA MB 1 59 SER H 3.150 . 4.500 2.391 2.193 2.594 . 0 0 "[ . 1 . 2]" 1
562 1 59 SER H 1 59 SER HA 2.750 . 3.700 2.801 2.751 2.858 . 0 0 "[ . 1 . 2]" 1
563 1 59 SER H 1 59 SER HB2 2.750 . 3.700 2.173 2.063 2.376 . 0 0 "[ . 1 . 2]" 1
564 1 59 SER H 1 60 ALA HA 3.750 . 5.700 5.310 5.117 5.474 . 0 0 "[ . 1 . 2]" 1
565 1 59 SER H 1 60 ALA MB 3.750 . 5.700 4.363 4.182 4.552 . 0 0 "[ . 1 . 2]" 1
566 1 59 SER H 1 62 THR H 3.750 . 5.700 5.014 4.800 5.162 . 0 0 "[ . 1 . 2]" 1
567 1 60 ALA MB 1 61 PHE HA 2.750 . 3.700 3.705 3.644 3.730 0.030 4 0 "[ . 1 . 2]" 1
568 1 60 ALA H 1 60 ALA HA 2.300 . 2.800 2.807 2.768 2.842 0.042 16 0 "[ . 1 . 2]" 1
569 1 61 PHE HA 1 108 LEU MD1 3.750 . 5.700 4.269 3.979 4.912 . 0 0 "[ . 1 . 2]" 1
570 1 61 PHE HA 1 61 PHE HD1 3.150 . 4.500 2.779 2.684 2.923 . 0 0 "[ . 1 . 2]" 1
571 1 61 PHE HA 1 64 LYS HB3 2.750 . 3.700 3.027 1.973 3.693 . 0 0 "[ . 1 . 2]" 1
572 1 61 PHE HB3 1 103 LEU MD2 3.750 . 5.700 2.687 2.319 2.903 . 0 0 "[ . 1 . 2]" 1
573 1 61 PHE HB3 1 108 LEU MD1 3.750 . 5.700 2.108 1.890 2.712 . 0 0 "[ . 1 . 2]" 1
574 1 61 PHE HB2 1 108 LEU MD1 3.750 . 5.700 2.405 2.067 3.083 . 0 0 "[ . 1 . 2]" 1
575 1 61 PHE HB2 1 61 PHE HD2 3.150 . 4.500 3.596 3.568 3.634 . 0 0 "[ . 1 . 2]" 1
576 1 61 PHE HB2 1 64 LYS HB2 3.750 . 5.700 4.653 4.430 5.545 . 0 0 "[ . 1 . 2]" 1
577 1 61 PHE HD2 1 103 LEU HA 2.750 . 3.700 3.715 3.705 3.733 0.033 2 0 "[ . 1 . 2]" 1
578 1 61 PHE HD2 1 108 LEU MD1 3.150 . 4.500 2.542 2.229 2.934 . 0 0 "[ . 1 . 2]" 1
579 1 61 PHE HE2 1 102 ALA MB 2.750 . 3.700 1.872 1.825 1.911 . 0 0 "[ . 1 . 2]" 1
580 1 61 PHE HE2 1 103 LEU MD1 3.150 . 4.500 2.779 2.157 3.534 . 0 0 "[ . 1 . 2]" 1
581 1 61 PHE HE2 1 108 LEU MD1 3.150 . 4.500 3.717 3.223 4.195 . 0 0 "[ . 1 . 2]" 1
582 1 61 PHE HE2 1 62 THR HA 3.150 . 4.500 4.525 4.512 4.541 0.041 20 0 "[ . 1 . 2]" 1
583 1 61 PHE H 1 103 LEU MD2 3.150 . 4.500 4.443 4.168 4.515 0.015 15 0 "[ . 1 . 2]" 1
584 1 61 PHE H 1 108 LEU MD1 3.150 . 4.500 3.744 3.244 4.526 0.026 16 0 "[ . 1 . 2]" 1
585 1 60 ALA MB 1 61 PHE H 2.750 . 3.700 2.292 2.189 2.403 . 0 0 "[ . 1 . 2]" 1
586 1 61 PHE H 1 61 PHE HA 2.300 . 2.800 2.764 2.730 2.800 . 0 0 "[ . 1 . 2]" 1
587 1 61 PHE H 1 61 PHE HB3 2.750 . 3.700 2.609 2.564 2.648 . 0 0 "[ . 1 . 2]" 1
588 1 61 PHE H 1 61 PHE HB2 2.750 . 3.700 2.448 2.419 2.478 . 0 0 "[ . 1 . 2]" 1
589 1 61 PHE H 1 61 PHE HD1 3.150 . 4.500 4.536 4.518 4.557 0.057 10 0 "[ . 1 . 2]" 1
590 1 61 PHE H 1 62 THR H 2.750 . 3.700 2.926 2.836 2.993 . 0 0 "[ . 1 . 2]" 1
591 1 61 PHE H 1 63 LYS H 3.150 . 4.500 4.277 4.102 4.502 0.002 15 0 "[ . 1 . 2]" 1
592 1 20 GLY HA2 1 62 THR MG 2.750 . 3.700 2.655 1.954 3.707 0.007 1 0 "[ . 1 . 2]" 1
593 1 62 THR H 1 103 LEU MD2 3.150 . 4.500 2.748 2.403 3.045 . 0 0 "[ . 1 . 2]" 1
594 1 61 PHE HB3 1 62 THR H 2.750 . 3.700 2.302 2.265 2.366 . 0 0 "[ . 1 . 2]" 1
595 1 61 PHE HB2 1 62 THR H 2.750 . 3.700 3.707 3.680 3.745 0.045 6 0 "[ . 1 . 2]" 1
596 1 61 PHE HD2 1 62 THR H 2.750 . 3.700 3.203 3.161 3.281 . 0 0 "[ . 1 . 2]" 1
597 1 62 THR H 1 62 THR HA 2.750 . 3.700 2.760 2.755 2.772 . 0 0 "[ . 1 . 2]" 1
598 1 62 THR H 1 62 THR HB 2.300 . 2.800 2.658 2.367 2.816 0.016 4 0 "[ . 1 . 2]" 1
599 1 62 THR H 1 62 THR MG 3.150 . 4.500 3.668 2.377 3.756 . 0 0 "[ . 1 . 2]" 1
600 1 62 THR H 1 63 LYS H 2.750 . 3.700 2.837 2.760 2.951 . 0 0 "[ . 1 . 2]" 1
601 1 63 LYS HA 1 63 LYS HD2 3.150 . 4.500 4.104 3.836 4.531 0.031 17 0 "[ . 1 . 2]" 1
602 1 63 LYS HA 1 63 LYS HG3 3.150 . 4.500 3.125 2.728 3.501 . 0 0 "[ . 1 . 2]" 1
603 1 63 LYS HA 1 66 VAL MG2 3.150 . 4.500 1.910 1.856 1.957 . 0 0 "[ . 1 . 2]" 1
604 1 63 LYS HG2 1 67 GLU QB 3.150 . 4.500 3.762 3.480 4.128 . 0 0 "[ . 1 . 2]" 1
605 1 62 THR HB 1 63 LYS H 2.750 . 3.700 2.581 2.258 3.725 0.025 12 0 "[ . 1 . 2]" 1
606 1 62 THR MG 1 63 LYS H 3.150 . 4.500 3.501 1.909 3.778 . 0 0 "[ . 1 . 2]" 1
607 1 63 LYS H 1 63 LYS HA 2.750 . 3.700 2.861 2.832 2.876 . 0 0 "[ . 1 . 2]" 1
608 1 63 LYS H 1 63 LYS HB2 2.300 . 2.800 2.514 2.102 2.813 0.013 11 0 "[ . 1 . 2]" 1
609 1 64 LYS HD3 1 64 LYS HG2 2.300 . 2.800 2.355 2.221 2.662 . 0 0 "[ . 1 . 2]" 1
610 1 61 PHE HD1 1 64 LYS HG3 3.150 . 4.500 4.517 4.510 4.529 0.029 20 0 "[ . 1 . 2]" 1
611 1 63 LYS HE2 1 64 LYS H 3.750 . 5.700 5.265 3.739 5.717 0.017 20 0 "[ . 1 . 2]" 1
612 1 63 LYS HG2 1 64 LYS H 3.750 . 5.700 4.489 4.082 4.911 . 0 0 "[ . 1 . 2]" 1
613 1 64 LYS H 1 64 LYS HA 2.300 . 2.800 2.797 2.768 2.812 0.012 15 0 "[ . 1 . 2]" 1
614 1 64 LYS H 1 64 LYS HB2 2.300 . 2.800 2.167 2.034 2.724 . 0 0 "[ . 1 . 2]" 1
615 1 64 LYS H 1 64 LYS HG3 3.150 . 4.500 4.139 3.589 4.522 0.022 6 0 "[ . 1 . 2]" 1
616 1 64 LYS H 1 64 LYS HG2 3.150 . 4.500 3.686 3.005 4.538 0.038 15 0 "[ . 1 . 2]" 1
617 1 64 LYS H 1 65 MET H 2.300 . 2.800 2.780 2.637 2.817 0.017 20 0 "[ . 1 . 2]" 1
618 1 65 MET HA 1 65 MET HB3 2.750 . 3.700 2.647 2.406 2.922 . 0 0 "[ . 1 . 2]" 1
619 1 65 MET HA 1 65 MET HB2 2.750 . 3.700 2.951 2.755 3.021 . 0 0 "[ . 1 . 2]" 1
620 1 65 MET HA 1 65 MET HG2 3.150 . 4.500 2.580 2.073 3.516 . 0 0 "[ . 1 . 2]" 1
621 1 65 MET HA 1 68 ASN HB2 3.150 . 4.500 3.024 2.774 3.348 . 0 0 "[ . 1 . 2]" 1
622 1 62 THR HA 1 65 MET H 3.150 . 4.500 3.899 3.650 4.029 . 0 0 "[ . 1 . 2]" 1
623 1 64 LYS HB3 1 65 MET H 2.300 . 2.800 2.701 2.308 2.817 0.017 19 0 "[ . 1 . 2]" 1
624 1 65 MET H 1 65 MET HA 2.300 . 2.800 2.820 2.769 2.866 0.066 9 0 "[ . 1 . 2]" 1
625 1 65 MET H 1 65 MET HG2 3.150 . 4.500 3.254 2.039 4.502 0.002 2 0 "[ . 1 . 2]" 1
626 1 65 MET H 1 66 VAL MG1 3.150 . 4.500 4.489 4.409 4.510 0.010 3 0 "[ . 1 . 2]" 1
627 1 65 MET H 1 66 VAL MG2 3.150 . 4.500 3.705 3.472 3.904 . 0 0 "[ . 1 . 2]" 1
628 1 65 MET H 1 66 VAL H 2.750 . 3.700 2.761 2.599 2.919 . 0 0 "[ . 1 . 2]" 1
629 1 66 VAL HA 1 66 VAL MG1 3.150 . 4.500 2.301 2.158 2.366 . 0 0 "[ . 1 . 2]" 1
630 1 66 VAL HA 1 66 VAL MG2 3.150 . 4.500 3.187 3.175 3.202 . 0 0 "[ . 1 . 2]" 1
631 1 66 VAL HA 1 69 ALA MB 3.750 . 4.500 2.571 2.190 2.989 . 0 0 "[ . 1 . 2]" 1
632 1 63 LYS HA 1 66 VAL H 3.150 . 4.500 3.677 3.456 3.789 . 0 0 "[ . 1 . 2]" 1
633 1 64 LYS H 1 66 VAL H 3.750 . 5.700 4.398 4.269 4.537 . 0 0 "[ . 1 . 2]" 1
634 1 65 MET HA 1 66 VAL H 3.150 . 4.500 3.572 3.569 3.576 . 0 0 "[ . 1 . 2]" 1
635 1 65 MET HB2 1 66 VAL H 2.750 . 3.700 2.672 2.340 3.284 . 0 0 "[ . 1 . 2]" 1
636 1 66 VAL H 1 66 VAL HA 2.750 . 3.700 2.808 2.788 2.830 . 0 0 "[ . 1 . 2]" 1
637 1 66 VAL H 1 66 VAL HB 2.750 . 3.700 3.612 3.600 3.621 . 0 0 "[ . 1 . 2]" 1
638 1 66 VAL H 1 66 VAL MG1 2.750 . 3.700 2.318 2.184 2.500 . 0 0 "[ . 1 . 2]" 1
639 1 66 VAL H 1 66 VAL MG2 2.750 . 3.700 1.933 1.889 1.959 . 0 0 "[ . 1 . 2]" 1
640 1 66 VAL H 1 67 GLU HG2 3.150 . 4.500 4.514 4.383 4.531 0.031 16 0 "[ . 1 . 2]" 1
641 1 66 VAL H 1 67 GLU H 2.750 . 3.700 2.731 2.651 2.828 . 0 0 "[ . 1 . 2]" 1
642 1 66 VAL H 1 69 ALA MB 3.750 . 5.700 4.356 4.150 4.625 . 0 0 "[ . 1 . 2]" 1
643 1 67 GLU HA 1 68 ASN HA 3.750 . 5.700 4.744 4.723 4.762 . 0 0 "[ . 1 . 2]" 1
644 1 63 LYS HD2 1 67 GLU QB 3.150 . 4.500 3.628 3.110 4.005 . 0 0 "[ . 1 . 2]" 1
645 1 67 GLU QB 1 72 ILE MG 3.150 . 4.500 7.251 7.111 7.433 2.933 8 20 [*******+**********-*] 1
646 1 64 LYS HA 1 67 GLU QB 2.750 . 3.700 3.112 2.860 3.548 . 0 0 "[ . 1 . 2]" 1
647 1 67 GLU QB 1 67 GLU HG3 2.300 . 2.800 2.156 2.150 2.161 . 0 0 "[ . 1 . 2]" 1
648 1 66 VAL MG1 1 67 GLU HG2 3.750 . 5.700 4.878 4.707 4.989 . 0 0 "[ . 1 . 2]" 1
649 1 66 VAL MG2 1 67 GLU HG2 3.750 . 5.700 2.221 1.946 2.429 . 0 0 "[ . 1 . 2]" 1
650 1 67 GLU HA 1 67 GLU HG2 3.150 . 4.500 2.916 2.806 3.135 . 0 0 "[ . 1 . 2]" 1
651 1 66 VAL HA 1 67 GLU H 2.750 . 3.700 3.542 3.514 3.568 . 0 0 "[ . 1 . 2]" 1
652 1 66 VAL MG2 1 67 GLU H 3.150 . 4.500 1.949 1.873 2.069 . 0 0 "[ . 1 . 2]" 1
653 1 67 GLU H 1 67 GLU HA 2.300 . 2.800 2.836 2.799 2.868 0.068 7 0 "[ . 1 . 2]" 1
654 1 67 GLU H 1 67 GLU QB 2.750 . 2.800 2.403 2.369 2.459 . 0 0 "[ . 1 . 2]" 1
655 1 67 GLU H 1 67 GLU HG2 2.750 . 3.700 2.324 2.147 2.479 . 0 0 "[ . 1 . 2]" 1
656 1 67 GLU H 1 68 ASN HD21 3.150 . 4.500 3.947 3.790 4.116 . 0 0 "[ . 1 . 2]" 1
657 1 67 GLU H 1 68 ASN H 2.750 . 3.700 2.653 2.492 2.815 . 0 0 "[ . 1 . 2]" 1
658 1 67 GLU H 1 69 ALA H 3.150 . 4.500 3.840 3.691 3.960 . 0 0 "[ . 1 . 2]" 1
659 1 68 ASN HA 1 68 ASN HB3 2.750 . 3.700 2.592 2.562 2.610 . 0 0 "[ . 1 . 2]" 1
660 1 65 MET HA 1 68 ASN HD21 3.150 . 4.500 4.364 4.206 4.503 0.003 19 0 "[ . 1 . 2]" 1
661 1 68 ASN HA 1 68 ASN HD21 3.150 . 4.500 3.216 2.954 3.516 . 0 0 "[ . 1 . 2]" 1
662 1 68 ASN HB3 1 68 ASN HD21 2.750 . 3.700 3.541 3.518 3.554 . 0 0 "[ . 1 . 2]" 1
663 1 68 ASN H 1 68 ASN HD21 3.150 . 4.500 1.972 1.931 2.012 . 0 0 "[ . 1 . 2]" 1
664 1 68 ASN HD21 1 69 ALA MB 3.750 . 5.700 5.691 5.620 5.723 0.023 4 0 "[ . 1 . 2]" 1
665 1 64 LYS HA 1 68 ASN HD22 3.150 . 4.500 3.114 2.821 3.324 . 0 0 "[ . 1 . 2]" 1
666 1 68 ASN HB2 1 68 ASN HD22 2.750 . 3.700 3.574 3.524 3.626 . 0 0 "[ . 1 . 2]" 1
667 1 66 VAL MG2 1 68 ASN H 3.750 . 5.700 4.215 4.085 4.358 . 0 0 "[ . 1 . 2]" 1
668 1 67 GLU HA 1 68 ASN H 2.750 . 3.700 3.558 3.537 3.570 . 0 0 "[ . 1 . 2]" 1
669 1 67 GLU QB 1 68 ASN H 2.750 . 3.700 2.445 2.340 2.579 . 0 0 "[ . 1 . 2]" 1
670 1 67 GLU HG2 1 68 ASN H 3.150 . 4.500 4.323 4.263 4.381 . 0 0 "[ . 1 . 2]" 1
671 1 68 ASN H 1 68 ASN HA 2.750 . 3.700 2.831 2.823 2.855 . 0 0 "[ . 1 . 2]" 1
672 1 68 ASN H 1 68 ASN HB2 2.900 . 4.000 2.301 2.276 2.345 . 0 0 "[ . 1 . 2]" 1
673 1 68 ASN H 1 69 ALA HA 3.750 . 5.700 5.189 5.129 5.214 . 0 0 "[ . 1 . 2]" 1
674 1 68 ASN H 1 69 ALA MB 3.150 . 4.500 4.221 4.154 4.285 . 0 0 "[ . 1 . 2]" 1
675 1 68 ASN H 1 69 ALA H 2.750 . 3.700 2.572 2.492 2.601 . 0 0 "[ . 1 . 2]" 1
676 1 68 ASN HB2 1 69 ALA HA 3.750 . 5.700 4.590 4.492 4.736 . 0 0 "[ . 1 . 2]" 1
677 1 69 ALA HA 1 94 ALA MB 3.750 . 5.700 3.894 3.805 3.998 . 0 0 "[ . 1 . 2]" 1
678 1 69 ALA MB 1 72 ILE HA 3.750 . 5.700 3.747 3.691 3.875 . 0 0 "[ . 1 . 2]" 1
679 1 69 ALA MB 1 72 ILE MG 3.150 . 4.500 3.988 3.887 4.177 . 0 0 "[ . 1 . 2]" 1
680 1 69 ALA MB 1 94 ALA HA 3.750 . 5.700 2.153 2.067 2.298 . 0 0 "[ . 1 . 2]" 1
681 1 69 ALA MB 1 94 ALA MB 3.150 . 4.500 1.798 1.786 1.821 0.014 5 0 "[ . 1 . 2]" 1
682 1 65 MET HA 1 69 ALA H 3.150 . 4.500 3.881 3.674 4.250 . 0 0 "[ . 1 . 2]" 1
683 1 66 VAL HA 1 69 ALA H 3.150 . 4.500 3.699 3.479 3.870 . 0 0 "[ . 1 . 2]" 1
684 1 66 VAL H 1 69 ALA H 3.750 . 5.700 4.636 4.519 4.840 . 0 0 "[ . 1 . 2]" 1
685 1 68 ASN HA 1 69 ALA H 2.750 . 3.700 3.484 3.419 3.509 . 0 0 "[ . 1 . 2]" 1
686 1 68 ASN HB2 1 69 ALA H 2.750 . 3.700 2.966 2.855 3.230 . 0 0 "[ . 1 . 2]" 1
687 1 69 ALA H 1 69 ALA HA 2.750 . 3.700 2.852 2.824 2.903 . 0 0 "[ . 1 . 2]" 1
688 1 69 ALA H 1 69 ALA MB 2.750 . 3.700 2.165 2.076 2.275 . 0 0 "[ . 1 . 2]" 1
689 1 69 ALA H 1 70 LYS H 3.150 . 4.500 4.464 4.392 4.520 0.020 5 0 "[ . 1 . 2]" 1
690 1 69 ALA H 1 71 LYS H 3.750 . 5.700 5.335 5.211 5.586 . 0 0 "[ . 1 . 2]" 1
691 1 69 ALA H 1 94 ALA HA 3.750 . 5.700 4.927 4.811 5.058 . 0 0 "[ . 1 . 2]" 1
692 1 69 ALA H 1 94 ALA MB 3.150 . 4.500 3.445 3.270 3.627 . 0 0 "[ . 1 . 2]" 1
693 1 70 LYS HA 1 70 LYS HB2 2.750 . 3.700 2.953 2.553 3.022 . 0 0 "[ . 1 . 2]" 1
694 1 70 LYS HA 1 70 LYS HG3 2.750 . 3.700 2.967 2.091 3.687 . 0 0 "[ . 1 . 2]" 1
695 1 69 ALA HA 1 70 LYS H 2.300 . 2.800 2.142 2.136 2.159 . 0 0 "[ . 1 . 2]" 1
696 1 69 ALA MB 1 70 LYS H 3.150 . 4.500 3.233 3.027 3.350 . 0 0 "[ . 1 . 2]" 1
697 1 70 LYS H 1 70 LYS HA 2.750 . 3.700 2.803 2.783 2.852 . 0 0 "[ . 1 . 2]" 1
698 1 70 LYS H 1 70 LYS HB2 2.750 . 3.700 2.337 2.065 3.569 . 0 0 "[ . 1 . 2]" 1
699 1 70 LYS H 1 70 LYS HG3 2.750 . 3.700 2.911 1.974 3.651 . 0 0 "[ . 1 . 2]" 1
700 1 70 LYS H 1 71 LYS H 2.750 . 2.800 2.655 2.502 2.715 . 0 0 "[ . 1 . 2]" 1
701 1 71 LYS HA 1 71 LYS HB3 2.750 . 3.700 2.980 2.972 2.988 . 0 0 "[ . 1 . 2]" 1
702 1 71 LYS HB3 1 71 LYS HE2 3.150 . 4.500 3.574 2.342 4.485 . 0 0 "[ . 1 . 2]" 1
703 1 71 LYS HB3 1 71 LYS HG3 2.750 . 3.700 2.998 2.939 3.011 . 0 0 "[ . 1 . 2]" 1
704 1 71 LYS HB3 1 71 LYS HG2 2.750 . 3.700 2.509 2.372 2.695 . 0 0 "[ . 1 . 2]" 1
705 1 71 LYS HA 1 71 LYS HB2 2.750 . 3.700 2.652 2.632 2.670 . 0 0 "[ . 1 . 2]" 1
706 1 71 LYS HB2 1 71 LYS HG3 2.750 . 3.700 2.387 2.254 2.520 . 0 0 "[ . 1 . 2]" 1
707 1 69 ALA MB 1 71 LYS H 3.150 . 4.500 2.644 2.502 2.911 . 0 0 "[ . 1 . 2]" 1
708 1 70 LYS HB2 1 71 LYS H 2.750 . 3.700 3.219 3.010 3.711 0.011 14 0 "[ . 1 . 2]" 1
709 1 71 LYS H 1 71 LYS HA 2.750 . 3.700 2.931 2.917 2.947 . 0 0 "[ . 1 . 2]" 1
710 1 71 LYS H 1 71 LYS HB3 2.750 . 3.700 3.048 2.977 3.107 . 0 0 "[ . 1 . 2]" 1
711 1 71 LYS H 1 71 LYS HB2 2.750 . 3.700 2.909 2.713 3.013 . 0 0 "[ . 1 . 2]" 1
712 1 71 LYS H 1 95 ASP HA 3.150 . 4.500 3.582 3.340 3.812 . 0 0 "[ . 1 . 2]" 1
713 1 71 LYS H 1 95 ASP H 3.150 . 4.500 3.222 3.006 3.504 . 0 0 "[ . 1 . 2]" 1
714 1 71 LYS HG2 1 72 ILE HA 3.150 . 4.500 4.509 4.505 4.514 0.014 14 0 "[ . 1 . 2]" 1
715 1 72 ILE HA 1 72 ILE MD 3.150 . 4.500 3.195 2.035 3.957 . 0 0 "[ . 1 . 2]" 1
716 1 72 ILE HA 1 72 ILE HG12 3.150 . 4.500 2.955 2.690 3.336 . 0 0 "[ . 1 . 2]" 1
717 1 72 ILE HA 1 72 ILE MG 2.750 . 3.700 2.289 2.262 2.299 . 0 0 "[ . 1 . 2]" 1
718 1 72 ILE HA 1 94 ALA HA 3.150 . 4.500 2.982 2.912 3.097 . 0 0 "[ . 1 . 2]" 1
719 1 14 LEU MD2 1 72 ILE HB 3.150 . 4.500 3.908 3.607 4.421 . 0 0 "[ . 1 . 2]" 1
720 1 69 ALA MB 1 72 ILE HB 3.750 . 5.700 5.464 5.368 5.653 . 0 0 "[ . 1 . 2]" 1
721 1 71 LYS HA 1 72 ILE HB 3.750 . 5.700 4.836 4.812 4.866 . 0 0 "[ . 1 . 2]" 1
722 1 72 ILE HB 1 72 ILE MD 3.150 . 3.700 2.730 2.275 3.226 . 0 0 "[ . 1 . 2]" 1
723 1 72 ILE HB 1 73 GLU HA 3.750 . 5.700 4.434 4.397 4.457 . 0 0 "[ . 1 . 2]" 1
724 1 72 ILE HB 1 92 ILE MG 3.750 . 5.700 3.873 3.823 4.039 . 0 0 "[ . 1 . 2]" 1
725 1 12 ALA MB 1 72 ILE MD 3.150 . 4.500 4.674 3.880 5.735 1.235 15 8 "[ * .-* *1* *+ *]" 1
726 1 13 THR HA 1 72 ILE MD 3.750 . 5.700 3.319 2.126 4.981 . 0 0 "[ . 1 . 2]" 1
727 1 14 LEU MD2 1 72 ILE MD 2.750 . 3.700 2.578 1.734 3.899 0.199 15 0 "[ . 1 . 2]" 1
728 1 25 LEU MD1 1 72 ILE MD 3.150 . 4.500 4.168 3.181 5.377 0.877 15 3 "[ - . *1 + 2]" 1
729 1 66 VAL HA 1 72 ILE MD 3.750 . 5.700 2.715 1.910 3.454 . 0 0 "[ . 1 . 2]" 1
730 1 66 VAL HB 1 72 ILE MD 3.150 . 4.500 2.327 1.922 2.863 . 0 0 "[ . 1 . 2]" 1
731 1 72 ILE MD 1 92 ILE MD 3.150 . 4.500 6.106 5.609 6.527 2.027 9 20 [********+*******-***] 1
732 1 72 ILE MD 1 94 ALA HA 3.150 . 4.500 3.920 2.262 5.074 0.574 19 3 "[ * . 1 - . +2]" 1
733 1 13 THR HA 1 72 ILE MG 3.150 . 4.500 4.431 4.141 4.772 0.272 16 0 "[ . 1 . 2]" 1
734 1 66 VAL HA 1 72 ILE MG 3.150 . 4.500 3.249 3.084 3.455 . 0 0 "[ . 1 . 2]" 1
735 1 66 VAL HB 1 72 ILE MG 3.150 . 4.500 3.357 3.151 3.581 . 0 0 "[ . 1 . 2]" 1
736 1 72 ILE MD 1 72 ILE MG 2.300 . 2.800 2.043 1.782 2.212 0.018 14 0 "[ . 1 . 2]" 1
737 1 72 ILE HG12 1 72 ILE MG 2.750 . 3.700 2.654 2.231 3.198 . 0 0 "[ . 1 . 2]" 1
738 1 72 ILE MG 1 94 ALA HA 3.150 . 4.500 3.584 3.534 3.635 . 0 0 "[ . 1 . 2]" 1
739 1 72 ILE MG 1 94 ALA MB 3.750 . 5.700 3.653 3.572 3.756 . 0 0 "[ . 1 . 2]" 1
740 1 71 LYS HA 1 72 ILE H 2.300 . 2.800 2.202 2.191 2.249 . 0 0 "[ . 1 . 2]" 1
741 1 71 LYS HB3 1 72 ILE H 2.750 . 3.700 3.695 3.585 3.710 0.010 19 0 "[ . 1 . 2]" 1
742 1 71 LYS HG2 1 72 ILE H 2.750 . 3.700 2.509 2.119 2.716 . 0 0 "[ . 1 . 2]" 1
743 1 72 ILE H 1 72 ILE HB 2.300 . 2.800 2.834 2.822 2.846 0.046 9 0 "[ . 1 . 2]" 1
744 1 72 ILE H 1 72 ILE MD 3.150 . 4.500 3.683 3.210 3.975 . 0 0 "[ . 1 . 2]" 1
745 1 72 ILE H 1 72 ILE HG12 2.750 . 3.700 3.109 2.358 3.609 . 0 0 "[ . 1 . 2]" 1
746 1 72 ILE H 1 72 ILE MG 2.750 . 3.700 3.907 3.900 3.917 0.217 17 0 "[ . 1 . 2]" 1
747 1 73 GLU HA 1 73 GLU HB3 2.750 . 3.700 2.343 2.317 2.371 . 0 0 "[ . 1 . 2]" 1
748 1 72 ILE HA 1 73 GLU H 2.300 . 2.800 2.238 2.229 2.248 . 0 0 "[ . 1 . 2]" 1
749 1 72 ILE HB 1 73 GLU H 2.750 . 3.700 3.715 3.700 3.724 0.024 5 0 "[ . 1 . 2]" 1
750 1 73 GLU H 1 73 GLU HG3 3.150 . 4.500 2.667 2.484 2.953 . 0 0 "[ . 1 . 2]" 1
751 1 73 GLU H 1 92 ILE HA 3.150 . 4.500 4.164 4.022 4.239 . 0 0 "[ . 1 . 2]" 1
752 1 73 GLU H 1 92 ILE MG 3.150 . 4.500 3.733 3.625 3.807 . 0 0 "[ . 1 . 2]" 1
753 1 73 GLU H 1 93 TYR HB2 3.150 . 4.500 1.996 1.954 2.136 . 0 0 "[ . 1 . 2]" 1
754 1 73 GLU H 1 93 TYR H 2.750 . 3.700 2.337 2.238 2.412 . 0 0 "[ . 1 . 2]" 1
755 1 74 VAL HA 1 92 ILE HA 3.150 . 4.500 3.053 2.980 3.168 . 0 0 "[ . 1 . 2]" 1
756 1 34 PHE HE2 1 74 VAL HB 3.750 . 5.700 2.291 2.122 2.595 . 0 0 "[ . 1 . 2]" 1
757 1 74 VAL HB 1 76 PHE HE2 3.750 . 5.700 5.183 4.848 5.457 . 0 0 "[ . 1 . 2]" 1
758 1 74 VAL HB 1 90 ALA MB 3.750 . 5.700 2.414 2.319 2.535 . 0 0 "[ . 1 . 2]" 1
759 1 74 VAL HB 1 93 TYR HE1 3.750 . 5.700 5.730 5.723 5.741 0.041 15 0 "[ . 1 . 2]" 1
760 1 74 VAL MG1 1 92 ILE HA 3.750 . 5.700 2.465 2.156 2.817 . 0 0 "[ . 1 . 2]" 1
761 1 25 LEU HB2 1 74 VAL MG2 3.750 . 5.700 4.966 4.493 5.552 . 0 0 "[ . 1 . 2]" 1
762 1 25 LEU MD1 1 74 VAL MG2 3.750 . 5.700 3.742 2.959 4.507 . 0 0 "[ . 1 . 2]" 1
763 1 34 PHE HE2 1 74 VAL MG2 3.150 . 4.500 2.811 2.602 2.995 . 0 0 "[ . 1 . 2]" 1
764 1 73 GLU HA 1 74 VAL MG2 3.750 . 5.700 3.459 3.291 3.546 . 0 0 "[ . 1 . 2]" 1
765 1 11 PRO HA 1 74 VAL H 2.750 . 3.700 3.192 2.808 3.507 . 0 0 "[ . 1 . 2]" 1
766 1 72 ILE MG 1 74 VAL H 3.150 . 4.500 4.791 4.713 4.855 0.355 11 0 "[ . 1 . 2]" 1
767 1 73 GLU HA 1 74 VAL H 2.750 . 3.700 2.223 2.203 2.248 . 0 0 "[ . 1 . 2]" 1
768 1 73 GLU H 1 74 VAL H 3.150 . 4.500 4.426 4.396 4.453 . 0 0 "[ . 1 . 2]" 1
769 1 74 VAL H 1 74 VAL HB 2.750 . 3.700 3.715 3.701 3.738 0.038 12 0 "[ . 1 . 2]" 1
770 1 74 VAL H 1 74 VAL MG1 3.750 . 5.700 3.259 3.197 3.311 . 0 0 "[ . 1 . 2]" 1
771 1 74 VAL H 1 74 VAL MG2 3.150 . 4.500 1.988 1.949 2.138 . 0 0 "[ . 1 . 2]" 1
772 1 75 GLU HA 1 75 GLU HG3 2.750 . 3.700 2.754 2.445 3.339 . 0 0 "[ . 1 . 2]" 1
773 1 75 GLU HA 1 76 PHE HA 3.150 . 4.500 4.425 4.414 4.437 . 0 0 "[ . 1 . 2]" 1
774 1 75 GLU HB3 1 91 TYR QD 3.750 . 5.700 2.008 1.953 2.220 . 0 0 "[ . 1 . 2]" 1
775 1 75 GLU HB3 1 93 TYR QD 3.750 . 5.700 5.207 5.008 5.514 . 0 0 "[ . 1 . 2]" 1
776 1 75 GLU HB2 1 93 TYR QD 3.750 . 5.700 5.003 4.540 5.238 . 0 0 "[ . 1 . 2]" 1
777 1 74 VAL HA 1 75 GLU H 2.300 . 2.800 2.191 2.161 2.219 . 0 0 "[ . 1 . 2]" 1
778 1 74 VAL HB 1 75 GLU H 3.150 . 4.500 2.970 2.838 3.117 . 0 0 "[ . 1 . 2]" 1
779 1 74 VAL MG1 1 75 GLU H 3.150 . 4.500 3.584 3.481 3.673 . 0 0 "[ . 1 . 2]" 1
780 1 74 VAL MG2 1 75 GLU H 3.750 . 5.700 4.048 3.977 4.118 . 0 0 "[ . 1 . 2]" 1
781 1 75 GLU H 1 75 GLU HA 2.750 . 3.700 2.944 2.936 2.949 . 0 0 "[ . 1 . 2]" 1
782 1 75 GLU H 1 75 GLU HB3 2.750 . 3.700 2.726 2.596 3.018 . 0 0 "[ . 1 . 2]" 1
783 1 75 GLU H 1 75 GLU HB2 2.750 . 3.700 3.099 2.806 3.223 . 0 0 "[ . 1 . 2]" 1
784 1 75 GLU H 1 75 GLU HG2 3.150 . 4.500 4.496 4.414 4.534 0.034 12 0 "[ . 1 . 2]" 1
785 1 75 GLU H 1 90 ALA MB 3.150 . 4.500 1.990 1.942 2.196 . 0 0 "[ . 1 . 2]" 1
786 1 75 GLU H 1 91 TYR QB 3.150 . 4.500 3.551 3.356 3.760 . 0 0 "[ . 1 . 2]" 1
787 1 75 GLU H 1 93 TYR QD 3.150 . 4.500 4.341 4.231 4.430 . 0 0 "[ . 1 . 2]" 1
788 1 37 LEU MD1 1 76 PHE HA 3.750 . 5.700 4.779 4.268 5.268 . 0 0 "[ . 1 . 2]" 1
789 1 76 PHE HA 1 76 PHE HD1 3.150 . 4.500 2.203 2.142 2.307 . 0 0 "[ . 1 . 2]" 1
790 1 76 PHE HA 1 90 ALA MB 3.750 . 5.700 1.854 1.809 1.888 . 0 0 "[ . 1 . 2]" 1
791 1 76 PHE HB3 1 76 PHE HD1 3.150 . 4.500 2.805 2.741 2.861 . 0 0 "[ . 1 . 2]" 1
792 1 76 PHE HB2 1 76 PHE HD1 3.150 . 4.500 3.741 3.735 3.747 . 0 0 "[ . 1 . 2]" 1
793 1 76 PHE HB2 1 76 PHE HE1 3.750 . 5.700 5.468 5.463 5.471 . 0 0 "[ . 1 . 2]" 1
794 1 76 PHE HB2 1 81 ARG HB2 3.750 . 5.700 5.388 4.844 5.707 0.007 9 0 "[ . 1 . 2]" 1
795 1 76 PHE HB2 1 81 ARG HG2 3.750 . 5.700 4.200 3.517 4.688 . 0 0 "[ . 1 . 2]" 1
796 1 34 PHE HE2 1 76 PHE HD1 3.150 . 4.500 4.027 3.836 4.132 . 0 0 "[ . 1 . 2]" 1
797 1 74 VAL MG1 1 76 PHE HD1 3.750 . 5.700 5.721 5.713 5.735 0.035 19 0 "[ . 1 . 2]" 1
798 1 74 VAL MG2 1 76 PHE HD1 3.750 . 5.700 5.705 5.645 5.719 0.019 8 0 "[ . 1 . 2]" 1
799 1 76 PHE HD1 1 81 ARG HA 2.750 . 3.700 3.667 3.477 3.736 0.036 19 0 "[ . 1 . 2]" 1
800 1 76 PHE HD1 1 89 LEU MD2 3.150 . 4.500 4.522 4.508 4.542 0.042 7 0 "[ . 1 . 2]" 1
801 1 34 PHE HZ 1 76 PHE HE1 2.750 . 3.700 3.713 3.702 3.725 0.025 15 0 "[ . 1 . 2]" 1
802 1 74 VAL MG1 1 76 PHE HE1 3.750 . 5.700 4.880 4.806 4.966 . 0 0 "[ . 1 . 2]" 1
803 1 74 VAL MG2 1 76 PHE HE1 3.750 . 5.700 5.003 4.863 5.102 . 0 0 "[ . 1 . 2]" 1
804 1 76 PHE HE1 1 88 GLY HA3 3.150 . 4.500 2.814 2.340 3.199 . 0 0 "[ . 1 . 2]" 1
805 1 76 PHE HE1 1 88 GLY HA2 3.150 . 4.500 2.331 2.103 2.612 . 0 0 "[ . 1 . 2]" 1
806 1 76 PHE HE1 1 89 LEU MD2 3.150 . 4.500 4.515 4.502 4.528 0.028 15 0 "[ . 1 . 2]" 1
807 1 75 GLU HA 1 76 PHE H 2.300 . 2.800 2.166 2.155 2.176 . 0 0 "[ . 1 . 2]" 1
808 1 75 GLU HB3 1 76 PHE H 3.150 . 4.500 4.372 4.182 4.437 . 0 0 "[ . 1 . 2]" 1
809 1 75 GLU HG2 1 76 PHE H 3.150 . 4.500 3.706 3.081 4.382 . 0 0 "[ . 1 . 2]" 1
810 1 76 PHE H 1 76 PHE HA 2.750 . 3.700 2.852 2.848 2.855 . 0 0 "[ . 1 . 2]" 1
811 1 76 PHE H 1 76 PHE HB3 2.750 . 3.700 3.573 3.565 3.582 . 0 0 "[ . 1 . 2]" 1
812 1 76 PHE H 1 76 PHE HB2 2.750 . 3.700 2.350 2.322 2.376 . 0 0 "[ . 1 . 2]" 1
813 1 76 PHE H 1 76 PHE HD2 2.750 . 3.700 3.292 3.150 3.407 . 0 0 "[ . 1 . 2]" 1
814 1 76 PHE H 1 76 PHE HE2 3.750 . 5.700 5.096 4.987 5.192 . 0 0 "[ . 1 . 2]" 1
815 1 76 PHE H 1 90 ALA MB 3.150 . 4.500 2.998 2.823 3.072 . 0 0 "[ . 1 . 2]" 1
816 1 37 LEU MD1 1 77 ASP HA 3.750 . 5.700 5.067 4.708 5.527 . 0 0 "[ . 1 . 2]" 1
817 1 77 ASP HA 1 78 LYS HB3 3.750 . 5.700 5.148 4.886 5.659 . 0 0 "[ . 1 . 2]" 1
818 1 77 ASP HA 1 78 LYS HG2 2.900 . 4.000 3.907 3.418 4.040 0.040 7 0 "[ . 1 . 2]" 1
819 1 37 LEU MD1 1 77 ASP HB3 3.750 . 5.700 3.070 2.615 3.514 . 0 0 "[ . 1 . 2]" 1
820 1 77 ASP HB2 1 78 LYS HG2 3.150 . 4.500 3.349 3.035 4.173 . 0 0 "[ . 1 . 2]" 1
821 1 77 ASP HB3 1 81 ARG HA 3.750 . 5.700 4.276 3.942 4.865 . 0 0 "[ . 1 . 2]" 1
822 1 77 ASP HB3 1 81 ARG HG2 3.150 . 4.500 4.405 3.956 4.554 0.054 19 0 "[ . 1 . 2]" 1
823 1 77 ASP HB3 1 89 LEU HB3 2.900 . 4.000 3.522 3.218 3.878 . 0 0 "[ . 1 . 2]" 1
824 1 37 LEU MD1 1 77 ASP HB2 3.750 . 5.700 4.357 3.908 4.905 . 0 0 "[ . 1 . 2]" 1
825 1 77 ASP HB3 1 78 LYS HG2 3.750 . 5.700 4.951 4.739 5.358 . 0 0 "[ . 1 . 2]" 1
826 1 76 PHE HB3 1 77 ASP H 2.750 . 3.700 2.928 2.589 3.219 . 0 0 "[ . 1 . 2]" 1
827 1 76 PHE HB2 1 77 ASP H 3.150 . 4.500 4.058 3.832 4.241 . 0 0 "[ . 1 . 2]" 1
828 1 76 PHE HD1 1 77 ASP H 3.150 . 4.500 3.439 3.343 3.567 . 0 0 "[ . 1 . 2]" 1
829 1 76 PHE H 1 77 ASP H 3.150 . 4.500 4.564 4.525 4.586 0.086 6 0 "[ . 1 . 2]" 1
830 1 77 ASP H 1 77 ASP HA 2.750 . 3.700 2.789 2.756 2.845 . 0 0 "[ . 1 . 2]" 1
831 1 77 ASP H 1 77 ASP HB2 2.750 . 3.700 3.587 3.574 3.602 . 0 0 "[ . 1 . 2]" 1
832 1 78 LYS HA 1 78 LYS HB2 2.750 . 3.700 2.781 2.646 3.010 . 0 0 "[ . 1 . 2]" 1
833 1 78 LYS HA 1 78 LYS HD2 2.750 . 3.700 3.270 2.488 3.718 0.018 2 0 "[ . 1 . 2]" 1
834 1 78 LYS HA 1 78 LYS HG2 2.900 . 4.000 3.562 3.368 3.625 . 0 0 "[ . 1 . 2]" 1
835 1 78 LYS H 1 120 THR HG1 3.150 . 4.500 3.856 3.061 4.327 . 0 0 "[ . 1 . 2]" 1
836 1 77 ASP HA 1 78 LYS H 2.750 . 3.700 2.686 2.300 2.814 . 0 0 "[ . 1 . 2]" 1
837 1 77 ASP HB3 1 78 LYS H 3.150 . 4.500 3.516 3.424 3.830 . 0 0 "[ . 1 . 2]" 1
838 1 77 ASP HB2 1 78 LYS H 2.750 . 3.700 1.988 1.846 2.553 . 0 0 "[ . 1 . 2]" 1
839 1 78 LYS H 1 78 LYS HA 2.750 . 3.700 2.928 2.828 2.946 . 0 0 "[ . 1 . 2]" 1
840 1 78 LYS H 1 78 LYS HB3 2.750 . 3.700 3.466 2.981 3.725 0.025 6 0 "[ . 1 . 2]" 1
841 1 78 LYS H 1 78 LYS HD2 3.150 . 4.500 3.347 2.501 4.518 0.018 6 0 "[ . 1 . 2]" 1
842 1 78 LYS H 1 79 GLY H 2.750 . 3.700 2.097 1.895 2.584 . 0 0 "[ . 1 . 2]" 1
843 1 79 GLY HA3 1 81 ARG HG3 3.750 . 5.700 4.950 4.625 5.479 . 0 0 "[ . 1 . 2]" 1
844 1 78 LYS HB2 1 79 GLY HA2 3.150 . 4.500 4.151 3.977 4.494 . 0 0 "[ . 1 . 2]" 1
845 1 79 GLY HA2 1 81 ARG HG3 3.750 . 5.700 4.724 4.285 5.435 . 0 0 "[ . 1 . 2]" 1
846 1 79 GLY H 1 118 ASN HA 2.750 . 3.700 2.970 2.422 3.704 0.004 8 0 "[ . 1 . 2]" 1
847 1 79 GLY H 1 118 ASN HD22 3.150 . 4.500 4.373 3.970 4.525 0.025 13 0 "[ . 1 . 2]" 1
848 1 77 ASP HB3 1 79 GLY H 3.150 . 4.500 4.290 4.118 4.521 0.021 18 0 "[ . 1 . 2]" 1
849 1 77 ASP HB2 1 79 GLY H 2.750 . 3.700 2.759 2.609 3.012 . 0 0 "[ . 1 . 2]" 1
850 1 78 LYS HB2 1 79 GLY H 2.750 . 3.700 3.522 3.193 3.721 0.021 6 0 "[ . 1 . 2]" 1
851 1 78 LYS HD3 1 79 GLY H 3.150 . 4.500 4.502 4.301 4.548 0.048 6 0 "[ . 1 . 2]" 1
852 1 79 GLY H 1 79 GLY HA3 2.750 . 3.700 2.343 2.302 2.430 . 0 0 "[ . 1 . 2]" 1
853 1 79 GLY H 1 79 GLY HA2 2.750 . 3.700 2.903 2.848 2.951 . 0 0 "[ . 1 . 2]" 1
854 1 79 GLY H 1 81 ARG HG3 3.150 . 4.500 4.221 3.680 4.519 0.019 7 0 "[ . 1 . 2]" 1
855 1 80 GLN HA 1 80 GLN HB3 2.750 . 3.700 2.636 2.298 2.938 . 0 0 "[ . 1 . 2]" 1
856 1 80 GLN HA 1 80 GLN HG3 3.150 . 4.500 3.222 2.216 4.174 . 0 0 "[ . 1 . 2]" 1
857 1 80 GLN HA 1 80 GLN HB2 2.750 . 3.700 2.607 2.407 2.890 . 0 0 "[ . 1 . 2]" 1
858 1 80 GLN HE21 1 80 GLN HG2 2.750 . 3.700 3.052 2.364 3.552 . 0 0 "[ . 1 . 2]" 1
859 1 80 GLN HE22 1 80 GLN HG3 2.750 . 3.700 3.554 3.440 3.700 0.000 15 0 "[ . 1 . 2]" 1
860 1 80 GLN H 1 118 ASN HD22 2.750 . 3.700 3.274 2.515 3.713 0.013 2 0 "[ . 1 . 2]" 1
861 1 79 GLY HA3 1 80 GLN H 2.750 . 3.700 2.207 2.125 2.418 . 0 0 "[ . 1 . 2]" 1
862 1 79 GLY HA2 1 80 GLN H 2.750 . 3.700 3.393 3.148 3.552 . 0 0 "[ . 1 . 2]" 1
863 1 80 GLN H 1 80 GLN HA 2.750 . 3.700 2.820 2.699 2.935 . 0 0 "[ . 1 . 2]" 1
864 1 80 GLN H 1 80 GLN HB2 2.750 . 3.700 2.933 2.059 3.700 0.000 15 0 "[ . 1 . 2]" 1
865 1 80 GLN H 1 80 GLN HG3 2.750 . 3.700 3.538 3.325 3.759 0.059 12 0 "[ . 1 . 2]" 1
866 1 80 GLN H 1 89 LEU MD1 3.750 . 5.700 5.536 5.125 5.714 0.014 19 0 "[ . 1 . 2]" 1
867 1 80 GLN HG2 1 81 ARG HA 3.750 . 5.700 4.775 4.057 5.714 0.014 5 0 "[ . 1 . 2]" 1
868 1 81 ARG HA 1 81 ARG HB2 2.750 . 3.700 3.018 3.012 3.024 . 0 0 "[ . 1 . 2]" 1
869 1 81 ARG HA 1 81 ARG HG2 3.150 . 4.500 2.564 2.406 2.723 . 0 0 "[ . 1 . 2]" 1
870 1 81 ARG HB3 1 81 ARG HD3 3.150 . 4.500 3.308 2.914 3.748 . 0 0 "[ . 1 . 2]" 1
871 1 81 ARG HB3 1 82 THR MG 3.150 . 4.500 3.658 3.493 3.784 . 0 0 "[ . 1 . 2]" 1
872 1 81 ARG HB3 1 81 ARG HD2 2.750 . 3.700 2.491 1.987 3.704 0.004 15 0 "[ . 1 . 2]" 1
873 1 81 ARG HB2 1 81 ARG HE 2.750 . 3.700 3.173 1.999 3.717 0.017 5 0 "[ . 1 . 2]" 1
874 1 81 ARG HD3 1 81 ARG HE 2.750 . 3.700 2.749 2.324 2.891 . 0 0 "[ . 1 . 2]" 1
875 1 81 ARG HE 1 81 ARG HG2 2.750 . 3.700 3.329 2.571 3.721 0.021 5 0 "[ . 1 . 2]" 1
876 1 81 ARG HB2 1 81 ARG HG3 2.300 . 2.800 2.378 2.246 2.516 . 0 0 "[ . 1 . 2]" 1
877 1 80 GLN HA 1 81 ARG H 2.900 . 4.000 3.336 2.125 3.568 . 0 0 "[ . 1 . 2]" 1
878 1 80 GLN HB3 1 81 ARG H 2.750 . 3.700 3.154 1.770 3.763 0.063 6 0 "[ . 1 . 2]" 1
879 1 80 GLN HG2 1 81 ARG H 2.750 . 3.700 2.757 1.932 3.771 0.071 12 0 "[ . 1 . 2]" 1
880 1 81 ARG H 1 81 ARG HA 2.750 . 3.700 2.384 2.277 2.929 . 0 0 "[ . 1 . 2]" 1
881 1 81 ARG H 1 81 ARG HB2 2.750 . 3.700 3.534 2.462 3.749 0.049 14 0 "[ . 1 . 2]" 1
882 1 81 ARG H 1 81 ARG HG3 3.150 . 4.500 3.258 2.615 3.766 . 0 0 "[ . 1 . 2]" 1
883 1 81 ARG H 1 82 THR H 2.750 . 2.800 2.690 2.341 2.808 0.008 3 0 "[ . 1 . 2]" 1
884 1 82 THR HA 1 82 THR MG 3.150 . 4.500 2.148 2.083 2.286 . 0 0 "[ . 1 . 2]" 1
885 1 82 THR HA 1 88 GLY HA3 3.750 . 5.700 5.638 5.453 5.712 0.012 8 0 "[ . 1 . 2]" 1
886 1 82 THR HA 1 88 GLY HA2 3.150 . 4.500 4.054 3.852 4.145 . 0 0 "[ . 1 . 2]" 1
887 1 82 THR HA 1 89 LEU MD1 3.750 . 5.700 4.462 4.322 4.588 . 0 0 "[ . 1 . 2]" 1
888 1 82 THR HA 1 89 LEU HG 3.150 . 4.500 3.429 3.155 3.715 . 0 0 "[ . 1 . 2]" 1
889 1 80 GLN HA 1 82 THR H 2.750 . 3.700 3.665 3.414 3.772 0.072 6 0 "[ . 1 . 2]" 1
890 1 80 GLN HB3 1 82 THR H 3.150 . 4.500 3.503 2.592 4.078 . 0 0 "[ . 1 . 2]" 1
891 1 80 GLN HG2 1 82 THR H 3.150 . 4.500 3.307 2.620 4.138 . 0 0 "[ . 1 . 2]" 1
892 1 81 ARG HA 1 82 THR H 3.150 . 4.500 3.355 3.194 3.431 . 0 0 "[ . 1 . 2]" 1
893 1 81 ARG HB2 1 82 THR H 2.750 . 3.700 3.384 3.159 3.719 0.019 5 0 "[ . 1 . 2]" 1
894 1 82 THR H 1 82 THR HA 2.750 . 3.700 2.863 2.844 2.917 . 0 0 "[ . 1 . 2]" 1
895 1 82 THR H 1 82 THR HB 3.150 . 4.500 3.840 3.753 3.876 . 0 0 "[ . 1 . 2]" 1
896 1 82 THR H 1 82 THR MG 3.150 . 4.500 3.599 3.444 3.682 . 0 0 "[ . 1 . 2]" 1
897 1 82 THR H 1 89 LEU MD1 3.750 . 5.700 4.694 4.385 5.001 . 0 0 "[ . 1 . 2]" 1
898 1 82 THR H 1 89 LEU HG 2.750 . 3.700 3.189 2.817 3.552 . 0 0 "[ . 1 . 2]" 1
899 1 83 ASP HA 1 89 LEU MD1 3.750 . 5.700 4.674 3.992 5.022 . 0 0 "[ . 1 . 2]" 1
900 1 83 ASP HB2 1 87 ARG HB2 3.150 . 4.500 3.127 2.517 4.521 0.021 10 0 "[ . 1 . 2]" 1
901 1 83 ASP HB2 1 89 LEU MD1 3.750 . 5.700 3.895 3.352 4.781 . 0 0 "[ . 1 . 2]" 1
902 1 83 ASP HB2 1 89 LEU HG 3.750 . 5.700 4.642 4.123 5.636 . 0 0 "[ . 1 . 2]" 1
903 1 82 THR HA 1 83 ASP H 2.300 . 2.800 2.138 2.121 2.165 . 0 0 "[ . 1 . 2]" 1
904 1 82 THR MG 1 83 ASP H 2.750 . 3.700 3.708 3.657 3.726 0.026 7 0 "[ . 1 . 2]" 1
905 1 83 ASP H 1 83 ASP HA 2.750 . 3.700 2.867 2.827 2.904 . 0 0 "[ . 1 . 2]" 1
906 1 83 ASP H 1 83 ASP HB2 2.750 . 3.700 2.303 2.105 3.586 . 0 0 "[ . 1 . 2]" 1
907 1 83 ASP H 1 89 LEU MD1 3.150 . 4.500 4.035 3.865 4.129 . 0 0 "[ . 1 . 2]" 1
908 1 83 ASP H 1 89 LEU HG 2.750 . 3.700 3.676 3.423 3.723 0.023 7 0 "[ . 1 . 2]" 1
909 1 84 LYS HA 1 84 LYS HB3 2.750 . 3.700 2.246 2.235 2.258 . 0 0 "[ . 1 . 2]" 1
910 1 84 LYS HA 1 84 LYS HB2 2.750 . 3.700 2.740 2.703 2.864 . 0 0 "[ . 1 . 2]" 1
911 1 84 LYS HA 1 84 LYS HG3 3.150 . 4.500 4.212 4.143 4.219 . 0 0 "[ . 1 . 2]" 1
912 1 84 LYS HD2 1 84 LYS HG3 2.750 . 3.700 2.734 2.330 3.019 . 0 0 "[ . 1 . 2]" 1
913 1 84 LYS HD2 1 84 LYS HG2 2.750 . 3.700 2.824 2.464 3.017 . 0 0 "[ . 1 . 2]" 1
914 1 84 LYS HD3 1 84 LYS HG3 2.750 . 3.700 2.824 2.461 3.019 . 0 0 "[ . 1 . 2]" 1
915 1 83 ASP HB3 1 84 LYS H 2.750 . 3.700 2.221 1.913 3.409 . 0 0 "[ . 1 . 2]" 1
916 1 83 ASP HB2 1 84 LYS H 2.750 . 3.700 3.328 1.907 3.701 0.001 20 0 "[ . 1 . 2]" 1
917 1 83 ASP H 1 84 LYS H 3.150 . 4.500 4.419 3.473 4.506 0.006 4 0 "[ . 1 . 2]" 1
918 1 84 LYS H 1 84 LYS HA 2.750 . 3.700 2.731 2.705 2.947 . 0 0 "[ . 1 . 2]" 1
919 1 84 LYS H 1 84 LYS HB3 2.750 . 3.700 3.100 2.989 3.705 0.005 8 0 "[ . 1 . 2]" 1
920 1 84 LYS H 1 84 LYS HB2 2.750 . 3.700 3.506 3.287 3.542 . 0 0 "[ . 1 . 2]" 1
921 1 84 LYS H 1 84 LYS HG3 3.150 . 4.500 3.412 3.385 3.608 . 0 0 "[ . 1 . 2]" 1
922 1 84 LYS H 1 84 LYS HG2 2.750 . 3.700 1.951 1.921 1.989 . 0 0 "[ . 1 . 2]" 1
923 1 84 LYS HB2 1 85 TYR HA 2.750 . 3.700 3.754 3.741 3.774 0.074 1 0 "[ . 1 . 2]" 1
924 1 85 TYR HA 1 85 TYR HB3 2.750 . 3.700 2.744 2.689 2.795 . 0 0 "[ . 1 . 2]" 1
925 1 85 TYR HA 1 85 TYR HD2 3.150 . 4.500 4.051 3.425 4.334 . 0 0 "[ . 1 . 2]" 1
926 1 85 TYR HA 1 85 TYR HE1 3.750 . 5.700 4.498 4.253 4.958 . 0 0 "[ . 1 . 2]" 1
927 1 85 TYR HB3 1 85 TYR HD1 3.150 . 3.700 3.712 3.673 3.734 0.034 2 0 "[ . 1 . 2]" 1
928 1 85 TYR HB3 1 87 ARG HB2 3.150 . 4.500 4.261 3.943 4.513 0.013 1 0 "[ . 1 . 2]" 1
929 1 84 LYS HB2 1 85 TYR HB2 3.750 . 5.700 4.329 4.156 4.468 . 0 0 "[ . 1 . 2]" 1
930 1 85 TYR HB2 1 85 TYR HD1 3.150 . 3.700 2.900 2.487 3.140 . 0 0 "[ . 1 . 2]" 1
931 1 85 TYR HB2 1 87 ARG HB3 3.750 . 5.700 5.535 5.244 5.703 0.003 2 0 "[ . 1 . 2]" 1
932 1 85 TYR HA 1 85 TYR HD1 2.750 . 3.700 2.536 2.074 3.323 . 0 0 "[ . 1 . 2]" 1
933 1 84 LYS HG3 1 85 TYR H 3.150 . 4.500 3.154 2.860 3.666 . 0 0 "[ . 1 . 2]" 1
934 1 85 TYR H 1 85 TYR HA 2.750 . 3.700 2.820 2.808 2.829 . 0 0 "[ . 1 . 2]" 1
935 1 85 TYR H 1 85 TYR HB3 2.750 . 3.700 3.415 3.347 3.476 . 0 0 "[ . 1 . 2]" 1
936 1 85 TYR H 1 85 TYR HB2 2.750 . 3.700 2.113 2.077 2.165 . 0 0 "[ . 1 . 2]" 1
937 1 85 TYR H 1 85 TYR HD1 2.750 . 3.700 2.810 2.532 3.059 . 0 0 "[ . 1 . 2]" 1
938 1 82 THR HB 1 86 GLY HA3 2.750 . 3.700 3.648 3.513 3.721 0.021 8 0 "[ . 1 . 2]" 1
939 1 82 THR MG 1 86 GLY HA3 3.750 . 5.700 3.667 3.300 3.837 . 0 0 "[ . 1 . 2]" 1
940 1 82 THR MG 1 86 GLY HA2 3.750 . 5.700 3.022 2.491 3.161 . 0 0 "[ . 1 . 2]" 1
941 1 84 LYS HB2 1 86 GLY H 3.150 . 4.500 4.550 4.504 4.562 0.062 1 0 "[ . 1 . 2]" 1
942 1 84 LYS HG2 1 86 GLY H 3.150 . 4.500 4.224 4.000 4.501 0.001 8 0 "[ . 1 . 2]" 1
943 1 85 TYR HA 1 86 GLY H 2.750 . 3.700 3.341 3.269 3.412 . 0 0 "[ . 1 . 2]" 1
944 1 85 TYR HB3 1 86 GLY H 3.150 . 4.500 3.830 3.661 3.983 . 0 0 "[ . 1 . 2]" 1
945 1 85 TYR HB2 1 86 GLY H 3.150 . 4.500 3.579 3.378 3.807 . 0 0 "[ . 1 . 2]" 1
946 1 85 TYR H 1 86 GLY H 2.300 . 2.800 2.650 2.599 2.708 . 0 0 "[ . 1 . 2]" 1
947 1 86 GLY H 1 86 GLY HA3 2.750 . 3.700 2.902 2.836 2.942 . 0 0 "[ . 1 . 2]" 1
948 1 86 GLY H 1 86 GLY HA2 2.750 . 3.700 2.337 2.296 2.399 . 0 0 "[ . 1 . 2]" 1
949 1 86 GLY H 1 87 ARG H 2.750 . 3.700 2.309 2.076 2.579 . 0 0 "[ . 1 . 2]" 1
950 1 33 THR HB 1 87 ARG HA 2.750 . 3.700 3.165 2.843 3.706 0.006 8 0 "[ . 1 . 2]" 1
951 1 87 ARG HA 1 87 ARG HB3 2.750 . 3.700 2.932 2.478 2.987 . 0 0 "[ . 1 . 2]" 1
952 1 87 ARG HB3 1 88 GLY HA2 3.750 . 5.700 4.618 4.417 4.721 . 0 0 "[ . 1 . 2]" 1
953 1 85 TYR HB3 1 87 ARG HE 3.150 . 4.500 3.252 2.554 3.912 . 0 0 "[ . 1 . 2]" 1
954 1 85 TYR HB2 1 87 ARG HE 3.150 . 4.500 3.149 2.223 4.062 . 0 0 "[ . 1 . 2]" 1
955 1 85 TYR HD2 1 87 ARG HE 3.150 . 4.500 4.398 3.730 4.508 0.008 12 0 "[ . 1 . 2]" 1
956 1 87 ARG HB3 1 87 ARG HE 2.750 . 3.700 3.626 3.408 3.727 0.027 18 0 "[ . 1 . 2]" 1
957 1 87 ARG HB2 1 87 ARG HE 3.150 . 4.500 2.245 1.936 3.902 . 0 0 "[ . 1 . 2]" 1
958 1 82 THR HB 1 87 ARG H 3.150 . 4.500 4.499 4.231 4.527 0.027 19 0 "[ . 1 . 2]" 1
959 1 82 THR MG 1 87 ARG H 3.150 . 4.500 4.355 3.828 4.508 0.008 15 0 "[ . 1 . 2]" 1
960 1 83 ASP H 1 87 ARG H 3.150 . 4.500 3.006 2.837 3.431 . 0 0 "[ . 1 . 2]" 1
961 1 85 TYR HB3 1 87 ARG H 2.750 . 3.700 3.639 3.181 3.710 0.010 11 0 "[ . 1 . 2]" 1
962 1 85 TYR HB2 1 87 ARG H 2.750 . 3.700 3.594 3.424 3.707 0.007 2 0 "[ . 1 . 2]" 1
963 1 85 TYR H 1 87 ARG H 2.750 . 3.700 3.746 3.723 3.753 0.053 17 0 "[ . 1 . 2]" 1
964 1 86 GLY HA3 1 87 ARG H 2.750 . 3.700 3.450 3.417 3.461 . 0 0 "[ . 1 . 2]" 1
965 1 87 ARG H 1 87 ARG HA 2.750 . 3.700 2.759 2.736 2.789 . 0 0 "[ . 1 . 2]" 1
966 1 87 ARG H 1 87 ARG HB3 2.750 . 3.700 3.084 2.940 3.588 . 0 0 "[ . 1 . 2]" 1
967 1 87 ARG H 1 87 ARG HB2 2.750 . 3.700 2.143 2.056 2.522 . 0 0 "[ . 1 . 2]" 1
968 1 87 ARG H 1 87 ARG HE 3.150 . 4.500 3.254 2.703 3.945 . 0 0 "[ . 1 . 2]" 1
969 1 34 PHE HD2 1 88 GLY HA3 3.750 . 5.700 3.299 3.110 3.485 . 0 0 "[ . 1 . 2]" 1
970 1 35 ARG HB3 1 88 GLY HA3 3.750 . 5.700 4.927 4.724 5.130 . 0 0 "[ . 1 . 2]" 1
971 1 82 THR MG 1 88 GLY HA3 3.750 . 5.700 4.624 4.435 5.080 . 0 0 "[ . 1 . 2]" 1
972 1 34 PHE HE2 1 88 GLY HA2 3.750 . 5.700 4.677 4.321 4.929 . 0 0 "[ . 1 . 2]" 1
973 1 35 ARG HB3 1 88 GLY HA2 3.750 . 5.700 5.705 5.523 5.747 0.047 16 0 "[ . 1 . 2]" 1
974 1 82 THR MG 1 88 GLY HA2 3.750 . 5.700 3.155 2.938 3.623 . 0 0 "[ . 1 . 2]" 1
975 1 34 PHE HA 1 88 GLY H 2.750 . 3.700 2.359 2.115 2.558 . 0 0 "[ . 1 . 2]" 1
976 1 34 PHE HD2 1 88 GLY H 3.750 . 5.700 5.293 5.038 5.491 . 0 0 "[ . 1 . 2]" 1
977 1 35 ARG HB3 1 88 GLY H 3.150 . 4.500 3.753 3.348 4.449 . 0 0 "[ . 1 . 2]" 1
978 1 35 ARG H 1 88 GLY H 3.150 . 4.500 3.370 3.083 3.626 . 0 0 "[ . 1 . 2]" 1
979 1 87 ARG HB3 1 88 GLY H 2.750 . 3.700 3.105 2.313 3.417 . 0 0 "[ . 1 . 2]" 1
980 1 87 ARG HB2 1 88 GLY H 3.150 . 4.500 4.003 3.505 4.100 . 0 0 "[ . 1 . 2]" 1
981 1 88 GLY H 1 88 GLY HA3 2.750 . 3.700 2.346 2.331 2.373 . 0 0 "[ . 1 . 2]" 1
982 1 88 GLY H 1 88 GLY HA2 2.750 . 3.700 2.909 2.900 2.928 . 0 0 "[ . 1 . 2]" 1
983 1 88 GLY H 1 89 LEU H 3.150 . 4.500 4.216 4.115 4.290 . 0 0 "[ . 1 . 2]" 1
984 1 37 LEU MD2 1 89 LEU HA 3.150 . 4.500 3.905 3.396 4.186 . 0 0 "[ . 1 . 2]" 1
985 1 89 LEU HA 1 89 LEU HB3 2.750 . 3.700 2.538 2.497 2.560 . 0 0 "[ . 1 . 2]" 1
986 1 89 LEU HA 1 89 LEU HB2 2.750 . 3.700 3.006 3.004 3.008 . 0 0 "[ . 1 . 2]" 1
987 1 89 LEU HA 1 89 LEU MD1 3.150 . 4.500 2.227 2.105 2.361 . 0 0 "[ . 1 . 2]" 1
988 1 89 LEU HA 1 89 LEU HG 2.750 . 3.700 3.749 3.735 3.768 0.068 7 0 "[ . 1 . 2]" 1
989 1 37 LEU MD2 1 89 LEU HB2 3.150 . 4.500 4.244 3.850 4.509 0.009 13 0 "[ . 1 . 2]" 1
990 1 88 GLY HA2 1 89 LEU HB2 3.150 . 4.500 4.490 4.457 4.519 0.019 7 0 "[ . 1 . 2]" 1
991 1 89 LEU HB2 1 89 LEU MD1 3.150 . 4.500 3.165 3.153 3.178 . 0 0 "[ . 1 . 2]" 1
992 1 89 LEU HB2 1 89 LEU MD2 2.750 . 3.700 2.487 2.426 2.541 . 0 0 "[ . 1 . 2]" 1
993 1 89 LEU HB3 1 89 LEU MD1 3.150 . 4.500 2.229 2.119 2.305 . 0 0 "[ . 1 . 2]" 1
994 1 76 PHE HD1 1 89 LEU H 3.150 . 4.500 3.116 3.009 3.303 . 0 0 "[ . 1 . 2]" 1
995 1 76 PHE HE1 1 89 LEU H 2.750 . 3.700 3.063 2.972 3.207 . 0 0 "[ . 1 . 2]" 1
996 1 82 THR HA 1 89 LEU H 2.750 . 3.700 3.223 3.072 3.458 . 0 0 "[ . 1 . 2]" 1
997 1 82 THR MG 1 89 LEU H 3.150 . 4.500 3.348 3.151 3.729 . 0 0 "[ . 1 . 2]" 1
998 1 88 GLY HA3 1 89 LEU H 2.750 . 3.700 3.419 3.375 3.478 . 0 0 "[ . 1 . 2]" 1
999 1 88 GLY HA2 1 89 LEU H 2.750 . 3.700 2.190 2.156 2.254 . 0 0 "[ . 1 . 2]" 1
1000 1 89 LEU H 1 89 LEU HB3 2.750 . 3.700 3.568 3.554 3.587 . 0 0 "[ . 1 . 2]" 1
1001 1 89 LEU H 1 89 LEU HB2 2.750 . 3.700 2.327 2.302 2.374 . 0 0 "[ . 1 . 2]" 1
1002 1 89 LEU H 1 89 LEU MD2 3.150 . 4.500 1.912 1.855 1.986 . 0 0 "[ . 1 . 2]" 1
1003 1 89 LEU H 1 89 LEU HG 2.750 . 3.700 3.735 3.710 3.751 0.051 7 0 "[ . 1 . 2]" 1
1004 1 37 LEU HB2 1 90 ALA HA 3.150 . 4.500 3.160 2.996 3.404 . 0 0 "[ . 1 . 2]" 1
1005 1 37 LEU MD1 1 90 ALA HA 3.750 . 5.700 3.679 3.114 4.164 . 0 0 "[ . 1 . 2]" 1
1006 1 34 PHE HD2 1 90 ALA MB 3.150 . 4.500 2.405 2.288 2.665 . 0 0 "[ . 1 . 2]" 1
1007 1 76 PHE HB3 1 90 ALA MB 3.150 . 4.500 3.797 3.745 3.878 . 0 0 "[ . 1 . 2]" 1
1008 1 90 ALA MB 1 92 ILE MD 3.750 . 5.700 4.297 3.988 4.561 . 0 0 "[ . 1 . 2]" 1
1009 1 34 PHE HD2 1 90 ALA H 3.150 . 4.500 3.514 3.281 3.792 . 0 0 "[ . 1 . 2]" 1
1010 1 36 LEU HA 1 90 ALA H 3.750 . 5.700 5.195 4.951 5.411 . 0 0 "[ . 1 . 2]" 1
1011 1 37 LEU HG 1 90 ALA H 3.750 . 5.700 5.646 5.288 5.717 0.017 7 0 "[ . 1 . 2]" 1
1012 1 89 LEU HA 1 90 ALA H 2.300 . 2.800 2.453 2.404 2.512 . 0 0 "[ . 1 . 2]" 1
1013 1 89 LEU HB2 1 90 ALA H 3.150 . 4.500 4.477 4.443 4.500 . 0 0 "[ . 1 . 2]" 1
1014 1 90 ALA H 1 90 ALA HA 2.750 . 3.700 2.917 2.908 2.925 . 0 0 "[ . 1 . 2]" 1
1015 1 90 ALA H 1 90 ALA MB 2.750 . 3.700 2.620 2.559 2.669 . 0 0 "[ . 1 . 2]" 1
1016 1 37 LEU HB2 1 91 TYR HA 3.150 . 4.500 3.928 3.256 4.355 . 0 0 "[ . 1 . 2]" 1
1017 1 90 ALA MB 1 91 TYR HA 3.750 . 5.700 4.080 4.002 4.153 . 0 0 "[ . 1 . 2]" 1
1018 1 91 TYR QD 1 125 LEU QD 3.150 . 4.500 2.807 2.264 3.928 . 0 0 "[ . 1 . 2]" 1
1019 1 91 TYR HA 1 91 TYR QD 3.150 . 4.500 3.246 2.894 3.325 . 0 0 "[ . 1 . 2]" 1
1020 1 91 TYR QE 1 121 HIS HB3 3.150 . 4.500 3.814 2.819 4.359 . 0 0 "[ . 1 . 2]" 1
1021 1 91 TYR QE 1 125 LEU QD 3.150 . 4.500 2.206 1.841 3.932 . 0 0 "[ . 1 . 2]" 1
1022 1 38 LEU QD 1 91 TYR QE 3.150 . 4.500 1.849 1.781 2.235 0.019 1 0 "[ . 1 . 2]" 1
1023 1 75 GLU HB3 1 91 TYR H 3.150 . 4.500 2.983 2.805 3.174 . 0 0 "[ . 1 . 2]" 1
1024 1 90 ALA HA 1 91 TYR H 2.300 . 2.800 2.498 2.423 2.532 . 0 0 "[ . 1 . 2]" 1
1025 1 90 ALA MB 1 91 TYR H 2.750 . 3.700 2.155 2.066 2.316 . 0 0 "[ . 1 . 2]" 1
1026 1 91 TYR H 1 91 TYR HA 2.750 . 3.700 2.931 2.917 2.941 . 0 0 "[ . 1 . 2]" 1
1027 1 91 TYR H 1 91 TYR QB 3.150 . 3.700 2.691 2.599 2.864 . 0 0 "[ . 1 . 2]" 1
1028 1 91 TYR H 1 91 TYR QD 3.150 . 4.500 1.971 1.845 2.959 . 0 0 "[ . 1 . 2]" 1
1029 1 91 TYR H 1 91 TYR QE 3.150 . 4.500 3.970 3.865 4.213 . 0 0 "[ . 1 . 2]" 1
1030 1 66 VAL MG1 1 92 ILE HA 3.150 . 4.500 4.531 4.514 4.547 0.047 7 0 "[ . 1 . 2]" 1
1031 1 72 ILE HB 1 92 ILE HA 3.750 . 5.700 5.728 5.714 5.740 0.040 19 0 "[ . 1 . 2]" 1
1032 1 91 TYR HA 1 92 ILE HA 3.150 . 4.500 4.377 4.365 4.386 . 0 0 "[ . 1 . 2]" 1
1033 1 23 VAL MG2 1 92 ILE MD 3.750 . 5.700 2.374 2.086 2.695 . 0 0 "[ . 1 . 2]" 1
1034 1 34 PHE HB2 1 92 ILE MD 3.750 . 5.700 3.890 3.395 4.284 . 0 0 "[ . 1 . 2]" 1
1035 1 36 LEU HA 1 92 ILE MD 3.750 . 5.700 2.559 2.279 2.792 . 0 0 "[ . 1 . 2]" 1
1036 1 36 LEU MD2 1 92 ILE MD 3.150 . 4.500 1.785 1.772 1.796 0.028 11 0 "[ . 1 . 2]" 1
1037 1 74 VAL HA 1 92 ILE MD 3.750 . 5.700 5.104 4.768 5.412 . 0 0 "[ . 1 . 2]" 1
1038 1 74 VAL HB 1 92 ILE MD 3.750 . 5.700 5.575 5.214 5.708 0.008 17 0 "[ . 1 . 2]" 1
1039 1 74 VAL MG1 1 92 ILE MD 3.750 . 5.700 3.687 3.322 3.843 . 0 0 "[ . 1 . 2]" 1
1040 1 92 ILE HA 1 92 ILE MD 3.150 . 4.500 3.442 3.231 3.671 . 0 0 "[ . 1 . 2]" 1
1041 1 92 ILE HB 1 92 ILE MD 3.150 . 4.500 2.186 2.072 2.242 . 0 0 "[ . 1 . 2]" 1
1042 1 92 ILE MD 1 92 ILE MG 3.150 . 4.500 3.102 2.925 3.215 . 0 0 "[ . 1 . 2]" 1
1043 1 92 ILE MD 1 99 VAL HB 3.750 . 5.700 4.107 3.872 4.250 . 0 0 "[ . 1 . 2]" 1
1044 1 25 LEU MD1 1 92 ILE MG 3.750 . 5.700 2.407 2.049 3.200 . 0 0 "[ . 1 . 2]" 1
1045 1 72 ILE HA 1 92 ILE MG 3.150 . 4.500 4.106 4.019 4.230 . 0 0 "[ . 1 . 2]" 1
1046 1 74 VAL HA 1 92 ILE MG 3.750 . 5.700 4.650 4.583 4.770 . 0 0 "[ . 1 . 2]" 1
1047 1 74 VAL MG1 1 92 ILE MG 3.750 . 5.700 3.104 2.968 3.396 . 0 0 "[ . 1 . 2]" 1
1048 1 92 ILE HA 1 92 ILE MG 3.150 . 4.500 2.369 2.305 2.414 . 0 0 "[ . 1 . 2]" 1
1049 1 92 ILE HG12 1 92 ILE MG 2.750 . 3.700 2.177 2.035 2.251 . 0 0 "[ . 1 . 2]" 1
1050 1 92 ILE H 1 100 ASN HD21 2.750 . 3.700 3.730 3.710 3.745 0.045 4 0 "[ . 1 . 2]" 1
1051 1 36 LEU MD2 1 92 ILE H 2.750 . 3.700 2.883 2.456 3.178 . 0 0 "[ . 1 . 2]" 1
1052 1 91 TYR HA 1 92 ILE H 2.750 . 3.700 2.196 2.182 2.206 . 0 0 "[ . 1 . 2]" 1
1053 1 91 TYR QB 1 92 ILE H 2.750 . 3.700 3.035 2.979 3.103 . 0 0 "[ . 1 . 2]" 1
1054 1 92 ILE H 1 92 ILE HB 2.300 . 2.800 2.563 2.525 2.596 . 0 0 "[ . 1 . 2]" 1
1055 1 92 ILE H 1 92 ILE MD 3.750 . 5.700 1.997 1.883 2.466 . 0 0 "[ . 1 . 2]" 1
1056 1 92 ILE H 1 92 ILE HG13 2.750 . 3.700 3.104 2.858 3.334 . 0 0 "[ . 1 . 2]" 1
1057 1 92 ILE MG 1 93 TYR HA 3.750 . 5.700 3.879 3.818 3.937 . 0 0 "[ . 1 . 2]" 1
1058 1 93 TYR HA 1 93 TYR QD 3.150 . 4.500 2.947 2.878 3.016 . 0 0 "[ . 1 . 2]" 1
1059 1 93 TYR HA 1 94 ALA MB 3.750 . 5.700 3.799 3.751 3.865 . 0 0 "[ . 1 . 2]" 1
1060 1 93 TYR HA 1 98 MET HA 3.150 . 4.500 1.881 1.814 1.921 . 0 0 "[ . 1 . 2]" 1
1061 1 93 TYR HB2 1 93 TYR QD 3.150 . 4.500 2.765 2.756 2.770 . 0 0 "[ . 1 . 2]" 1
1062 1 91 TYR QB 1 93 TYR QD 2.750 . 3.700 3.339 3.257 3.417 . 0 0 "[ . 1 . 2]" 1
1063 1 92 ILE MG 1 93 TYR QD 3.150 . 4.500 4.100 4.044 4.154 . 0 0 "[ . 1 . 2]" 1
1064 1 93 TYR HB3 1 93 TYR QD 2.750 . 3.700 2.321 2.307 2.336 . 0 0 "[ . 1 . 2]" 1
1065 1 93 TYR QD 1 98 MET HA 3.150 . 4.500 3.038 2.904 3.129 . 0 0 "[ . 1 . 2]" 1
1066 1 93 TYR QD 1 98 MET HB3 2.750 . 3.700 3.655 3.631 3.711 0.011 14 0 "[ . 1 . 2]" 1
1067 1 93 TYR QD 1 98 MET HG2 3.150 . 4.500 3.716 3.084 4.031 . 0 0 "[ . 1 . 2]" 1
1068 1 93 TYR QD 1 99 VAL MG2 3.150 . 4.500 4.425 4.412 4.442 . 0 0 "[ . 1 . 2]" 1
1069 1 73 GLU HB2 1 93 TYR HE2 3.150 . 4.500 4.435 4.259 4.507 0.007 5 0 "[ . 1 . 2]" 1
1070 1 75 GLU HB3 1 93 TYR HE1 2.750 . 3.700 3.061 2.858 3.385 . 0 0 "[ . 1 . 2]" 1
1071 1 91 TYR HA 1 93 TYR HE1 3.150 . 4.500 4.377 4.209 4.453 . 0 0 "[ . 1 . 2]" 1
1072 1 91 TYR QB 1 93 TYR HE1 2.750 . 3.700 1.798 1.688 1.862 0.112 9 0 "[ . 1 . 2]" 1
1073 1 92 ILE HA 1 93 TYR HE1 3.150 . 4.500 4.421 4.307 4.502 0.002 7 0 "[ . 1 . 2]" 1
1074 1 72 ILE HA 1 93 TYR H 3.150 . 4.500 4.072 3.970 4.169 . 0 0 "[ . 1 . 2]" 1
1075 1 73 GLU HG3 1 93 TYR H 3.150 . 4.500 4.482 4.403 4.505 0.005 17 0 "[ . 1 . 2]" 1
1076 1 92 ILE HA 1 93 TYR H 2.300 . 2.800 2.144 2.134 2.156 . 0 0 "[ . 1 . 2]" 1
1077 1 92 ILE HB 1 93 TYR H 3.150 . 4.500 4.195 4.133 4.244 . 0 0 "[ . 1 . 2]" 1
1078 1 92 ILE MG 1 93 TYR H 3.150 . 4.500 2.734 2.666 2.821 . 0 0 "[ . 1 . 2]" 1
1079 1 93 TYR H 1 93 TYR HB2 3.150 . 4.500 2.547 2.520 2.615 . 0 0 "[ . 1 . 2]" 1
1080 1 93 TYR H 1 93 TYR HE1 3.150 . 4.500 4.424 4.325 4.506 0.006 3 0 "[ . 1 . 2]" 1
1081 1 66 VAL MG1 1 94 ALA HA 3.750 . 5.700 4.337 3.968 4.579 . 0 0 "[ . 1 . 2]" 1
1082 1 92 ILE MG 1 94 ALA HA 3.750 . 5.700 4.612 4.497 4.697 . 0 0 "[ . 1 . 2]" 1
1083 1 72 ILE HA 1 94 ALA MB 3.750 . 5.700 4.263 4.178 4.437 . 0 0 "[ . 1 . 2]" 1
1084 1 69 ALA MB 1 94 ALA H 3.750 . 5.700 4.211 4.130 4.325 . 0 0 "[ . 1 . 2]" 1
1085 1 93 TYR HA 1 94 ALA H 2.300 . 2.800 2.336 2.304 2.387 . 0 0 "[ . 1 . 2]" 1
1086 1 93 TYR HB3 1 94 ALA H 3.150 . 4.500 2.530 2.407 2.616 . 0 0 "[ . 1 . 2]" 1
1087 1 93 TYR HB2 1 94 ALA H 3.150 . 4.500 3.659 3.488 3.728 . 0 0 "[ . 1 . 2]" 1
1088 1 94 ALA H 1 94 ALA MB 2.750 . 3.700 2.569 2.522 2.592 . 0 0 "[ . 1 . 2]" 1
1089 1 94 ALA H 1 95 ASP H 3.150 . 4.500 4.042 4.020 4.080 . 0 0 "[ . 1 . 2]" 1
1090 1 94 ALA H 1 97 LYS HB3 3.150 . 4.500 4.256 4.180 4.354 . 0 0 "[ . 1 . 2]" 1
1091 1 94 ALA H 1 97 LYS HB2 3.150 . 4.500 3.753 3.669 3.849 . 0 0 "[ . 1 . 2]" 1
1092 1 94 ALA H 1 97 LYS H 2.750 . 3.700 2.349 2.284 2.535 . 0 0 "[ . 1 . 2]" 1
1093 1 94 ALA H 1 98 MET HA 2.750 . 3.700 3.680 3.645 3.702 0.002 18 0 "[ . 1 . 2]" 1
1094 1 94 ALA H 1 99 VAL H 3.150 . 4.500 3.541 3.363 3.869 . 0 0 "[ . 1 . 2]" 1
1095 1 95 ASP HA 1 95 ASP HB2 2.750 . 3.700 2.780 2.598 3.023 . 0 0 "[ . 1 . 2]" 1
1096 1 69 ALA MB 1 95 ASP H 3.150 . 4.500 1.957 1.897 2.125 . 0 0 "[ . 1 . 2]" 1
1097 1 71 LYS HB3 1 95 ASP H 3.150 . 4.500 3.904 3.851 4.030 . 0 0 "[ . 1 . 2]" 1
1098 1 71 LYS HB2 1 95 ASP H 3.400 . 5.000 5.015 5.007 5.026 0.026 14 0 "[ . 1 . 2]" 1
1099 1 72 ILE HA 1 95 ASP H 3.150 . 4.500 3.795 3.693 3.900 . 0 0 "[ . 1 . 2]" 1
1100 1 72 ILE MD 1 95 ASP H 3.150 . 4.500 4.990 3.256 6.120 1.620 2 12 "[*+ ** * * ** .*-**2]" 1
1101 1 72 ILE MG 1 95 ASP H 3.750 . 5.700 5.021 4.923 5.090 . 0 0 "[ . 1 . 2]" 1
1102 1 94 ALA HA 1 95 ASP H 2.300 . 2.800 2.149 2.145 2.155 . 0 0 "[ . 1 . 2]" 1
1103 1 94 ALA MB 1 95 ASP H 3.150 . 4.500 3.328 3.306 3.345 . 0 0 "[ . 1 . 2]" 1
1104 1 95 ASP H 1 95 ASP HA 2.300 . 2.800 2.274 2.272 2.277 . 0 0 "[ . 1 . 2]" 1
1105 1 95 ASP H 1 95 ASP HB3 3.150 . 4.500 3.967 3.799 4.097 . 0 0 "[ . 1 . 2]" 1
1106 1 95 ASP H 1 95 ASP HB2 3.150 . 4.500 3.193 3.107 3.679 . 0 0 "[ . 1 . 2]" 1
1107 1 95 ASP H 1 96 GLY H 2.750 . 3.700 2.643 2.624 2.665 . 0 0 "[ . 1 . 2]" 1
1108 1 93 TYR HB2 1 96 GLY H 3.150 . 4.500 4.215 4.014 4.271 . 0 0 "[ . 1 . 2]" 1
1109 1 94 ALA HA 1 96 GLY H 3.150 . 4.500 3.545 3.526 3.558 . 0 0 "[ . 1 . 2]" 1
1110 1 95 ASP HA 1 96 GLY H 2.750 . 3.700 3.165 3.137 3.197 . 0 0 "[ . 1 . 2]" 1
1111 1 95 ASP HB2 1 96 GLY H 3.150 . 4.500 4.158 3.821 4.341 . 0 0 "[ . 1 . 2]" 1
1112 1 96 GLY H 1 96 GLY HA3 2.750 . 3.700 2.948 2.945 2.954 . 0 0 "[ . 1 . 2]" 1
1113 1 96 GLY H 1 96 GLY HA2 2.750 . 3.700 2.426 2.414 2.448 . 0 0 "[ . 1 . 2]" 1
1114 1 96 GLY H 1 97 LYS HB3 3.750 . 5.700 5.713 5.705 5.717 0.017 12 0 "[ . 1 . 2]" 1
1115 1 96 GLY H 1 97 LYS HB2 3.150 . 4.500 4.429 4.408 4.478 . 0 0 "[ . 1 . 2]" 1
1116 1 96 GLY H 1 97 LYS H 2.750 . 3.700 2.108 2.076 2.164 . 0 0 "[ . 1 . 2]" 1
1117 1 93 TYR QD 1 97 LYS HA 3.750 . 5.700 3.710 3.505 3.828 . 0 0 "[ . 1 . 2]" 1
1118 1 96 GLY HA3 1 97 LYS HA 3.150 . 4.500 4.543 4.508 4.553 0.053 15 0 "[ . 1 . 2]" 1
1119 1 97 LYS HA 1 97 LYS HB3 2.750 . 3.700 2.677 2.659 2.697 . 0 0 "[ . 1 . 2]" 1
1120 1 97 LYS HA 1 97 LYS HB2 2.750 . 3.700 2.970 2.961 2.977 . 0 0 "[ . 1 . 2]" 1
1121 1 97 LYS HA 1 97 LYS HG3 2.750 . 3.700 2.737 2.306 2.962 . 0 0 "[ . 1 . 2]" 1
1122 1 97 LYS HA 1 97 LYS HG2 2.750 . 3.700 2.419 2.255 2.821 . 0 0 "[ . 1 . 2]" 1
1123 1 97 LYS HE3 1 97 LYS HG2 2.750 . 3.700 3.534 3.178 3.701 0.001 19 0 "[ . 1 . 2]" 1
1124 1 93 TYR HB2 1 97 LYS H 3.150 . 4.500 4.510 4.492 4.521 0.021 20 0 "[ . 1 . 2]" 1
1125 1 94 ALA MB 1 97 LYS H 3.750 . 5.700 3.978 3.895 4.084 . 0 0 "[ . 1 . 2]" 1
1126 1 96 GLY HA3 1 97 LYS H 2.750 . 3.700 3.387 3.304 3.409 . 0 0 "[ . 1 . 2]" 1
1127 1 96 GLY HA2 1 97 LYS H 2.750 . 3.700 3.169 3.131 3.285 . 0 0 "[ . 1 . 2]" 1
1128 1 97 LYS H 1 97 LYS HA 2.750 . 3.700 2.933 2.928 2.945 . 0 0 "[ . 1 . 2]" 1
1129 1 97 LYS H 1 97 LYS HB3 2.750 . 3.700 3.633 3.554 3.666 . 0 0 "[ . 1 . 2]" 1
1130 1 97 LYS H 1 97 LYS HB2 2.750 . 3.700 2.563 2.444 2.600 . 0 0 "[ . 1 . 2]" 1
1131 1 97 LYS H 1 97 LYS HE3 3.150 . 4.500 4.436 4.186 4.514 0.014 20 0 "[ . 1 . 2]" 1
1132 1 97 LYS H 1 97 LYS HG3 2.750 . 3.700 3.715 3.704 3.725 0.025 8 0 "[ . 1 . 2]" 1
1133 1 98 MET HA 1 98 MET HB3 2.750 . 3.700 2.286 2.250 2.332 . 0 0 "[ . 1 . 2]" 1
1134 1 98 MET HB3 1 124 LEU MD2 3.150 . 4.500 4.479 4.200 4.531 0.031 14 0 "[ . 1 . 2]" 1
1135 1 91 TYR QB 1 98 MET HB3 2.750 . 3.700 2.619 2.443 2.801 . 0 0 "[ . 1 . 2]" 1
1136 1 93 TYR HE2 1 98 MET H 3.150 . 4.500 4.464 4.360 4.522 0.022 14 0 "[ . 1 . 2]" 1
1137 1 97 LYS HA 1 98 MET H 2.300 . 2.800 2.189 2.173 2.231 . 0 0 "[ . 1 . 2]" 1
1138 1 97 LYS HB3 1 98 MET H 2.750 . 3.700 3.238 3.070 3.312 . 0 0 "[ . 1 . 2]" 1
1139 1 97 LYS HG2 1 98 MET H 2.750 . 3.700 3.708 3.699 3.720 0.020 8 0 "[ . 1 . 2]" 1
1140 1 97 LYS H 1 98 MET H 3.150 . 4.500 4.336 4.315 4.446 . 0 0 "[ . 1 . 2]" 1
1141 1 98 MET H 1 98 MET HA 2.750 . 3.700 2.833 2.808 2.863 . 0 0 "[ . 1 . 2]" 1
1142 1 98 MET H 1 98 MET HB2 2.750 . 3.700 2.951 2.833 3.081 . 0 0 "[ . 1 . 2]" 1
1143 1 98 MET H 1 98 MET HG3 2.750 . 3.700 2.010 1.868 2.131 . 0 0 "[ . 1 . 2]" 1
1144 1 99 VAL HA 1 102 ALA MB 3.150 . 4.500 2.526 2.305 2.748 . 0 0 "[ . 1 . 2]" 1
1145 1 99 VAL HA 1 99 VAL MG1 3.150 . 4.500 2.284 2.096 2.394 . 0 0 "[ . 1 . 2]" 1
1146 1 92 ILE MG 1 99 VAL HB 3.150 . 4.500 3.633 3.468 3.824 . 0 0 "[ . 1 . 2]" 1
1147 1 99 VAL H 1 100 ASN H 3.150 . 4.500 2.732 2.551 2.839 . 0 0 "[ . 1 . 2]" 1
1148 1 92 ILE HB 1 99 VAL H 3.150 . 4.500 4.187 4.082 4.326 . 0 0 "[ . 1 . 2]" 1
1149 1 92 ILE MG 1 99 VAL H 3.750 . 5.700 4.050 3.939 4.141 . 0 0 "[ . 1 . 2]" 1
1150 1 93 TYR HA 1 99 VAL H 3.150 . 4.500 2.061 1.986 2.152 . 0 0 "[ . 1 . 2]" 1
1151 1 93 TYR QD 1 99 VAL H 3.150 . 4.500 4.040 3.951 4.172 . 0 0 "[ . 1 . 2]" 1
1152 1 98 MET HA 1 99 VAL H 2.750 . 3.700 2.121 2.106 2.137 . 0 0 "[ . 1 . 2]" 1
1153 1 98 MET HB3 1 99 VAL H 2.750 . 3.700 3.680 3.471 3.721 0.021 6 0 "[ . 1 . 2]" 1
1154 1 99 VAL H 1 99 VAL HB 2.750 . 3.700 2.744 2.657 2.857 . 0 0 "[ . 1 . 2]" 1
1155 1 99 VAL H 1 99 VAL MG1 3.150 . 4.500 3.740 3.711 3.763 . 0 0 "[ . 1 . 2]" 1
1156 1 39 VAL MG2 1 100 ASN HA 3.150 . 4.500 3.137 2.600 4.448 . 0 0 "[ . 1 . 2]" 1
1157 1 100 ASN HB3 1 125 LEU QD 3.750 . 5.700 3.058 2.526 3.500 . 0 0 "[ . 1 . 2]" 1
1158 1 36 LEU MD2 1 100 ASN HB3 3.750 . 5.700 3.291 2.906 3.827 . 0 0 "[ . 1 . 2]" 1
1159 1 36 LEU HA 1 100 ASN HB3 3.150 . 4.500 4.326 4.175 4.502 0.002 17 0 "[ . 1 . 2]" 1
1160 1 100 ASN HB2 1 125 LEU QD 3.750 . 5.700 3.148 2.537 3.619 . 0 0 "[ . 1 . 2]" 1
1161 1 36 LEU MD2 1 100 ASN HB2 3.750 . 5.700 4.029 3.758 4.451 . 0 0 "[ . 1 . 2]" 1
1162 1 100 ASN H 1 100 ASN HA 2.750 . 3.700 2.774 2.740 2.809 . 0 0 "[ . 1 . 2]" 1
1163 1 100 ASN H 1 100 ASN HB3 3.150 . 4.500 3.574 3.566 3.585 . 0 0 "[ . 1 . 2]" 1
1164 1 100 ASN H 1 100 ASN HB2 2.750 . 3.700 2.727 2.573 2.791 . 0 0 "[ . 1 . 2]" 1
1165 1 100 ASN H 1 101 GLU H 3.150 . 4.500 2.898 2.808 2.997 . 0 0 "[ . 1 . 2]" 1
1166 1 36 LEU MD2 1 100 ASN H 3.150 . 4.500 3.399 3.093 3.745 . 0 0 "[ . 1 . 2]" 1
1167 1 92 ILE H 1 100 ASN H 3.150 . 4.500 3.549 3.430 3.736 . 0 0 "[ . 1 . 2]" 1
1168 1 99 VAL HA 1 100 ASN H 2.750 . 3.700 3.509 3.481 3.552 . 0 0 "[ . 1 . 2]" 1
1169 1 99 VAL HB 1 100 ASN H 2.750 . 3.700 2.759 2.501 2.915 . 0 0 "[ . 1 . 2]" 1
1170 1 99 VAL MG1 1 100 ASN H 3.150 . 4.500 3.791 3.615 3.998 . 0 0 "[ . 1 . 2]" 1
1171 1 101 GLU HA 1 101 GLU HB3 2.750 . 3.700 2.840 2.385 3.014 . 0 0 "[ . 1 . 2]" 1
1172 1 101 GLU HA 1 104 VAL HB 3.150 . 4.500 2.492 2.178 2.694 . 0 0 "[ . 1 . 2]" 1
1173 1 101 GLU HA 1 104 VAL MG2 3.750 . 5.700 2.333 1.971 2.744 . 0 0 "[ . 1 . 2]" 1
1174 1 101 GLU HA 1 125 LEU QD 3.750 . 5.700 2.912 2.559 3.190 . 0 0 "[ . 1 . 2]" 1
1175 1 100 ASN HA 1 101 GLU H 3.150 . 4.500 3.567 3.543 3.585 . 0 0 "[ . 1 . 2]" 1
1176 1 100 ASN HB3 1 101 GLU H 3.150 . 4.500 3.580 3.451 3.727 . 0 0 "[ . 1 . 2]" 1
1177 1 100 ASN HB2 1 101 GLU H 3.150 . 4.500 2.306 2.159 2.557 . 0 0 "[ . 1 . 2]" 1
1178 1 101 GLU H 1 101 GLU HB3 2.750 . 3.700 2.833 2.570 3.130 . 0 0 "[ . 1 . 2]" 1
1179 1 101 GLU H 1 101 GLU HB2 2.750 . 3.700 2.554 2.086 3.604 . 0 0 "[ . 1 . 2]" 1
1180 1 101 GLU H 1 102 ALA MB 3.750 . 5.700 4.367 4.297 4.440 . 0 0 "[ . 1 . 2]" 1
1181 1 101 GLU H 1 102 ALA H 2.750 . 3.700 2.723 2.647 2.815 . 0 0 "[ . 1 . 2]" 1
1182 1 101 GLU H 1 104 VAL MG2 3.750 . 5.700 3.857 3.623 4.159 . 0 0 "[ . 1 . 2]" 1
1183 1 101 GLU H 1 125 LEU QD 3.150 . 4.500 3.679 3.314 4.006 . 0 0 "[ . 1 . 2]" 1
1184 1 102 ALA HA 1 105 ARG HB3 3.150 . 4.500 3.228 2.755 4.114 . 0 0 "[ . 1 . 2]" 1
1185 1 61 PHE HE2 1 102 ALA HA 3.150 . 4.500 4.284 4.136 4.421 . 0 0 "[ . 1 . 2]" 1
1186 1 102 ALA MB 1 103 LEU MD2 3.750 . 5.700 4.732 4.366 5.011 . 0 0 "[ . 1 . 2]" 1
1187 1 101 GLU HB2 1 102 ALA H 2.750 . 3.700 3.665 3.472 3.738 0.038 5 0 "[ . 1 . 2]" 1
1188 1 102 ALA H 1 102 ALA MB 2.750 . 3.700 2.215 2.160 2.236 . 0 0 "[ . 1 . 2]" 1
1189 1 102 ALA H 1 104 VAL H 3.150 . 4.500 4.021 3.880 4.066 . 0 0 "[ . 1 . 2]" 1
1190 1 61 PHE HE2 1 102 ALA H 3.150 . 4.500 4.497 4.341 4.520 0.020 20 0 "[ . 1 . 2]" 1
1191 1 99 VAL HA 1 102 ALA H 2.750 . 3.700 3.367 3.270 3.499 . 0 0 "[ . 1 . 2]" 1
1192 1 103 LEU HA 1 103 LEU MD2 3.150 . 4.500 3.215 2.702 3.452 . 0 0 "[ . 1 . 2]" 1
1193 1 103 LEU HA 1 103 LEU HG 3.150 . 4.500 2.369 2.207 2.620 . 0 0 "[ . 1 . 2]" 1
1194 1 103 LEU HA 1 106 GLN H 3.750 . 5.700 3.416 3.302 3.483 . 0 0 "[ . 1 . 2]" 1
1195 1 103 LEU HA 1 108 LEU MD1 3.750 . 5.700 2.577 1.851 3.342 . 0 0 "[ . 1 . 2]" 1
1196 1 103 LEU HB3 1 103 LEU MD2 3.150 . 3.700 2.037 1.943 2.158 . 0 0 "[ . 1 . 2]" 1
1197 1 103 LEU HB2 1 103 LEU MD2 3.150 . 4.500 2.871 2.762 3.054 . 0 0 "[ . 1 . 2]" 1
1198 1 103 LEU HB2 1 109 ALA MB 3.150 . 4.500 2.847 2.271 3.172 . 0 0 "[ . 1 . 2]" 1
1199 1 100 ASN HA 1 103 LEU MD1 3.750 . 5.700 2.621 1.955 3.143 . 0 0 "[ . 1 . 2]" 1
1200 1 103 LEU HA 1 103 LEU MD1 3.750 . 5.700 3.497 3.213 3.836 . 0 0 "[ . 1 . 2]" 1
1201 1 103 LEU MD1 1 103 LEU MD2 2.750 . 3.700 2.042 1.947 2.086 . 0 0 "[ . 1 . 2]" 1
1202 1 103 LEU MD2 1 108 LEU MD1 3.150 . 4.500 2.120 1.775 2.612 0.025 15 0 "[ . 1 . 2]" 1
1203 1 61 PHE HE2 1 103 LEU MD2 3.150 . 4.500 4.179 3.587 4.513 0.013 16 0 "[ . 1 . 2]" 1
1204 1 100 ASN HA 1 103 LEU H 2.750 . 3.700 3.721 3.701 3.739 0.039 19 0 "[ . 1 . 2]" 1
1205 1 102 ALA H 1 103 LEU H 2.750 . 3.700 2.877 2.780 2.933 . 0 0 "[ . 1 . 2]" 1
1206 1 103 LEU H 1 103 LEU HA 2.750 . 3.700 2.799 2.775 2.860 . 0 0 "[ . 1 . 2]" 1
1207 1 103 LEU H 1 103 LEU HB3 2.750 . 3.700 3.555 3.514 3.590 . 0 0 "[ . 1 . 2]" 1
1208 1 103 LEU H 1 103 LEU HB2 2.300 . 2.800 2.381 2.229 2.655 . 0 0 "[ . 1 . 2]" 1
1209 1 103 LEU H 1 103 LEU MD1 2.750 . 3.700 2.366 2.010 2.785 . 0 0 "[ . 1 . 2]" 1
1210 1 103 LEU H 1 103 LEU HG 2.750 . 3.700 2.974 2.345 3.535 . 0 0 "[ . 1 . 2]" 1
1211 1 103 LEU H 1 104 VAL H 2.750 . 3.700 2.665 2.469 2.729 . 0 0 "[ . 1 . 2]" 1
1212 1 103 LEU H 1 106 GLN HB2 3.150 . 4.500 4.473 4.361 4.535 0.035 20 0 "[ . 1 . 2]" 1
1213 1 103 LEU H 1 106 GLN H 3.150 . 4.500 4.545 4.523 4.578 0.078 16 0 "[ . 1 . 2]" 1
1214 1 104 VAL HA 1 104 VAL MG1 3.150 . 4.500 2.301 2.212 2.389 . 0 0 "[ . 1 . 2]" 1
1215 1 100 ASN HB3 1 104 VAL MG1 3.750 . 5.700 5.725 5.694 5.741 0.041 3 0 "[ . 1 . 2]" 1
1216 1 101 GLU HA 1 104 VAL MG1 3.750 . 5.700 3.784 3.501 4.008 . 0 0 "[ . 1 . 2]" 1
1217 1 104 VAL MG1 1 104 VAL MG2 2.750 . 3.700 1.959 1.893 2.074 . 0 0 "[ . 1 . 2]" 1
1218 1 104 VAL MG1 1 110 LYS HA 3.750 . 5.700 2.581 2.038 3.052 . 0 0 "[ . 1 . 2]" 1
1219 1 104 VAL MG1 1 125 LEU HG 3.150 . 4.500 3.501 2.488 3.940 . 0 0 "[ . 1 . 2]" 1
1220 1 39 VAL HA 1 104 VAL MG1 3.750 . 5.700 4.568 4.310 5.082 . 0 0 "[ . 1 . 2]" 1
1221 1 101 GLU HA 1 104 VAL H 3.150 . 4.500 3.472 3.284 3.615 . 0 0 "[ . 1 . 2]" 1
1222 1 102 ALA HA 1 104 VAL H 3.150 . 4.500 4.443 4.294 4.516 0.016 9 0 "[ . 1 . 2]" 1
1223 1 103 LEU HA 1 104 VAL H 3.150 . 4.500 3.519 3.496 3.530 . 0 0 "[ . 1 . 2]" 1
1224 1 103 LEU HB2 1 104 VAL H 2.750 . 3.700 2.674 2.536 2.811 . 0 0 "[ . 1 . 2]" 1
1225 1 103 LEU MD1 1 104 VAL H 3.150 . 4.500 3.963 3.429 4.216 . 0 0 "[ . 1 . 2]" 1
1226 1 104 VAL H 1 104 VAL HA 2.750 . 3.700 2.811 2.785 2.837 . 0 0 "[ . 1 . 2]" 1
1227 1 104 VAL H 1 104 VAL HB 2.750 . 3.700 2.625 2.515 2.703 . 0 0 "[ . 1 . 2]" 1
1228 1 104 VAL H 1 104 VAL MG2 2.750 . 3.700 2.015 1.953 2.155 . 0 0 "[ . 1 . 2]" 1
1229 1 104 VAL H 1 105 ARG H 2.750 . 3.700 2.676 2.605 2.809 . 0 0 "[ . 1 . 2]" 1
1230 1 104 VAL HB 1 105 ARG HB3 3.150 . 4.500 4.319 3.852 4.530 0.030 1 0 "[ . 1 . 2]" 1
1231 1 105 ARG HB3 1 106 GLN HA 3.750 . 5.700 4.774 4.315 5.643 . 0 0 "[ . 1 . 2]" 1
1232 1 102 ALA HA 1 105 ARG HE 3.150 . 4.500 3.982 2.898 4.515 0.015 1 0 "[ . 1 . 2]" 1
1233 1 105 ARG HE 1 106 GLN HA 3.750 . 5.700 2.530 2.040 3.222 . 0 0 "[ . 1 . 2]" 1
1234 1 105 ARG HE 1 106 GLN HB3 3.150 . 4.500 4.477 4.235 4.564 0.064 11 0 "[ . 1 . 2]" 1
1235 1 105 ARG HE 1 106 GLN HB2 2.750 . 3.700 3.495 3.043 3.716 0.016 4 0 "[ . 1 . 2]" 1
1236 1 105 ARG HE 1 106 GLN HG3 3.150 . 4.500 3.291 2.616 4.211 . 0 0 "[ . 1 . 2]" 1
1237 1 101 GLU HA 1 105 ARG H 3.150 . 4.500 3.882 3.694 4.052 . 0 0 "[ . 1 . 2]" 1
1238 1 103 LEU H 1 105 ARG H 3.150 . 4.500 4.219 4.055 4.403 . 0 0 "[ . 1 . 2]" 1
1239 1 104 VAL HA 1 105 ARG H 3.150 . 4.500 3.539 3.515 3.558 . 0 0 "[ . 1 . 2]" 1
1240 1 104 VAL MG1 1 105 ARG H 3.150 . 4.500 3.576 3.404 3.644 . 0 0 "[ . 1 . 2]" 1
1241 1 105 ARG H 1 105 ARG HA 2.750 . 3.700 2.871 2.866 2.874 . 0 0 "[ . 1 . 2]" 1
1242 1 105 ARG H 1 105 ARG HB2 2.750 . 3.700 3.006 2.714 3.622 . 0 0 "[ . 1 . 2]" 1
1243 1 105 ARG H 1 106 GLN H 2.750 . 3.700 2.481 2.427 2.612 . 0 0 "[ . 1 . 2]" 1
1244 1 106 GLN HA 1 106 GLN HB3 2.750 . 3.700 2.816 2.726 2.892 . 0 0 "[ . 1 . 2]" 1
1245 1 106 GLN HA 1 106 GLN HG2 3.150 . 4.500 3.158 2.340 3.570 . 0 0 "[ . 1 . 2]" 1
1246 1 106 GLN HA 1 137 LEU MD1 3.150 . 4.500 2.657 2.172 3.382 . 0 0 "[ . 1 . 2]" 1
1247 1 103 LEU HA 1 106 GLN HB3 3.150 . 4.500 3.437 3.070 3.685 . 0 0 "[ . 1 . 2]" 1
1248 1 106 GLN HB3 1 106 GLN HG2 2.750 . 3.700 2.378 2.206 2.998 . 0 0 "[ . 1 . 2]" 1
1249 1 106 GLN HB3 1 108 LEU MD1 3.150 . 4.500 3.167 1.875 3.766 . 0 0 "[ . 1 . 2]" 1
1250 1 106 GLN HB2 1 108 LEU MD1 3.750 . 5.700 3.427 2.244 4.109 . 0 0 "[ . 1 . 2]" 1
1251 1 106 GLN HB3 1 106 GLN HE21 3.150 . 4.500 3.562 2.042 4.445 . 0 0 "[ . 1 . 2]" 1
1252 1 106 GLN HB2 1 106 GLN HE21 2.750 . 3.700 2.864 1.901 3.745 0.045 1 0 "[ . 1 . 2]" 1
1253 1 106 GLN HE21 1 106 GLN HG3 2.750 . 3.700 2.573 2.118 3.205 . 0 0 "[ . 1 . 2]" 1
1254 1 106 GLN HA 1 106 GLN HE22 3.150 . 4.500 4.479 4.291 4.559 0.059 11 0 "[ . 1 . 2]" 1
1255 1 106 GLN HE22 1 106 GLN HG3 2.750 . 3.700 3.623 3.429 3.875 0.175 16 0 "[ . 1 . 2]" 1
1256 1 106 GLN HA 1 106 GLN HG3 2.750 . 3.700 2.363 2.009 3.600 . 0 0 "[ . 1 . 2]" 1
1257 1 106 GLN HB3 1 106 GLN HG3 2.750 . 3.700 2.712 2.388 2.815 . 0 0 "[ . 1 . 2]" 1
1258 1 106 GLN HG2 1 108 LEU MD2 3.150 . 4.500 3.907 2.604 4.518 0.018 13 0 "[ . 1 . 2]" 1
1259 1 61 PHE HE1 1 106 GLN HG2 3.150 . 4.500 4.382 3.246 4.516 0.016 11 0 "[ . 1 . 2]" 1
1260 1 105 ARG HA 1 106 GLN H 3.150 . 4.500 3.525 3.486 3.596 . 0 0 "[ . 1 . 2]" 1
1261 1 103 LEU HB2 1 106 GLN H 3.750 . 5.700 5.492 5.400 5.701 0.001 16 0 "[ . 1 . 2]" 1
1262 1 106 GLN H 1 106 GLN HA 2.750 . 3.700 2.832 2.720 2.876 . 0 0 "[ . 1 . 2]" 1
1263 1 106 GLN H 1 106 GLN HB3 2.750 . 3.700 3.317 3.196 3.453 . 0 0 "[ . 1 . 2]" 1
1264 1 106 GLN H 1 106 GLN HB2 2.750 . 3.700 2.109 2.054 2.139 . 0 0 "[ . 1 . 2]" 1
1265 1 106 GLN H 1 106 GLN HG3 2.900 . 4.000 3.977 3.834 4.198 0.198 16 0 "[ . 1 . 2]" 1
1266 1 106 GLN H 1 107 GLY H 2.750 . 3.700 2.699 2.506 2.981 . 0 0 "[ . 1 . 2]" 1
1267 1 107 GLY HA3 1 109 ALA H 3.750 . 5.700 4.380 4.212 4.659 . 0 0 "[ . 1 . 2]" 1
1268 1 107 GLY HA3 1 132 ALA MB 3.750 . 5.700 4.425 4.099 4.947 . 0 0 "[ . 1 . 2]" 1
1269 1 107 GLY HA2 1 109 ALA H 3.750 . 5.700 3.511 3.203 3.883 . 0 0 "[ . 1 . 2]" 1
1270 1 107 GLY HA2 1 132 ALA MB 3.750 . 5.700 3.903 3.573 4.366 . 0 0 "[ . 1 . 2]" 1
1271 1 104 VAL MG1 1 107 GLY H 3.750 . 5.700 5.160 4.728 5.436 . 0 0 "[ . 1 . 2]" 1
1272 1 106 GLN HB3 1 107 GLY H 2.750 . 3.700 3.014 2.586 3.723 0.023 3 0 "[ . 1 . 2]" 1
1273 1 106 GLN HB2 1 107 GLY H 3.150 . 4.500 3.144 2.709 3.846 . 0 0 "[ . 1 . 2]" 1
1274 1 107 GLY H 1 107 GLY HA3 2.750 . 3.700 2.945 2.912 2.962 . 0 0 "[ . 1 . 2]" 1
1275 1 107 GLY H 1 107 GLY HA2 2.750 . 3.700 2.500 2.341 2.615 . 0 0 "[ . 1 . 2]" 1
1276 1 107 GLY H 1 108 LEU H 2.750 . 3.700 2.260 1.901 2.725 . 0 0 "[ . 1 . 2]" 1
1277 1 107 GLY H 1 132 ALA MB 3.150 . 4.500 4.495 4.301 4.570 0.070 6 0 "[ . 1 . 2]" 1
1278 1 107 GLY H 1 137 LEU MD1 3.750 . 5.700 4.616 4.289 5.098 . 0 0 "[ . 1 . 2]" 1
1279 1 108 LEU HA 1 108 LEU HB3 2.750 . 3.700 2.320 2.223 2.403 . 0 0 "[ . 1 . 2]" 1
1280 1 108 LEU HA 1 108 LEU HB2 2.750 . 3.700 2.940 2.696 3.016 . 0 0 "[ . 1 . 2]" 1
1281 1 108 LEU HA 1 108 LEU MD1 3.750 . 5.700 3.935 3.796 4.133 . 0 0 "[ . 1 . 2]" 1
1282 1 108 LEU HA 1 108 LEU MD2 3.150 . 4.500 2.544 1.961 3.624 . 0 0 "[ . 1 . 2]" 1
1283 1 108 LEU HA 1 108 LEU HG 2.750 . 3.700 3.377 2.872 3.682 . 0 0 "[ . 1 . 2]" 1
1284 1 58 ALA MB 1 108 LEU HA 3.750 . 5.700 3.790 3.031 4.703 . 0 0 "[ . 1 . 2]" 1
1285 1 103 LEU MD2 1 108 LEU HB3 3.150 . 4.500 3.073 2.228 4.511 0.011 15 0 "[ . 1 . 2]" 1
1286 1 58 ALA MB 1 108 LEU HB3 3.750 . 5.700 2.676 1.993 3.620 . 0 0 "[ . 1 . 2]" 1
1287 1 103 LEU MD2 1 108 LEU HB2 3.150 . 4.500 2.220 1.933 3.293 . 0 0 "[ . 1 . 2]" 1
1288 1 58 ALA MB 1 108 LEU HB2 3.150 . 4.500 3.281 1.969 4.500 . 0 0 "[ . 1 . 2]" 1
1289 1 103 LEU HA 1 108 LEU MD2 3.150 . 4.500 4.291 3.573 4.509 0.009 11 0 "[ . 1 . 2]" 1
1290 1 106 GLN HB3 1 108 LEU MD2 3.150 . 4.500 2.922 1.876 3.654 . 0 0 "[ . 1 . 2]" 1
1291 1 106 GLN HB2 1 108 LEU MD2 3.150 . 4.500 4.145 2.938 4.535 0.035 16 0 "[ . 1 . 2]" 1
1292 1 108 LEU MD2 1 139 ILE MG 3.150 . 4.500 3.712 2.580 4.506 0.006 13 0 "[ . 1 . 2]" 1
1293 1 58 ALA MB 1 108 LEU MD2 3.750 . 5.700 3.801 3.261 4.201 . 0 0 "[ . 1 . 2]" 1
1294 1 61 PHE HB3 1 108 LEU MD2 3.150 . 4.500 3.931 2.336 4.382 . 0 0 "[ . 1 . 2]" 1
1295 1 108 LEU H 1 108 LEU HA 2.750 . 3.700 2.819 2.745 2.938 . 0 0 "[ . 1 . 2]" 1
1296 1 108 LEU H 1 108 LEU HB3 2.750 . 3.700 3.509 3.018 3.659 . 0 0 "[ . 1 . 2]" 1
1297 1 108 LEU H 1 108 LEU HB2 2.750 . 3.700 2.949 2.671 3.530 . 0 0 "[ . 1 . 2]" 1
1298 1 108 LEU H 1 108 LEU MD1 3.150 . 4.500 3.402 2.067 3.632 . 0 0 "[ . 1 . 2]" 1
1299 1 108 LEU H 1 108 LEU MD2 3.150 . 4.500 2.709 1.934 3.645 . 0 0 "[ . 1 . 2]" 1
1300 1 108 LEU H 1 108 LEU HG 3.150 . 4.500 1.937 1.790 2.008 0.010 9 0 "[ . 1 . 2]" 1
1301 1 108 LEU H 1 109 ALA H 2.750 . 2.800 2.659 2.494 2.790 . 0 0 "[ . 1 . 2]" 1
1302 1 104 VAL HA 1 109 ALA H 2.750 . 3.700 3.444 2.997 3.717 0.017 7 0 "[ . 1 . 2]" 1
1303 1 108 LEU HA 1 109 ALA H 3.150 . 4.500 3.369 2.975 3.519 . 0 0 "[ . 1 . 2]" 1
1304 1 108 LEU HB2 1 109 ALA H 3.150 . 4.500 3.284 2.679 4.184 . 0 0 "[ . 1 . 2]" 1
1305 1 108 LEU MD1 1 109 ALA H 3.750 . 5.700 4.561 3.224 5.073 . 0 0 "[ . 1 . 2]" 1
1306 1 108 LEU MD2 1 109 ALA H 3.750 . 5.700 4.517 4.026 5.370 . 0 0 "[ . 1 . 2]" 1
1307 1 109 ALA H 1 109 ALA MB 3.150 . 4.500 2.676 2.463 2.904 . 0 0 "[ . 1 . 2]" 1
1308 1 104 VAL HA 1 110 LYS HA 2.750 . 3.700 3.196 2.798 3.550 . 0 0 "[ . 1 . 2]" 1
1309 1 110 LYS HA 1 110 LYS HB3 2.750 . 3.700 2.381 2.321 2.458 . 0 0 "[ . 1 . 2]" 1
1310 1 40 ASP HB2 1 110 LYS HA 3.150 . 4.500 4.463 4.138 4.533 0.033 6 0 "[ . 1 . 2]" 1
1311 1 109 ALA HA 1 110 LYS H 2.750 . 3.700 2.420 2.260 2.614 . 0 0 "[ . 1 . 2]" 1
1312 1 111 VAL HA 1 111 VAL MG2 3.150 . 4.500 2.530 2.267 3.176 . 0 0 "[ . 1 . 2]" 1
1313 1 111 VAL HA 1 114 VAL MG1 3.750 . 5.700 5.311 4.377 5.716 0.016 20 0 "[ . 1 . 2]" 1
1314 1 111 VAL HA 1 129 GLU HB2 3.150 . 4.500 4.532 4.508 4.557 0.057 5 0 "[ . 1 . 2]" 1
1315 1 40 ASP HB2 1 111 VAL HA 3.150 . 4.500 4.490 4.275 4.545 0.045 3 0 "[ . 1 . 2]" 1
1316 1 111 VAL MG1 1 114 VAL HB 2.750 . 3.700 3.312 2.660 3.732 0.032 5 0 "[ . 1 . 2]" 1
1317 1 111 VAL MG1 1 129 GLU HB2 2.750 . 3.700 3.515 2.433 3.738 0.038 20 0 "[ . 1 . 2]" 1
1318 1 110 LYS HA 1 111 VAL H 2.750 . 3.700 2.404 2.294 2.455 . 0 0 "[ . 1 . 2]" 1
1319 1 110 LYS H 1 111 VAL H 3.150 . 4.500 4.428 4.385 4.481 . 0 0 "[ . 1 . 2]" 1
1320 1 111 VAL H 1 111 VAL HB 2.750 . 3.700 2.680 2.330 3.603 . 0 0 "[ . 1 . 2]" 1
1321 1 111 VAL H 1 111 VAL MG1 2.750 . 3.700 3.497 2.541 3.755 0.055 9 0 "[ . 1 . 2]" 1
1322 1 111 VAL HA 1 112 ALA H 2.300 . 2.800 2.152 2.133 2.169 . 0 0 "[ . 1 . 2]" 1
1323 1 111 VAL H 1 112 ALA H 3.150 . 4.500 4.383 4.322 4.510 0.010 12 0 "[ . 1 . 2]" 1
1324 1 112 ALA H 1 112 ALA HA 2.750 . 3.700 2.923 2.919 2.944 . 0 0 "[ . 1 . 2]" 1
1325 1 112 ALA H 1 112 ALA MB 2.750 . 3.700 2.631 2.557 2.678 . 0 0 "[ . 1 . 2]" 1
1326 1 38 LEU HB2 1 112 ALA H 3.150 . 4.500 3.569 2.994 4.345 . 0 0 "[ . 1 . 2]" 1
1327 1 39 VAL HA 1 112 ALA H 2.750 . 3.700 3.493 3.054 3.721 0.021 9 0 "[ . 1 . 2]" 1
1328 1 112 ALA MB 1 113 TYR HA 3.750 . 5.700 4.258 3.982 4.625 . 0 0 "[ . 1 . 2]" 1
1329 1 113 TYR HA 1 114 VAL MG1 3.150 . 4.500 4.181 3.875 4.331 . 0 0 "[ . 1 . 2]" 1
1330 1 113 TYR QB 1 115 TYR QE 3.400 . 5.000 4.147 2.847 4.829 . 0 0 "[ . 1 . 2]" 1
1331 1 112 ALA HA 1 113 TYR QD 3.150 . 4.500 4.104 3.427 4.464 . 0 0 "[ . 1 . 2]" 1
1332 1 112 ALA MB 1 113 TYR QD 3.150 . 4.500 2.254 1.947 3.443 . 0 0 "[ . 1 . 2]" 1
1333 1 113 TYR QB 1 113 TYR QD 2.750 . 3.700 2.144 2.135 2.205 . 0 0 "[ . 1 . 2]" 1
1334 1 112 ALA HA 1 113 TYR H 2.300 . 2.800 2.319 2.147 2.452 . 0 0 "[ . 1 . 2]" 1
1335 1 112 ALA MB 1 113 TYR H 2.750 . 3.700 2.638 2.310 3.121 . 0 0 "[ . 1 . 2]" 1
1336 1 113 TYR H 1 113 TYR HA 2.750 . 3.700 2.272 2.267 2.275 . 0 0 "[ . 1 . 2]" 1
1337 1 113 TYR H 1 113 TYR QB 3.150 . 3.700 3.283 3.160 3.414 . 0 0 "[ . 1 . 2]" 1
1338 1 113 TYR H 1 114 VAL MG1 3.150 . 4.500 3.967 3.824 4.171 . 0 0 "[ . 1 . 2]" 1
1339 1 113 TYR H 1 114 VAL H 2.750 . 3.700 2.940 2.645 3.458 . 0 0 "[ . 1 . 2]" 1
1340 1 114 VAL HA 1 114 VAL MG1 3.150 . 4.500 3.195 3.188 3.209 . 0 0 "[ . 1 . 2]" 1
1341 1 112 ALA MB 1 114 VAL H 3.750 . 5.700 4.853 4.395 5.701 0.001 10 0 "[ . 1 . 2]" 1
1342 1 113 TYR HA 1 114 VAL H 2.300 . 2.800 2.596 2.186 2.810 0.010 12 0 "[ . 1 . 2]" 1
1343 1 113 TYR QB 1 114 VAL H 3.150 . 4.500 3.849 3.681 3.913 . 0 0 "[ . 1 . 2]" 1
1344 1 114 VAL H 1 114 VAL HA 2.750 . 3.700 2.910 2.850 2.948 . 0 0 "[ . 1 . 2]" 1
1345 1 114 VAL H 1 114 VAL HB 2.750 . 3.700 3.015 2.712 3.503 . 0 0 "[ . 1 . 2]" 1
1346 1 114 VAL H 1 114 VAL MG1 2.750 . 3.700 2.047 1.928 2.442 . 0 0 "[ . 1 . 2]" 1
1347 1 38 LEU HA 1 114 VAL H 3.750 . 5.700 5.305 4.841 5.718 0.018 10 0 "[ . 1 . 2]" 1
1348 1 115 TYR HA 1 115 TYR QD 3.150 . 4.500 3.260 2.159 3.736 . 0 0 "[ . 1 . 2]" 1
1349 1 115 TYR HB2 1 115 TYR QD 2.750 . 3.700 2.490 2.275 2.726 . 0 0 "[ . 1 . 2]" 1
1350 1 115 TYR HB3 1 115 TYR QD 2.750 . 3.700 2.407 2.280 2.704 . 0 0 "[ . 1 . 2]" 1
1351 1 115 TYR QD 1 116 LYS HD2 3.400 . 5.000 4.975 4.938 5.029 0.029 12 0 "[ . 1 . 2]" 1
1352 1 114 VAL HA 1 115 TYR H 2.300 . 2.800 2.173 2.131 2.212 . 0 0 "[ . 1 . 2]" 1
1353 1 114 VAL HB 1 115 TYR H 3.150 . 4.500 4.383 4.116 4.503 0.003 17 0 "[ . 1 . 2]" 1
1354 1 114 VAL MG2 1 115 TYR H 3.150 . 4.500 2.974 2.159 3.367 . 0 0 "[ . 1 . 2]" 1
1355 1 114 VAL H 1 115 TYR H 3.150 . 4.500 4.177 3.685 4.494 . 0 0 "[ . 1 . 2]" 1
1356 1 115 TYR H 1 115 TYR HA 2.750 . 3.700 2.928 2.803 2.947 . 0 0 "[ . 1 . 2]" 1
1357 1 115 TYR H 1 115 TYR HB3 2.750 . 3.700 3.441 3.097 3.721 0.021 11 0 "[ . 1 . 2]" 1
1358 1 115 TYR H 1 115 TYR QD 3.150 . 4.500 3.107 2.429 4.071 . 0 0 "[ . 1 . 2]" 1
1359 1 116 LYS HA 1 116 LYS HB2 2.750 . 3.700 2.838 2.433 3.022 . 0 0 "[ . 1 . 2]" 1
1360 1 116 LYS HA 1 116 LYS HG3 3.150 . 4.500 3.905 3.539 4.208 . 0 0 "[ . 1 . 2]" 1
1361 1 116 LYS HA 1 117 PRO HA 2.750 . 3.700 2.311 2.002 2.593 . 0 0 "[ . 1 . 2]" 1
1362 1 116 LYS HB3 1 116 LYS HG3 2.750 . 3.700 2.588 2.405 3.000 . 0 0 "[ . 1 . 2]" 1
1363 1 115 TYR HA 1 116 LYS HD2 3.750 . 5.700 4.668 4.103 5.480 . 0 0 "[ . 1 . 2]" 1
1364 1 114 VAL MG2 1 116 LYS H 3.400 . 5.000 4.913 4.575 5.027 0.027 12 0 "[ . 1 . 2]" 1
1365 1 115 TYR HA 1 116 LYS H 2.900 . 4.000 2.325 2.192 2.474 . 0 0 "[ . 1 . 2]" 1
1366 1 115 TYR HB2 1 116 LYS H 3.150 . 4.500 3.102 2.280 4.075 . 0 0 "[ . 1 . 2]" 1
1367 1 115 TYR QD 1 116 LYS H 3.150 . 4.500 3.583 2.314 4.291 . 0 0 "[ . 1 . 2]" 1
1368 1 116 LYS H 1 116 LYS HA 2.750 . 3.700 2.901 2.771 2.935 . 0 0 "[ . 1 . 2]" 1
1369 1 116 LYS H 1 116 LYS HB2 2.750 . 3.700 2.963 2.498 3.588 . 0 0 "[ . 1 . 2]" 1
1370 1 116 LYS H 1 116 LYS HG3 3.150 . 4.500 3.631 2.139 4.023 . 0 0 "[ . 1 . 2]" 1
1371 1 116 LYS H 1 116 LYS HG2 2.750 . 3.700 2.421 1.969 2.866 . 0 0 "[ . 1 . 2]" 1
1372 1 37 LEU MD1 1 118 ASN HB3 3.750 . 5.700 4.377 3.890 5.059 . 0 0 "[ . 1 . 2]" 1
1373 1 37 LEU MD2 1 118 ASN HB3 3.750 . 5.700 3.510 2.794 4.571 . 0 0 "[ . 1 . 2]" 1
1374 1 116 LYS HG2 1 118 ASN HD21 3.400 . 5.000 5.032 5.006 5.062 0.062 15 0 "[ . 1 . 2]" 1
1375 1 116 LYS HA 1 118 ASN H 3.150 . 4.500 2.080 1.852 2.559 . 0 0 "[ . 1 . 2]" 1
1376 1 116 LYS HB3 1 118 ASN H 3.400 . 5.000 3.860 2.989 4.843 . 0 0 "[ . 1 . 2]" 1
1377 1 117 PRO HA 1 118 ASN H 2.750 . 3.700 2.690 2.186 3.364 . 0 0 "[ . 1 . 2]" 1
1378 1 117 PRO HB2 1 118 ASN H 3.150 . 4.500 3.879 3.481 4.102 . 0 0 "[ . 1 . 2]" 1
1379 1 118 ASN H 1 118 ASN HA 2.750 . 3.700 2.860 2.782 2.920 . 0 0 "[ . 1 . 2]" 1
1380 1 118 ASN H 1 118 ASN HB2 2.750 . 3.700 2.951 2.780 3.054 . 0 0 "[ . 1 . 2]" 1
1381 1 118 ASN H 1 118 ASN HD22 3.150 . 4.500 3.614 2.757 4.372 . 0 0 "[ . 1 . 2]" 1
1382 1 114 VAL MG2 1 119 ASN HA 3.750 . 5.700 4.007 2.970 5.241 . 0 0 "[ . 1 . 2]" 1
1383 1 119 ASN HA 1 119 ASN HB3 2.750 . 3.700 2.372 2.311 2.499 . 0 0 "[ . 1 . 2]" 1
1384 1 114 VAL MG2 1 119 ASN HB3 3.750 . 5.700 3.818 2.791 5.212 . 0 0 "[ . 1 . 2]" 1
1385 1 114 VAL MG2 1 119 ASN HB2 3.750 . 5.700 4.487 3.147 5.710 0.010 5 0 "[ . 1 . 2]" 1
1386 1 114 VAL MG2 1 119 ASN HD21 3.750 . 5.700 4.283 2.231 5.702 0.002 8 0 "[ . 1 . 2]" 1
1387 1 116 LYS HD3 1 119 ASN HD21 3.150 . 4.500 4.139 3.176 4.523 0.023 9 0 "[ . 1 . 2]" 1
1388 1 116 LYS HD2 1 119 ASN HD21 3.150 . 4.500 3.766 2.429 4.543 0.043 9 0 "[ . 1 . 2]" 1
1389 1 116 LYS HG3 1 119 ASN HD21 3.750 . 5.700 5.312 4.214 5.708 0.008 6 0 "[ . 1 . 2]" 1
1390 1 119 ASN HA 1 119 ASN HD21 3.150 . 4.500 4.079 3.715 4.294 . 0 0 "[ . 1 . 2]" 1
1391 1 119 ASN HB3 1 119 ASN HD21 2.750 . 3.700 2.544 2.117 3.496 . 0 0 "[ . 1 . 2]" 1
1392 1 119 ASN HB2 1 119 ASN HD21 3.150 . 4.500 2.963 2.188 3.499 . 0 0 "[ . 1 . 2]" 1
1393 1 118 ASN HA 1 119 ASN H 2.300 . 2.800 2.279 2.139 2.734 . 0 0 "[ . 1 . 2]" 1
1394 1 118 ASN HB3 1 119 ASN H 2.750 . 3.700 3.224 1.907 3.752 0.052 12 0 "[ . 1 . 2]" 1
1395 1 118 ASN H 1 119 ASN H 3.150 . 4.500 4.238 3.824 4.377 . 0 0 "[ . 1 . 2]" 1
1396 1 119 ASN H 1 119 ASN HA 2.750 . 3.700 2.687 2.265 2.899 . 0 0 "[ . 1 . 2]" 1
1397 1 119 ASN H 1 119 ASN HB2 3.150 . 4.500 3.841 2.938 4.023 . 0 0 "[ . 1 . 2]" 1
1398 1 119 ASN H 1 119 ASN HD21 3.150 . 4.500 3.927 3.110 4.477 . 0 0 "[ . 1 . 2]" 1
1399 1 119 ASN H 1 119 ASN HD22 3.150 . 4.500 4.278 3.762 4.518 0.018 12 0 "[ . 1 . 2]" 1
1400 1 119 ASN H 1 120 THR HA 3.400 . 5.000 4.218 3.907 5.014 0.014 6 0 "[ . 1 . 2]" 1
1401 1 119 ASN H 1 120 THR H 2.750 . 3.700 2.194 1.928 2.964 . 0 0 "[ . 1 . 2]" 1
1402 1 118 ASN HA 1 120 THR H 3.150 . 4.500 3.791 3.632 4.316 . 0 0 "[ . 1 . 2]" 1
1403 1 120 THR H 1 120 THR HA 2.750 . 3.700 2.760 2.717 2.797 . 0 0 "[ . 1 . 2]" 1
1404 1 120 THR H 1 121 HIS H 3.150 . 3.700 2.841 2.710 2.934 . 0 0 "[ . 1 . 2]" 1
1405 1 78 LYS HG3 1 120 THR H 3.150 . 4.500 4.535 4.509 4.594 0.094 20 0 "[ . 1 . 2]" 1
1406 1 78 LYS HG2 1 120 THR H 3.150 . 4.500 3.663 3.189 3.965 . 0 0 "[ . 1 . 2]" 1
1407 1 91 TYR QE 1 120 THR H 3.150 . 4.500 4.192 3.899 4.427 . 0 0 "[ . 1 . 2]" 1
1408 1 121 HIS HA 1 124 LEU HB3 3.150 . 4.500 3.515 2.810 4.300 . 0 0 "[ . 1 . 2]" 1
1409 1 121 HIS HA 1 124 LEU MD2 3.750 . 5.700 4.177 3.532 4.734 . 0 0 "[ . 1 . 2]" 1
1410 1 121 HIS HA 1 125 LEU QD 3.750 . 5.700 4.076 3.780 4.515 . 0 0 "[ . 1 . 2]" 1
1411 1 120 THR HG1 1 121 HIS HB2 3.750 . 5.700 5.036 4.411 5.705 0.005 19 0 "[ . 1 . 2]" 1
1412 1 121 HIS HB2 1 124 LEU MD2 3.750 . 5.700 3.869 2.746 4.368 . 0 0 "[ . 1 . 2]" 1
1413 1 121 HIS HB2 1 125 LEU HG 3.750 . 5.700 5.675 5.398 5.728 0.028 19 0 "[ . 1 . 2]" 1
1414 1 119 ASN HA 1 121 HIS H 2.750 . 3.700 3.573 3.159 3.722 0.022 3 0 "[ . 1 . 2]" 1
1415 1 120 THR HB 1 121 HIS H 2.750 . 3.700 2.693 2.401 3.149 . 0 0 "[ . 1 . 2]" 1
1416 1 120 THR HG1 1 121 HIS H 2.750 . 3.700 3.418 2.809 3.705 0.005 1 0 "[ . 1 . 2]" 1
1417 1 121 HIS H 1 121 HIS HB2 2.750 . 3.700 2.528 2.268 3.736 0.036 19 0 "[ . 1 . 2]" 1
1418 1 121 HIS H 1 122 GLU H 2.300 . 2.800 2.460 2.016 2.786 . 0 0 "[ . 1 . 2]" 1
1419 1 38 LEU QD 1 121 HIS H 3.150 . 4.500 3.713 3.206 4.196 . 0 0 "[ . 1 . 2]" 1
1420 1 91 TYR QE 1 121 HIS H 3.150 . 4.500 3.474 3.267 3.741 . 0 0 "[ . 1 . 2]" 1
1421 1 122 GLU HA 1 122 GLU HB3 2.750 . 3.700 3.022 3.006 3.026 . 0 0 "[ . 1 . 2]" 1
1422 1 122 GLU HA 1 122 GLU HB2 2.750 . 3.700 2.470 2.431 2.585 . 0 0 "[ . 1 . 2]" 1
1423 1 122 GLU HA 1 125 LEU QD 3.150 . 4.500 3.096 2.665 3.608 . 0 0 "[ . 1 . 2]" 1
1424 1 119 ASN HA 1 122 GLU HB2 3.150 . 4.500 2.531 1.942 4.503 0.003 6 0 "[ . 1 . 2]" 1
1425 1 122 GLU HB2 1 125 LEU QD 3.750 . 5.700 4.840 4.521 5.325 . 0 0 "[ . 1 . 2]" 1
1426 1 119 ASN HA 1 122 GLU H 3.150 . 4.500 3.242 2.681 4.407 . 0 0 "[ . 1 . 2]" 1
1427 1 119 ASN HB2 1 122 GLU H 3.150 . 4.500 3.623 3.259 4.514 0.014 5 0 "[ . 1 . 2]" 1
1428 1 121 HIS HA 1 122 GLU H 2.750 . 3.700 3.012 2.938 3.242 . 0 0 "[ . 1 . 2]" 1
1429 1 122 GLU H 1 122 GLU HA 2.750 . 3.700 2.787 2.738 2.815 . 0 0 "[ . 1 . 2]" 1
1430 1 122 GLU H 1 122 GLU HB3 2.300 . 2.800 2.574 2.490 2.797 . 0 0 "[ . 1 . 2]" 1
1431 1 122 GLU H 1 122 GLU HB2 2.300 . 2.800 2.475 2.277 2.560 . 0 0 "[ . 1 . 2]" 1
1432 1 122 GLU H 1 123 GLN H 2.750 . 3.700 2.808 2.683 2.929 . 0 0 "[ . 1 . 2]" 1
1433 1 122 GLU H 1 125 LEU QD 3.150 . 4.500 4.196 3.798 4.414 . 0 0 "[ . 1 . 2]" 1
1434 1 38 LEU QD 1 122 GLU H 3.150 . 4.500 4.012 3.127 4.242 . 0 0 "[ . 1 . 2]" 1
1435 1 123 GLN HA 1 123 GLN HB3 2.750 . 3.700 2.465 2.419 2.516 . 0 0 "[ . 1 . 2]" 1
1436 1 123 GLN HA 1 123 GLN HB2 2.750 . 3.700 3.023 3.020 3.024 . 0 0 "[ . 1 . 2]" 1
1437 1 123 GLN HA 1 123 GLN HG2 3.150 . 4.500 2.890 2.678 3.193 . 0 0 "[ . 1 . 2]" 1
1438 1 123 GLN HA 1 126 ARG HB2 2.750 . 3.700 2.702 2.077 3.554 . 0 0 "[ . 1 . 2]" 1
1439 1 123 GLN HB2 1 123 GLN HG3 2.750 . 3.700 2.323 2.226 2.475 . 0 0 "[ . 1 . 2]" 1
1440 1 123 GLN HB2 1 123 GLN HG2 2.300 . 2.800 2.566 2.388 2.723 . 0 0 "[ . 1 . 2]" 1
1441 1 123 GLN HE21 1 123 GLN HG3 2.750 . 3.700 3.338 2.588 3.551 . 0 0 "[ . 1 . 2]" 1
1442 1 123 GLN HA 1 123 GLN HE22 2.750 . 3.700 3.449 3.076 3.703 0.003 11 0 "[ . 1 . 2]" 1
1443 1 121 HIS HA 1 123 GLN H 3.150 . 4.500 3.868 3.564 4.115 . 0 0 "[ . 1 . 2]" 1
1444 1 122 GLU HA 1 123 GLN H 3.150 . 4.500 3.554 3.524 3.568 . 0 0 "[ . 1 . 2]" 1
1445 1 123 GLN H 1 123 GLN HA 2.750 . 3.700 2.787 2.756 2.843 . 0 0 "[ . 1 . 2]" 1
1446 1 123 GLN H 1 123 GLN HB2 2.300 . 2.800 2.549 2.474 2.623 . 0 0 "[ . 1 . 2]" 1
1447 1 123 GLN H 1 123 GLN HG2 2.750 . 3.700 2.108 1.994 2.227 . 0 0 "[ . 1 . 2]" 1
1448 1 123 GLN H 1 124 LEU H 2.750 . 3.700 2.694 2.534 2.799 . 0 0 "[ . 1 . 2]" 1
1449 1 124 LEU HA 1 124 LEU HB3 2.750 . 3.700 3.016 2.993 3.020 . 0 0 "[ . 1 . 2]" 1
1450 1 124 LEU HA 1 124 LEU MD1 3.150 . 4.500 2.402 1.982 2.669 . 0 0 "[ . 1 . 2]" 1
1451 1 124 LEU HA 1 124 LEU MD2 3.150 . 4.500 3.920 3.831 3.954 . 0 0 "[ . 1 . 2]" 1
1452 1 124 LEU HA 1 124 LEU HG 2.750 . 3.700 2.876 2.598 3.110 . 0 0 "[ . 1 . 2]" 1
1453 1 121 HIS HB2 1 124 LEU HB3 3.750 . 5.700 4.075 2.877 4.416 . 0 0 "[ . 1 . 2]" 1
1454 1 124 LEU HB3 1 124 LEU MD1 3.150 . 4.500 3.138 3.073 3.185 . 0 0 "[ . 1 . 2]" 1
1455 1 124 LEU HB3 1 124 LEU MD2 3.150 . 4.500 2.149 1.988 2.295 . 0 0 "[ . 1 . 2]" 1
1456 1 124 LEU HB3 1 124 LEU HG 2.750 . 3.700 2.628 2.522 2.720 . 0 0 "[ . 1 . 2]" 1
1457 1 121 HIS HA 1 124 LEU H 3.150 . 4.500 3.356 3.128 3.588 . 0 0 "[ . 1 . 2]" 1
1458 1 121 HIS HB2 1 124 LEU H 3.750 . 5.700 5.081 4.359 5.336 . 0 0 "[ . 1 . 2]" 1
1459 1 122 GLU H 1 124 LEU H 3.750 . 5.700 3.979 3.836 4.076 . 0 0 "[ . 1 . 2]" 1
1460 1 123 GLN HB2 1 124 LEU H 2.750 . 3.700 2.999 2.929 3.045 . 0 0 "[ . 1 . 2]" 1
1461 1 123 GLN HG2 1 124 LEU H 3.150 . 4.500 4.397 4.238 4.504 0.004 19 0 "[ . 1 . 2]" 1
1462 1 124 LEU H 1 124 LEU HA 2.750 . 3.700 2.878 2.837 2.887 . 0 0 "[ . 1 . 2]" 1
1463 1 124 LEU H 1 124 LEU HB3 2.300 . 2.800 2.463 2.393 2.752 . 0 0 "[ . 1 . 2]" 1
1464 1 124 LEU H 1 124 LEU MD2 3.150 . 4.500 4.205 4.108 4.288 . 0 0 "[ . 1 . 2]" 1
1465 1 125 LEU HA 1 125 LEU HB2 2.750 . 3.700 2.999 2.957 3.017 . 0 0 "[ . 1 . 2]" 1
1466 1 125 LEU HA 1 125 LEU QD 3.150 . 4.500 2.968 2.632 3.076 . 0 0 "[ . 1 . 2]" 1
1467 1 125 LEU HB3 1 125 LEU QD 2.750 . 3.700 2.017 1.938 2.203 . 0 0 "[ . 1 . 2]" 1
1468 1 125 LEU HB3 1 126 ARG HA 3.150 . 4.500 4.335 4.091 4.513 0.013 20 0 "[ . 1 . 2]" 1
1469 1 125 LEU HB2 1 125 LEU QD 2.750 . 3.700 2.018 1.922 2.120 . 0 0 "[ . 1 . 2]" 1
1470 1 121 HIS HB3 1 125 LEU QD 3.150 . 4.500 2.387 1.860 3.773 . 0 0 "[ . 1 . 2]" 1
1471 1 124 LEU HB3 1 125 LEU H 2.300 . 2.800 2.489 2.262 2.730 . 0 0 "[ . 1 . 2]" 1
1472 1 125 LEU H 1 125 LEU HA 2.750 . 3.700 2.873 2.860 2.878 . 0 0 "[ . 1 . 2]" 1
1473 1 125 LEU H 1 125 LEU HB3 2.750 . 3.700 3.548 3.445 3.608 . 0 0 "[ . 1 . 2]" 1
1474 1 125 LEU H 1 125 LEU QD 3.150 . 4.500 2.276 1.877 2.657 . 0 0 "[ . 1 . 2]" 1
1475 1 125 LEU H 1 126 ARG HB2 3.150 . 4.500 4.360 4.206 4.515 0.015 12 0 "[ . 1 . 2]" 1
1476 1 125 LEU H 1 126 ARG H 2.750 . 3.700 2.440 2.403 2.498 . 0 0 "[ . 1 . 2]" 1
1477 1 126 ARG HA 1 126 ARG HD2 3.150 . 4.500 4.336 3.980 4.514 0.014 15 0 "[ . 1 . 2]" 1
1478 1 126 ARG HB3 1 126 ARG HD2 3.150 . 3.700 2.707 2.013 3.505 . 0 0 "[ . 1 . 2]" 1
1479 1 123 GLN HA 1 126 ARG HD2 2.750 . 3.700 3.430 2.771 3.704 0.004 18 0 "[ . 1 . 2]" 1
1480 1 126 ARG HD2 1 126 ARG HG2 2.750 . 3.700 2.948 2.698 3.016 . 0 0 "[ . 1 . 2]" 1
1481 1 124 LEU H 1 126 ARG H 2.750 . 3.700 3.661 3.599 3.721 0.021 19 0 "[ . 1 . 2]" 1
1482 1 125 LEU HB3 1 126 ARG H 3.150 . 4.500 3.718 3.474 3.894 . 0 0 "[ . 1 . 2]" 1
1483 1 125 LEU QD 1 126 ARG H 3.150 . 4.500 3.914 3.676 4.132 . 0 0 "[ . 1 . 2]" 1
1484 1 126 ARG H 1 126 ARG HA 2.750 . 3.700 2.777 2.759 2.790 . 0 0 "[ . 1 . 2]" 1
1485 1 126 ARG H 1 126 ARG HB3 2.900 . 4.000 3.076 2.706 3.457 . 0 0 "[ . 1 . 2]" 1
1486 1 126 ARG H 1 126 ARG HG3 3.150 . 4.500 3.856 3.185 4.373 . 0 0 "[ . 1 . 2]" 1
1487 1 126 ARG H 1 127 LYS H 2.750 . 3.700 2.753 2.675 2.848 . 0 0 "[ . 1 . 2]" 1
1488 1 127 LYS HA 1 127 LYS HB2 2.750 . 3.700 3.004 2.999 3.008 . 0 0 "[ . 1 . 2]" 1
1489 1 127 LYS HG2 1 128 SER HB3 3.750 . 5.700 5.718 5.702 5.740 0.040 12 0 "[ . 1 . 2]" 1
1490 1 126 ARG HA 1 127 LYS H 2.750 . 3.700 3.518 3.478 3.553 . 0 0 "[ . 1 . 2]" 1
1491 1 127 LYS H 1 127 LYS HA 2.750 . 3.700 2.882 2.880 2.884 . 0 0 "[ . 1 . 2]" 1
1492 1 127 LYS H 1 127 LYS HB2 2.300 . 2.800 2.750 2.719 2.782 . 0 0 "[ . 1 . 2]" 1
1493 1 127 LYS H 1 127 LYS HG3 2.750 . 3.700 3.488 3.403 3.579 . 0 0 "[ . 1 . 2]" 1
1494 1 127 LYS H 1 127 LYS HG2 2.750 . 3.700 1.931 1.863 2.019 . 0 0 "[ . 1 . 2]" 1
1495 1 127 LYS H 1 128 SER H 2.750 . 3.700 2.507 2.414 2.617 . 0 0 "[ . 1 . 2]" 1
1496 1 127 LYS H 1 129 GLU H 3.150 . 4.500 3.893 3.679 4.131 . 0 0 "[ . 1 . 2]" 1
1497 1 104 VAL MG1 1 128 SER HA 3.750 . 5.700 4.539 4.268 4.752 . 0 0 "[ . 1 . 2]" 1
1498 1 105 ARG HB2 1 128 SER HA 2.750 . 3.700 3.698 3.569 3.733 0.033 17 0 "[ . 1 . 2]" 1
1499 1 128 SER HA 1 131 GLN HB3 2.750 . 3.700 3.663 3.358 3.729 0.029 1 0 "[ . 1 . 2]" 1
1500 1 104 VAL MG1 1 128 SER H 3.150 . 4.500 4.505 4.361 4.527 0.027 7 0 "[ . 1 . 2]" 1
1501 1 127 LYS HB2 1 128 SER H 2.300 . 2.800 2.394 2.186 2.619 . 0 0 "[ . 1 . 2]" 1
1502 1 128 SER H 1 128 SER HA 2.750 . 3.700 2.766 2.757 2.790 . 0 0 "[ . 1 . 2]" 1
1503 1 128 SER H 1 128 SER HB3 2.300 . 2.800 2.258 2.206 2.286 . 0 0 "[ . 1 . 2]" 1
1504 1 128 SER H 1 128 SER HB2 2.300 . 2.800 2.811 2.800 2.827 0.027 17 0 "[ . 1 . 2]" 1
1505 1 128 SER H 1 129 GLU H 2.750 . 3.700 2.783 2.718 2.873 . 0 0 "[ . 1 . 2]" 1
1506 1 104 VAL MG1 1 129 GLU HA 3.150 . 4.500 2.596 2.293 2.915 . 0 0 "[ . 1 . 2]" 1
1507 1 129 GLU HA 1 129 GLU HB2 2.750 . 3.700 2.413 2.379 2.442 . 0 0 "[ . 1 . 2]" 1
1508 1 104 VAL MG1 1 129 GLU H 2.750 . 3.700 3.097 2.746 3.374 . 0 0 "[ . 1 . 2]" 1
1509 1 125 LEU HA 1 129 GLU H 2.750 . 3.700 3.719 3.702 3.749 0.049 10 0 "[ . 1 . 2]" 1
1510 1 128 SER HA 1 129 GLU H 2.750 . 3.700 3.519 3.480 3.561 . 0 0 "[ . 1 . 2]" 1
1511 1 128 SER HB3 1 129 GLU H 3.150 . 4.500 2.881 2.701 3.052 . 0 0 "[ . 1 . 2]" 1
1512 1 129 GLU H 1 129 GLU HA 2.750 . 3.700 2.834 2.804 2.876 . 0 0 "[ . 1 . 2]" 1
1513 1 129 GLU H 1 129 GLU HB2 2.300 . 2.800 2.667 2.565 2.812 0.012 3 0 "[ . 1 . 2]" 1
1514 1 129 GLU H 1 130 ALA MB 3.150 . 4.500 4.405 4.320 4.487 . 0 0 "[ . 1 . 2]" 1
1515 1 129 GLU H 1 130 ALA H 2.750 . 2.800 2.799 2.723 2.825 0.025 8 0 "[ . 1 . 2]" 1
1516 1 129 GLU H 1 132 ALA MB 3.750 . 5.700 5.249 4.721 5.639 . 0 0 "[ . 1 . 2]" 1
1517 1 130 ALA HA 1 133 LYS HB2 3.150 . 4.500 2.120 1.937 2.467 . 0 0 "[ . 1 . 2]" 1
1518 1 127 LYS HA 1 130 ALA MB 2.750 . 3.700 3.331 3.054 3.507 . 0 0 "[ . 1 . 2]" 1
1519 1 129 GLU HB3 1 130 ALA H 2.300 . 2.800 2.265 2.187 2.390 . 0 0 "[ . 1 . 2]" 1
1520 1 130 ALA H 1 130 ALA HA 2.300 . 2.800 2.822 2.778 2.855 0.055 7 0 "[ . 1 . 2]" 1
1521 1 130 ALA H 1 130 ALA MB 2.750 . 3.700 2.078 2.046 2.128 . 0 0 "[ . 1 . 2]" 1
1522 1 130 ALA H 1 131 GLN H 2.750 . 3.700 2.636 2.504 2.772 . 0 0 "[ . 1 . 2]" 1
1523 1 130 ALA MB 1 131 GLN HA 2.750 . 3.700 3.715 3.659 3.738 0.038 9 0 "[ . 1 . 2]" 1
1524 1 131 GLN HA 1 131 GLN HB2 2.750 . 3.700 2.870 2.375 2.995 . 0 0 "[ . 1 . 2]" 1
1525 1 131 GLN HA 1 131 GLN HG2 3.150 . 4.500 2.721 2.010 4.239 . 0 0 "[ . 1 . 2]" 1
1526 1 131 GLN HA 1 131 GLN HB3 2.750 . 3.700 2.719 2.509 2.889 . 0 0 "[ . 1 . 2]" 1
1527 1 131 GLN HB3 1 131 GLN HG2 2.300 . 2.800 2.552 2.203 2.836 0.036 16 0 "[ . 1 . 2]" 1
1528 1 128 SER HA 1 131 GLN HB2 3.150 . 4.500 2.789 2.239 4.488 . 0 0 "[ . 1 . 2]" 1
1529 1 131 GLN HB2 1 131 GLN HG2 2.300 . 2.800 2.798 2.590 2.908 0.108 19 0 "[ . 1 . 2]" 1
1530 1 131 GLN HA 1 131 GLN HG3 2.750 . 3.700 2.938 2.020 3.683 . 0 0 "[ . 1 . 2]" 1
1531 1 128 SER HA 1 131 GLN H 3.150 . 4.500 3.797 3.530 4.329 . 0 0 "[ . 1 . 2]" 1
1532 1 130 ALA MB 1 131 GLN H 3.150 . 4.500 2.786 2.484 2.926 . 0 0 "[ . 1 . 2]" 1
1533 1 131 GLN H 1 131 GLN HA 2.750 . 3.700 2.794 2.769 2.832 . 0 0 "[ . 1 . 2]" 1
1534 1 131 GLN H 1 131 GLN HB3 2.750 . 3.700 3.324 2.418 3.543 . 0 0 "[ . 1 . 2]" 1
1535 1 131 GLN H 1 131 GLN HB2 2.750 . 3.700 2.298 2.067 3.596 . 0 0 "[ . 1 . 2]" 1
1536 1 131 GLN H 1 131 GLN HG3 2.750 . 3.700 3.389 2.459 3.749 0.049 3 0 "[ . 1 . 2]" 1
1537 1 131 GLN H 1 132 ALA MB 3.750 . 5.700 4.487 4.401 4.539 . 0 0 "[ . 1 . 2]" 1
1538 1 131 GLN H 1 132 ALA H 2.300 . 2.800 2.811 2.736 2.855 0.055 3 0 "[ . 1 . 2]" 1
1539 1 131 GLN H 1 133 LYS HB2 3.150 . 4.500 4.521 4.497 4.561 0.061 20 0 "[ . 1 . 2]" 1
1540 1 132 ALA HA 1 135 GLU HB2 3.150 . 4.500 4.080 3.736 4.260 . 0 0 "[ . 1 . 2]" 1
1541 1 131 GLN HB3 1 132 ALA H 2.750 . 3.700 2.976 2.550 3.736 0.036 1 0 "[ . 1 . 2]" 1
1542 1 131 GLN HB2 1 132 ALA H 2.750 . 3.700 2.867 2.446 3.718 0.018 1 0 "[ . 1 . 2]" 1
1543 1 131 GLN HG2 1 132 ALA H 3.750 . 5.700 4.660 3.451 4.959 . 0 0 "[ . 1 . 2]" 1
1544 1 132 ALA H 1 132 ALA HA 2.750 . 3.700 2.862 2.804 2.911 . 0 0 "[ . 1 . 2]" 1
1545 1 132 ALA H 1 132 ALA MB 2.750 . 3.700 2.198 2.147 2.241 . 0 0 "[ . 1 . 2]" 1
1546 1 132 ALA H 1 133 LYS H 2.750 . 2.800 2.466 2.275 2.643 . 0 0 "[ . 1 . 2]" 1
1547 1 133 LYS HA 1 133 LYS HG2 3.750 . 5.700 3.191 2.914 3.598 . 0 0 "[ . 1 . 2]" 1
1548 1 133 LYS HB2 1 133 LYS HD3 3.150 . 4.500 3.019 2.544 4.236 . 0 0 "[ . 1 . 2]" 1
1549 1 133 LYS HA 1 133 LYS HE3 3.150 . 4.500 3.946 2.219 4.505 0.005 10 0 "[ . 1 . 2]" 1
1550 1 133 LYS HE3 1 133 LYS HG2 3.750 . 5.700 3.481 2.457 4.220 . 0 0 "[ . 1 . 2]" 1
1551 1 133 LYS HB2 1 133 LYS HE2 3.150 . 4.500 4.287 3.528 4.534 0.034 10 0 "[ . 1 . 2]" 1
1552 1 130 ALA HA 1 133 LYS H 2.750 . 3.700 3.323 3.135 3.698 . 0 0 "[ . 1 . 2]" 1
1553 1 130 ALA MB 1 133 LYS H 3.750 . 5.700 4.458 4.287 4.755 . 0 0 "[ . 1 . 2]" 1
1554 1 131 GLN H 1 133 LYS H 3.150 . 4.500 3.800 3.714 3.933 . 0 0 "[ . 1 . 2]" 1
1555 1 132 ALA MB 1 133 LYS H 3.150 . 4.500 2.916 2.621 2.978 . 0 0 "[ . 1 . 2]" 1
1556 1 133 LYS H 1 133 LYS HA 2.750 . 3.700 2.801 2.753 2.850 . 0 0 "[ . 1 . 2]" 1
1557 1 133 LYS H 1 133 LYS HB3 2.750 . 3.700 3.187 2.926 3.527 . 0 0 "[ . 1 . 2]" 1
1558 1 133 LYS H 1 133 LYS HB2 2.750 . 3.700 2.102 2.051 2.251 . 0 0 "[ . 1 . 2]" 1
1559 1 133 LYS H 1 133 LYS HD2 2.750 . 3.700 3.697 3.429 3.773 0.073 11 0 "[ . 1 . 2]" 1
1560 1 133 LYS H 1 134 LYS HB3 3.750 . 5.700 4.854 4.660 4.992 . 0 0 "[ . 1 . 2]" 1
1561 1 133 LYS H 1 134 LYS H 2.750 . 3.700 2.801 2.661 2.927 . 0 0 "[ . 1 . 2]" 1
1562 1 133 LYS H 1 135 GLU HG3 3.150 . 4.500 4.442 4.252 4.517 0.017 5 0 "[ . 1 . 2]" 1
1563 1 134 LYS HA 1 134 LYS HE3 3.150 . 4.500 4.106 3.112 4.514 0.014 17 0 "[ . 1 . 2]" 1
1564 1 134 LYS HA 1 134 LYS HB3 2.750 . 3.700 2.842 2.557 3.020 . 0 0 "[ . 1 . 2]" 1
1565 1 134 LYS HD2 1 134 LYS HG2 2.300 . 2.800 2.556 2.430 2.810 0.010 8 0 "[ . 1 . 2]" 1
1566 1 134 LYS HD2 1 134 LYS HE3 2.300 . 2.800 2.611 2.262 2.811 0.011 14 0 "[ . 1 . 2]" 1
1567 1 134 LYS HA 1 134 LYS HG3 3.150 . 4.500 3.072 2.523 3.803 . 0 0 "[ . 1 . 2]" 1
1568 1 133 LYS HA 1 134 LYS H 3.150 . 4.500 3.558 3.510 3.566 . 0 0 "[ . 1 . 2]" 1
1569 1 133 LYS HB3 1 134 LYS H 2.750 . 3.700 2.593 2.304 3.461 . 0 0 "[ . 1 . 2]" 1
1570 1 133 LYS HB2 1 134 LYS H 2.750 . 3.700 3.086 2.538 3.383 . 0 0 "[ . 1 . 2]" 1
1571 1 134 LYS H 1 134 LYS HA 2.300 . 2.800 2.788 2.765 2.880 0.080 5 0 "[ . 1 . 2]" 1
1572 1 134 LYS H 1 134 LYS HB3 2.300 . 2.800 2.347 2.205 2.470 . 0 0 "[ . 1 . 2]" 1
1573 1 134 LYS H 1 135 GLU H 2.750 . 2.800 2.723 2.365 2.792 . 0 0 "[ . 1 . 2]" 1
1574 1 135 GLU HA 1 135 GLU HB2 2.750 . 3.700 2.784 2.736 2.884 . 0 0 "[ . 1 . 2]" 1
1575 1 135 GLU HA 1 135 GLU HG2 2.750 . 3.700 3.405 3.162 3.525 . 0 0 "[ . 1 . 2]" 1
1576 1 135 GLU HA 1 136 LYS HG3 3.150 . 4.500 4.148 4.002 4.327 . 0 0 "[ . 1 . 2]" 1
1577 1 135 GLU HB2 1 135 GLU HG2 2.750 . 3.700 3.006 2.999 3.012 . 0 0 "[ . 1 . 2]" 1
1578 1 135 GLU HG2 1 137 LEU HG 3.750 . 5.700 4.975 4.591 5.453 . 0 0 "[ . 1 . 2]" 1
1579 1 133 LYS H 1 135 GLU H 3.150 . 4.500 4.073 3.981 4.173 . 0 0 "[ . 1 . 2]" 1
1580 1 134 LYS HB3 1 135 GLU H 2.750 . 3.700 3.200 2.706 3.788 0.088 12 0 "[ . 1 . 2]" 1
1581 1 134 LYS HG2 1 135 GLU H 2.750 . 3.700 3.372 1.950 3.726 0.026 14 0 "[ . 1 . 2]" 1
1582 1 135 GLU H 1 135 GLU HA 2.750 . 3.700 2.929 2.921 2.940 . 0 0 "[ . 1 . 2]" 1
1583 1 135 GLU H 1 135 GLU HG2 2.750 . 3.700 2.295 2.087 2.518 . 0 0 "[ . 1 . 2]" 1
1584 1 135 GLU H 1 136 LYS HA 3.150 . 4.500 4.485 4.394 4.522 0.022 10 0 "[ . 1 . 2]" 1
1585 1 135 GLU H 1 137 LEU MD2 3.750 . 5.700 5.625 5.373 5.710 0.010 11 0 "[ . 1 . 2]" 1
1586 1 136 LYS HA 1 136 LYS HE2 3.150 . 4.500 4.504 4.499 4.507 0.007 20 0 "[ . 1 . 2]" 1
1587 1 136 LYS HA 1 136 LYS HG3 2.750 . 3.700 3.276 3.138 3.381 . 0 0 "[ . 1 . 2]" 1
1588 1 136 LYS HB3 1 140 TRP HA 3.750 . 5.700 4.724 4.607 4.789 . 0 0 "[ . 1 . 2]" 1
1589 1 136 LYS HA 1 136 LYS HB2 2.750 . 3.700 3.024 3.022 3.027 . 0 0 "[ . 1 . 2]" 1
1590 1 136 LYS HB2 1 140 TRP HB2 3.750 . 5.700 3.502 3.444 3.566 . 0 0 "[ . 1 . 2]" 1
1591 1 133 LYS HA 1 136 LYS H 2.750 . 3.700 3.323 3.139 3.711 0.011 5 0 "[ . 1 . 2]" 1
1592 1 135 GLU HA 1 136 LYS H 2.750 . 3.700 3.337 3.282 3.390 . 0 0 "[ . 1 . 2]" 1
1593 1 135 GLU HG2 1 136 LYS H 3.750 . 5.700 4.337 4.177 4.510 . 0 0 "[ . 1 . 2]" 1
1594 1 136 LYS H 1 136 LYS HA 2.300 . 2.800 2.292 2.285 2.301 . 0 0 "[ . 1 . 2]" 1
1595 1 136 LYS H 1 136 LYS HB2 2.750 . 3.700 3.467 3.418 3.533 . 0 0 "[ . 1 . 2]" 1
1596 1 136 LYS H 1 136 LYS HG3 2.300 . 2.800 2.834 2.814 2.844 0.044 18 0 "[ . 1 . 2]" 1
1597 1 136 LYS H 1 140 TRP HB3 3.150 . 4.500 4.384 4.286 4.502 0.002 10 0 "[ . 1 . 2]" 1
1598 1 135 GLU HB2 1 137 LEU HA 2.750 . 3.700 3.747 3.731 3.756 0.056 9 0 "[ . 1 . 2]" 1
1599 1 137 LEU HA 1 137 LEU HB3 2.750 . 3.700 2.686 2.627 2.711 . 0 0 "[ . 1 . 2]" 1
1600 1 137 LEU HA 1 137 LEU HG 2.750 . 3.700 2.807 2.755 2.912 . 0 0 "[ . 1 . 2]" 1
1601 1 137 LEU HB3 1 137 LEU MD1 2.750 . 3.700 2.258 2.224 2.362 . 0 0 "[ . 1 . 2]" 1
1602 1 132 ALA HA 1 137 LEU MD2 3.150 . 4.500 4.176 3.861 4.457 . 0 0 "[ . 1 . 2]" 1
1603 1 137 LEU HB3 1 137 LEU MD2 3.150 . 4.500 2.350 2.312 2.395 . 0 0 "[ . 1 . 2]" 1
1604 1 136 LYS HA 1 137 LEU H 2.750 . 3.700 2.445 2.415 2.478 . 0 0 "[ . 1 . 2]" 1
1605 1 137 LEU H 1 137 LEU HB3 2.750 . 3.700 3.518 3.496 3.569 . 0 0 "[ . 1 . 2]" 1
1606 1 137 LEU H 1 137 LEU MD1 3.150 . 4.500 3.857 3.694 3.932 . 0 0 "[ . 1 . 2]" 1
1607 1 137 LEU H 1 137 LEU MD2 3.150 . 4.500 3.666 3.469 3.756 . 0 0 "[ . 1 . 2]" 1
1608 1 137 LEU H 1 137 LEU HG 2.300 . 2.800 2.791 2.562 2.839 0.039 15 0 "[ . 1 . 2]" 1
1609 1 137 LEU H 1 140 TRP HB3 3.150 . 4.500 4.496 4.441 4.540 0.040 9 0 "[ . 1 . 2]" 1
1610 1 137 LEU H 1 140 TRP HB2 2.750 . 3.700 3.738 3.704 3.784 0.084 6 0 "[ . 1 . 2]" 1
1611 1 106 GLN HB2 1 138 ASN HD22 2.750 . 3.700 3.723 3.703 3.776 0.076 20 0 "[ . 1 . 2]" 1
1612 1 106 GLN HG2 1 138 ASN HD22 3.150 . 4.500 2.734 1.948 4.164 . 0 0 "[ . 1 . 2]" 1
1613 1 108 LEU MD2 1 138 ASN HD22 3.750 . 5.700 3.221 2.078 4.320 . 0 0 "[ . 1 . 2]" 1
1614 1 137 LEU HA 1 138 ASN H 3.150 . 4.500 3.519 3.495 3.550 . 0 0 "[ . 1 . 2]" 1
1615 1 138 ASN H 1 138 ASN HD22 3.150 . 4.500 4.071 3.522 4.504 0.004 19 0 "[ . 1 . 2]" 1
1616 1 108 LEU HB2 1 139 ILE MD 3.150 . 4.500 4.354 3.900 4.516 0.016 20 0 "[ . 1 . 2]" 1
1617 1 139 ILE HA 1 139 ILE MD 3.750 . 5.700 4.030 3.733 4.177 . 0 0 "[ . 1 . 2]" 1
1618 1 139 ILE MD 1 140 TRP HA 3.750 . 5.700 4.994 3.711 5.726 0.026 20 0 "[ . 1 . 2]" 1
1619 1 140 TRP HB3 1 140 TRP HD1 3.150 . 4.500 3.844 3.814 3.877 . 0 0 "[ . 1 . 2]" 1
1620 1 133 LYS HA 1 140 TRP HE3 3.150 . 4.500 2.611 2.354 2.939 . 0 0 "[ . 1 . 2]" 1
1621 1 133 LYS HG2 1 140 TRP HE3 3.150 . 4.500 3.950 3.568 4.559 0.059 20 0 "[ . 1 . 2]" 1
1622 1 136 LYS HA 1 140 TRP HE3 3.750 . 5.700 3.956 3.719 4.262 . 0 0 "[ . 1 . 2]" 1
1623 1 136 LYS HE3 1 140 TRP HE3 3.150 . 4.500 4.513 4.503 4.524 0.024 18 0 "[ . 1 . 2]" 1
1624 1 107 GLY HA3 1 140 TRP H 3.150 . 4.500 4.532 4.505 4.549 0.049 14 0 "[ . 1 . 2]" 1
1625 1 136 LYS HA 1 140 TRP H 3.150 . 4.500 4.266 3.973 4.505 0.005 6 0 "[ . 1 . 2]" 1
1626 1 139 ILE HB 1 140 TRP H 3.150 . 4.500 4.253 3.503 4.501 0.001 6 0 "[ . 1 . 2]" 1
1627 1 140 TRP H 1 140 TRP HA 2.750 . 3.700 2.897 2.851 2.945 . 0 0 "[ . 1 . 2]" 1
1628 1 140 TRP H 1 140 TRP HB2 2.750 . 3.700 2.472 2.290 2.617 . 0 0 "[ . 1 . 2]" 1
1629 1 137 LEU HB2 1 140 TRP HZ2 2.750 . 3.700 3.750 3.728 3.786 0.086 15 0 "[ . 1 . 2]" 1
1630 1 110 LYS HB3 1 140 TRP HZ3 2.750 . 3.700 3.650 3.230 3.721 0.021 6 0 "[ . 1 . 2]" 1
1631 1 129 GLU HA 1 140 TRP HZ3 3.150 . 4.500 3.775 3.024 4.518 0.018 6 0 "[ . 1 . 2]" 1
1632 1 133 LYS HD2 1 140 TRP HZ3 3.150 . 4.500 2.158 1.904 3.448 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 39.935
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 GLU 0.091 0.020 20 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.183 0.022 18 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.183 0.022 18 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.040 0.016 19 0 "[ . 1 . 2]"
1 58 ALA 0.004 0.004 1 0 "[ . 1 . 2]"
1 59 SER 0.004 0.002 6 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.070 0.008 3 0 "[ . 1 . 2]"
1 63 LYS 0.004 0.002 6 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.066 0.008 3 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.617 0.039 6 0 "[ . 1 . 2]"
1 74 VAL 0.091 0.020 20 0 "[ . 1 . 2]"
1 75 GLU 0.504 0.035 19 0 "[ . 1 . 2]"
1 81 ARG 0.099 0.016 14 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.099 0.016 14 0 "[ . 1 . 2]"
1 90 ALA 0.040 0.016 19 0 "[ . 1 . 2]"
1 91 TYR 0.504 0.035 19 0 "[ . 1 . 2]"
1 92 ILE 0.021 0.006 15 0 "[ . 1 . 2]"
1 93 TYR 0.617 0.039 6 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 0.367 0.050 20 0 "[ . 1 . 2]"
1 99 VAL 0.021 0.006 15 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.367 0.050 20 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
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 10 GLU O 1 74 VAL H 2.000 . 2.500 2.405 2.109 2.520 0.020 20 0 "[ . 1 . 2]" 2
2 1 10 GLU O 1 74 VAL N 3.000 2.500 3.500 3.356 3.054 3.487 . 0 0 "[ . 1 . 2]" 2
3 1 16 LYS O 1 24 LYS H 2.000 . 2.500 1.983 1.888 2.071 . 0 0 "[ . 1 . 2]" 2
4 1 16 LYS O 1 24 LYS N 3.000 2.500 3.500 2.839 2.758 2.930 . 0 0 "[ . 1 . 2]" 2
5 1 21 ASP O 1 36 LEU H 2.000 . 2.500 1.837 1.639 2.225 . 0 0 "[ . 1 . 2]" 2
6 1 21 ASP O 1 36 LEU N 3.000 2.500 3.500 2.691 2.530 3.099 . 0 0 "[ . 1 . 2]" 2
7 1 23 VAL O 1 34 PHE H 2.000 . 2.500 1.697 1.625 1.776 . 0 0 "[ . 1 . 2]" 2
8 1 23 VAL O 1 34 PHE N 3.000 2.500 3.500 2.574 2.510 2.681 . 0 0 "[ . 1 . 2]" 2
9 1 16 LYS H 1 24 LYS O 2.000 . 2.500 2.490 2.357 2.522 0.022 18 0 "[ . 1 . 2]" 2
10 1 16 LYS N 1 24 LYS O 3.000 2.500 3.500 3.462 3.320 3.501 0.001 18 0 "[ . 1 . 2]" 2
11 1 25 LEU O 1 32 MET H 2.000 . 2.500 1.757 1.663 1.903 . 0 0 "[ . 1 . 2]" 2
12 1 25 LEU O 1 32 MET N 3.000 2.500 3.500 2.730 2.625 2.881 . 0 0 "[ . 1 . 2]" 2
13 1 27 TYR O 1 30 GLN H 2.000 . 2.500 2.158 2.010 2.279 . 0 0 "[ . 1 . 2]" 2
14 1 27 TYR O 1 30 GLN N 3.000 2.500 3.500 2.968 2.862 3.062 . 0 0 "[ . 1 . 2]" 2
15 1 27 TYR H 1 30 GLN O 2.000 . 2.500 1.637 1.600 1.680 . 0 0 "[ . 1 . 2]" 2
16 1 27 TYR N 1 30 GLN O 3.000 2.500 3.500 2.576 2.557 2.603 . 0 0 "[ . 1 . 2]" 2
17 1 25 LEU H 1 32 MET O 2.000 . 2.500 1.717 1.611 1.886 . 0 0 "[ . 1 . 2]" 2
18 1 25 LEU N 1 32 MET O 3.000 2.500 3.500 2.685 2.578 2.836 . 0 0 "[ . 1 . 2]" 2
19 1 23 VAL H 1 34 PHE O 2.000 . 2.500 1.804 1.662 2.133 . 0 0 "[ . 1 . 2]" 2
20 1 23 VAL N 1 34 PHE O 3.000 2.500 3.500 2.743 2.594 3.052 . 0 0 "[ . 1 . 2]" 2
21 1 58 ALA O 1 62 THR N 3.000 2.500 3.500 3.078 2.716 3.480 . 0 0 "[ . 1 . 2]" 2
22 1 58 ALA O 1 62 THR H 2.000 . 2.500 2.123 1.776 2.504 0.004 1 0 "[ . 1 . 2]" 2
23 1 59 SER O 1 63 LYS H 2.000 . 2.500 2.229 1.877 2.502 0.002 6 0 "[ . 1 . 2]" 2
24 1 59 SER O 1 63 LYS N 3.000 2.500 3.500 3.133 2.754 3.451 . 0 0 "[ . 1 . 2]" 2
25 1 60 ALA O 1 64 LYS H 2.000 . 2.500 1.802 1.687 1.968 . 0 0 "[ . 1 . 2]" 2
26 1 60 ALA O 1 64 LYS N 3.000 2.500 3.500 2.599 2.553 2.679 . 0 0 "[ . 1 . 2]" 2
27 1 61 PHE O 1 65 MET H 2.000 . 2.500 2.067 1.848 2.248 . 0 0 "[ . 1 . 2]" 2
28 1 61 PHE O 1 65 MET N 3.000 2.500 3.500 2.994 2.702 3.147 . 0 0 "[ . 1 . 2]" 2
29 1 62 THR O 1 66 VAL H 2.000 . 2.500 2.439 2.063 2.508 0.008 3 0 "[ . 1 . 2]" 2
30 1 62 THR O 1 66 VAL N 3.000 2.500 3.500 3.405 3.037 3.486 . 0 0 "[ . 1 . 2]" 2
31 1 63 LYS O 1 67 GLU H 2.000 . 2.500 1.948 1.676 2.136 . 0 0 "[ . 1 . 2]" 2
32 1 63 LYS O 1 67 GLU N 3.000 2.500 3.500 2.833 2.584 3.016 . 0 0 "[ . 1 . 2]" 2
33 1 65 MET O 1 69 ALA H 2.000 . 2.500 1.985 1.829 2.222 . 0 0 "[ . 1 . 2]" 2
34 1 65 MET O 1 69 ALA N 3.000 2.500 3.500 2.792 2.684 2.949 . 0 0 "[ . 1 . 2]" 2
35 1 12 ALA H 1 72 ILE O 2.000 . 2.500 1.775 1.648 2.069 . 0 0 "[ . 1 . 2]" 2
36 1 12 ALA N 1 72 ILE O 3.000 2.500 3.500 2.678 2.559 2.998 . 0 0 "[ . 1 . 2]" 2
37 1 73 GLU O 1 93 TYR N 3.000 2.500 3.500 2.637 2.584 2.731 . 0 0 "[ . 1 . 2]" 2
38 1 73 GLU O 1 93 TYR H 2.000 . 2.500 1.772 1.702 1.867 . 0 0 "[ . 1 . 2]" 2
39 1 75 GLU O 1 91 TYR H 2.000 . 2.500 2.427 2.344 2.506 0.006 19 0 "[ . 1 . 2]" 2
40 1 75 GLU O 1 91 TYR N 3.000 2.500 3.500 3.260 3.189 3.354 . 0 0 "[ . 1 . 2]" 2
41 1 81 ARG O 1 89 LEU H 2.000 . 2.500 2.453 2.001 2.516 0.016 14 0 "[ . 1 . 2]" 2
42 1 81 ARG O 1 89 LEU N 3.000 2.500 3.500 3.374 2.926 3.466 . 0 0 "[ . 1 . 2]" 2
43 1 35 ARG H 1 88 GLY O 2.000 . 2.500 1.877 1.794 2.129 . 0 0 "[ . 1 . 2]" 2
44 1 35 ARG N 1 88 GLY O 3.000 2.500 3.500 2.806 2.711 3.049 . 0 0 "[ . 1 . 2]" 2
45 1 37 LEU H 1 90 ALA O 2.000 . 2.500 2.424 2.141 2.516 0.016 19 0 "[ . 1 . 2]" 2
46 1 37 LEU N 1 90 ALA O 3.000 2.500 3.500 3.376 3.079 3.483 . 0 0 "[ . 1 . 2]" 2
47 1 75 GLU H 1 91 TYR O 2.000 . 2.500 2.524 2.505 2.535 0.035 19 0 "[ . 1 . 2]" 2
48 1 75 GLU N 1 91 TYR O 3.000 2.500 3.500 3.337 3.303 3.369 . 0 0 "[ . 1 . 2]" 2
49 1 92 ILE O 1 99 VAL H 2.000 . 2.500 1.712 1.674 1.774 . 0 0 "[ . 1 . 2]" 2
50 1 92 ILE O 1 99 VAL N 3.000 2.500 3.500 2.522 2.494 2.584 0.006 15 0 "[ . 1 . 2]" 2
51 1 73 GLU N 1 93 TYR O 3.000 2.500 3.500 3.416 3.403 3.431 . 0 0 "[ . 1 . 2]" 2
52 1 73 GLU H 1 93 TYR O 2.000 . 2.500 2.531 2.521 2.539 0.039 6 0 "[ . 1 . 2]" 2
53 1 94 ALA O 1 97 LYS H 2.000 . 2.500 2.386 2.294 2.465 . 0 0 "[ . 1 . 2]" 2
54 1 94 ALA O 1 97 LYS N 3.000 2.500 3.500 3.232 3.138 3.316 . 0 0 "[ . 1 . 2]" 2
55 1 94 ALA H 1 97 LYS O 2.000 . 2.500 1.646 1.622 1.666 . 0 0 "[ . 1 . 2]" 2
56 1 94 ALA N 1 97 LYS O 3.000 2.500 3.500 2.556 2.523 2.577 . 0 0 "[ . 1 . 2]" 2
57 1 98 MET O 1 102 ALA H 2.000 . 2.500 2.508 2.352 2.550 0.050 20 0 "[ . 1 . 2]" 2
58 1 98 MET O 1 102 ALA N 3.000 2.500 3.500 3.419 3.235 3.474 . 0 0 "[ . 1 . 2]" 2
59 1 99 VAL O 1 103 LEU H 2.000 . 2.500 2.169 2.022 2.304 . 0 0 "[ . 1 . 2]" 2
60 1 99 VAL O 1 103 LEU N 3.000 2.500 3.500 3.120 2.976 3.245 . 0 0 "[ . 1 . 2]" 2
61 1 100 ASN O 1 104 VAL H 2.000 . 2.500 2.028 1.940 2.105 . 0 0 "[ . 1 . 2]" 2
62 1 100 ASN O 1 104 VAL N 3.000 2.500 3.500 2.971 2.897 3.041 . 0 0 "[ . 1 . 2]" 2
63 1 101 GLU O 1 105 ARG H 2.000 . 2.500 1.822 1.717 1.918 . 0 0 "[ . 1 . 2]" 2
64 1 101 GLU O 1 105 ARG N 3.000 2.500 3.500 2.734 2.599 2.853 . 0 0 "[ . 1 . 2]" 2
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