NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
482038 |
1jfn   |
5075 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jfn
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 882
_Distance_constraint_stats_list.Viol_count 892
_Distance_constraint_stats_list.Viol_total 1040.610
_Distance_constraint_stats_list.Viol_max 0.377
_Distance_constraint_stats_list.Viol_rms 0.0269
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0778
_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 10 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 15 PRO 0.000 0.000 1 0 "[ . 1 .]"
1 16 THR 0.082 0.044 4 0 "[ . 1 .]"
1 17 GLU 1.517 0.138 7 0 "[ . 1 .]"
1 18 GLN 2.446 0.262 4 0 "[ . 1 .]"
1 19 SER 0.000 0.000 . 0 "[ . 1 .]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 22 VAL 0.172 0.106 4 0 "[ . 1 .]"
1 23 GLN 2.015 0.223 12 0 "[ . 1 .]"
1 24 ASP 0.526 0.219 2 0 "[ . 1 .]"
1 25 CYS 0.569 0.122 9 0 "[ . 1 .]"
1 26 TYR 2.390 0.365 10 0 "[ . 1 .]"
1 27 HIS 0.494 0.086 5 0 "[ . 1 .]"
1 28 GLY 0.038 0.029 4 0 "[ . 1 .]"
1 29 ASP 5.199 0.377 13 0 "[ . 1 .]"
1 30 GLY 0.250 0.080 12 0 "[ . 1 .]"
1 31 GLN 5.548 0.377 13 0 "[ . 1 .]"
1 33 TYR 0.488 0.094 11 0 "[ . 1 .]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 36 SER 0.379 0.086 13 0 "[ . 1 .]"
1 37 PHE 1.576 0.146 10 0 "[ . 1 .]"
1 38 SER 2.089 0.205 8 0 "[ . 1 .]"
1 39 THR 1.663 0.146 10 0 "[ . 1 .]"
1 40 THR 0.892 0.137 1 0 "[ . 1 .]"
1 41 VAL 0.706 0.074 15 0 "[ . 1 .]"
1 42 THR 0.044 0.018 15 0 "[ . 1 .]"
1 43 GLY 0.050 0.018 15 0 "[ . 1 .]"
1 44 ARG 0.958 0.122 3 0 "[ . 1 .]"
1 45 THR 1.193 0.208 10 0 "[ . 1 .]"
1 46 CYS 2.530 0.192 15 0 "[ . 1 .]"
1 47 GLN 1.286 0.115 3 0 "[ . 1 .]"
1 48 SER 2.134 0.182 14 0 "[ . 1 .]"
1 49 TRP 1.833 0.140 3 0 "[ . 1 .]"
1 50 SER 0.178 0.080 13 0 "[ . 1 .]"
1 51 SER 1.100 0.109 4 0 "[ . 1 .]"
1 52 MET 1.524 0.295 11 0 "[ . 1 .]"
1 53 THR 0.377 0.109 4 0 "[ . 1 .]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 55 HIS 2.000 0.149 3 0 "[ . 1 .]"
1 56 TRP 2.695 0.295 11 0 "[ . 1 .]"
1 57 HIS 1.298 0.213 4 0 "[ . 1 .]"
1 58 GLN 0.027 0.027 7 0 "[ . 1 .]"
1 60 THR 3.429 0.245 5 0 "[ . 1 .]"
1 61 THR 0.879 0.214 13 0 "[ . 1 .]"
1 62 GLU 9.554 0.245 5 0 "[ . 1 .]"
1 63 TYR 2.538 0.244 15 0 "[ . 1 .]"
1 64 TYR 2.191 0.220 7 0 "[ . 1 .]"
1 65 PRO 0.340 0.137 13 0 "[ . 1 .]"
1 66 ASN 0.155 0.102 13 0 "[ . 1 .]"
1 67 GLY 0.604 0.144 15 0 "[ . 1 .]"
1 68 GLY 1.263 0.169 3 0 "[ . 1 .]"
1 69 LEU 3.641 0.214 13 0 "[ . 1 .]"
1 70 THR 2.016 0.169 3 0 "[ . 1 .]"
1 71 ARG 0.034 0.025 9 0 "[ . 1 .]"
1 72 ASN 1.655 0.182 14 0 "[ . 1 .]"
1 73 TYR 2.903 0.205 8 0 "[ . 1 .]"
1 74 CYS 0.664 0.113 12 0 "[ . 1 .]"
1 75 ARG 1.617 0.214 3 0 "[ . 1 .]"
1 76 ASN 0.320 0.062 13 0 "[ . 1 .]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 78 ASP 0.293 0.062 13 0 "[ . 1 .]"
1 79 ALA 0.241 0.083 5 0 "[ . 1 .]"
1 80 GLU 0.031 0.025 12 0 "[ . 1 .]"
1 81 ILE 1.939 0.324 12 0 "[ . 1 .]"
1 82 SER 0.970 0.115 8 0 "[ . 1 .]"
1 83 PRO 0.026 0.026 12 0 "[ . 1 .]"
1 84 TRP 0.765 0.113 12 0 "[ . 1 .]"
1 85 CYS 0.984 0.109 4 0 "[ . 1 .]"
1 86 TYR 0.013 0.013 14 0 "[ . 1 .]"
1 87 THR 4.486 0.234 11 0 "[ . 1 .]"
1 88 MET 1.620 0.208 10 0 "[ . 1 .]"
1 89 ASP 2.328 0.152 2 0 "[ . 1 .]"
1 90 PRO 0.765 0.093 5 0 "[ . 1 .]"
1 91 ASN 0.593 0.086 7 0 "[ . 1 .]"
1 92 VAL 5.591 0.234 11 0 "[ . 1 .]"
1 93 ARG 2.751 0.227 9 0 "[ . 1 .]"
1 94 TRP 0.123 0.030 1 0 "[ . 1 .]"
1 95 GLU 1.260 0.109 4 0 "[ . 1 .]"
1 96 TYR 0.847 0.074 15 0 "[ . 1 .]"
1 97 CYS 1.654 0.182 1 0 "[ . 1 .]"
1 98 ASN 0.706 0.137 1 0 "[ . 1 .]"
1 99 LEU 2.364 0.182 1 0 "[ . 1 .]"
1 100 THR 2.631 0.145 7 0 "[ . 1 .]"
1 101 GLN 1.332 0.129 1 0 "[ . 1 .]"
1 102 CYS 2.253 0.365 10 0 "[ . 1 .]"
1 104 VAL 0.251 0.080 4 0 "[ . 1 .]"
1 105 THR 0.332 0.080 4 0 "[ . 1 .]"
1 106 GLU 0.851 0.151 10 0 "[ . 1 .]"
1 107 SER 0.000 0.000 . 0 "[ . 1 .]"
1 109 VAL 0.014 0.014 10 0 "[ . 1 .]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 113 SER 0.000 0.000 . 0 "[ . 1 .]"
1 116 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 117 SER 0.000 0.000 . 0 "[ . 1 .]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 .]"
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 ILE HA 1 11 GLU H 3.000 . 3.600 2.670 2.211 3.590 . 0 0 "[ . 1 .]" 1
2 1 10 ILE HB 1 11 GLU H 4.000 . 5.000 3.827 1.910 4.643 . 0 0 "[ . 1 .]" 1
3 1 10 ILE MD 1 11 GLU H 4.000 . 5.300 3.874 2.798 4.329 . 0 0 "[ . 1 .]" 1
4 1 11 GLU H 1 11 GLU QG 4.000 . 6.000 3.051 1.878 4.205 . 0 0 "[ . 1 .]" 1
5 1 11 GLU HA 1 12 GLY H 3.000 . 3.600 2.868 2.209 3.593 . 0 0 "[ . 1 .]" 1
6 1 12 GLY H 1 13 ARG H 4.000 . 5.000 3.476 2.029 4.646 . 0 0 "[ . 1 .]" 1
7 1 12 GLY QA 1 13 ARG H 3.000 . 4.600 2.396 2.158 2.826 . 0 0 "[ . 1 .]" 1
8 1 13 ARG H 1 13 ARG QG 4.000 . 6.000 3.215 1.897 4.051 . 0 0 "[ . 1 .]" 1
9 1 13 ARG H 1 14 ALA H 4.000 . 5.000 3.640 2.134 4.634 . 0 0 "[ . 1 .]" 1
10 1 13 ARG HA 1 14 ALA H 3.000 . 3.600 2.804 2.213 3.590 . 0 0 "[ . 1 .]" 1
11 1 13 ARG QB 1 14 ALA H 4.000 . 6.000 2.948 1.873 4.068 . 0 0 "[ . 1 .]" 1
12 1 13 ARG QG 1 14 ALA H 4.000 . 6.000 3.600 2.405 4.572 . 0 0 "[ . 1 .]" 1
13 1 14 ALA H 1 14 ALA HA 3.000 . 3.600 2.933 2.824 2.999 . 0 0 "[ . 1 .]" 1
14 1 15 PRO HA 1 16 THR H 3.000 . 3.600 2.967 2.224 3.600 0.000 1 0 "[ . 1 .]" 1
15 1 15 PRO QB 1 16 THR H 4.000 . 6.000 2.940 1.857 3.945 . 0 0 "[ . 1 .]" 1
16 1 16 THR H 1 16 THR HA 3.000 . 3.600 2.962 2.866 3.002 . 0 0 "[ . 1 .]" 1
17 1 16 THR H 1 16 THR HB 3.000 . 3.600 3.117 2.333 3.644 0.044 4 0 "[ . 1 .]" 1
18 1 16 THR H 1 16 THR MG 4.000 . 5.300 3.103 1.883 3.931 . 0 0 "[ . 1 .]" 1
19 1 16 THR MG 1 17 GLU H 4.000 . 5.300 3.582 1.852 4.398 . 0 0 "[ . 1 .]" 1
20 1 17 GLU H 1 17 GLU HA 2.500 . 2.700 2.801 2.739 2.838 0.138 7 0 "[ . 1 .]" 1
21 1 17 GLU H 1 17 GLU QB 3.000 . 4.600 2.160 1.932 2.526 . 0 0 "[ . 1 .]" 1
22 1 17 GLU H 1 17 GLU QG 3.000 . 4.600 3.093 1.918 3.931 . 0 0 "[ . 1 .]" 1
23 1 17 GLU HA 1 18 GLN H 3.000 . 3.600 2.270 2.215 2.441 . 0 0 "[ . 1 .]" 1
24 1 18 GLN H 1 18 GLN HA 2.500 . 2.700 2.863 2.783 2.962 0.262 4 0 "[ . 1 .]" 1
25 1 18 GLN H 1 18 GLN QB 2.500 . 3.700 2.431 1.914 3.215 . 0 0 "[ . 1 .]" 1
26 1 18 GLN H 1 18 GLN QG 3.000 . 4.600 3.151 1.840 4.174 . 0 0 "[ . 1 .]" 1
27 1 18 GLN H 1 19 SER QB 4.000 . 6.000 4.431 3.431 5.458 . 0 0 "[ . 1 .]" 1
28 1 19 SER H 1 19 SER HA 3.000 . 3.600 2.865 2.765 2.955 . 0 0 "[ . 1 .]" 1
29 1 20 PRO HA 1 21 GLY H 3.000 . 3.600 2.551 2.221 3.561 . 0 0 "[ . 1 .]" 1
30 1 20 PRO QB 1 21 GLY H 4.000 . 6.000 2.892 1.850 3.774 . 0 0 "[ . 1 .]" 1
31 1 21 GLY H 1 22 VAL H 4.000 . 5.000 3.217 1.929 4.388 . 0 0 "[ . 1 .]" 1
32 1 21 GLY H 1 22 VAL QG 4.000 . 7.400 3.865 2.732 5.012 . 0 0 "[ . 1 .]" 1
33 1 21 GLY QA 1 22 VAL H 2.500 . 3.700 2.403 2.163 2.937 . 0 0 "[ . 1 .]" 1
34 1 21 GLY QA 1 22 VAL QG 3.000 . 7.000 3.421 3.011 3.947 . 0 0 "[ . 1 .]" 1
35 1 22 VAL H 1 22 VAL HA 3.000 . 3.600 2.959 2.798 3.003 . 0 0 "[ . 1 .]" 1
36 1 22 VAL H 1 22 VAL HB 3.000 . 3.600 3.025 2.333 3.633 0.033 13 0 "[ . 1 .]" 1
37 1 22 VAL H 1 22 VAL QG 3.000 . 6.000 2.108 1.694 2.852 0.106 4 0 "[ . 1 .]" 1
38 1 22 VAL H 1 23 GLN H 4.000 . 5.000 4.357 3.615 4.635 . 0 0 "[ . 1 .]" 1
39 1 22 VAL H 1 23 GLN QB 4.000 . 6.000 4.453 3.785 5.357 . 0 0 "[ . 1 .]" 1
40 1 22 VAL HA 1 22 VAL QG 2.500 . 5.100 2.178 2.016 2.350 . 0 0 "[ . 1 .]" 1
41 1 22 VAL HA 1 23 GLN H 2.500 . 2.700 2.254 2.214 2.428 . 0 0 "[ . 1 .]" 1
42 1 22 VAL QG 1 23 GLN H 4.000 . 7.400 2.865 2.291 3.590 . 0 0 "[ . 1 .]" 1
43 1 22 VAL QG 1 24 ASP H 4.000 . 7.400 4.220 2.549 5.235 . 0 0 "[ . 1 .]" 1
44 1 23 GLN H 1 23 GLN HA 2.500 . 2.700 2.749 2.364 2.923 0.223 12 0 "[ . 1 .]" 1
45 1 23 GLN H 1 23 GLN QB 3.000 . 4.600 2.962 2.308 3.430 . 0 0 "[ . 1 .]" 1
46 1 23 GLN H 1 23 GLN QG 3.000 . 4.600 3.375 2.092 4.205 . 0 0 "[ . 1 .]" 1
47 1 23 GLN H 1 24 ASP QB 4.000 . 6.000 4.724 3.711 5.580 . 0 0 "[ . 1 .]" 1
48 1 23 GLN HA 1 24 ASP H 2.500 . 2.700 2.489 2.224 2.919 0.219 2 0 "[ . 1 .]" 1
49 1 23 GLN QB 1 24 ASP H 4.000 . 6.000 3.778 1.914 4.059 . 0 0 "[ . 1 .]" 1
50 1 23 GLN QG 1 24 ASP H 4.000 . 6.000 3.986 2.270 4.598 . 0 0 "[ . 1 .]" 1
51 1 24 ASP H 1 24 ASP HA 3.000 . 3.600 2.874 2.703 2.943 . 0 0 "[ . 1 .]" 1
52 1 24 ASP H 1 24 ASP QB 3.000 . 4.600 2.291 1.916 2.570 . 0 0 "[ . 1 .]" 1
53 1 24 ASP H 1 99 LEU QD 4.000 . 7.400 4.890 4.357 5.380 . 0 0 "[ . 1 .]" 1
54 1 24 ASP HA 1 25 CYS H 2.500 . 2.700 2.510 2.230 2.822 0.122 9 0 "[ . 1 .]" 1
55 1 24 ASP QB 1 25 CYS H 3.000 . 4.600 3.438 2.046 4.063 . 0 0 "[ . 1 .]" 1
56 1 25 CYS H 1 25 CYS HA 3.000 . 3.600 2.933 2.921 2.950 . 0 0 "[ . 1 .]" 1
57 1 25 CYS H 1 25 CYS QB 3.000 . 4.600 2.913 2.686 3.095 . 0 0 "[ . 1 .]" 1
58 1 25 CYS H 1 26 TYR H 4.000 . 5.000 4.380 4.271 4.426 . 0 0 "[ . 1 .]" 1
59 1 25 CYS H 1 33 TYR QE 3.000 . 5.600 3.892 2.961 4.602 . 0 0 "[ . 1 .]" 1
60 1 25 CYS H 1 98 ASN QB 4.000 . 6.000 5.432 5.360 5.574 . 0 0 "[ . 1 .]" 1
61 1 25 CYS H 1 99 LEU QB 4.000 . 6.000 3.830 2.017 5.342 . 0 0 "[ . 1 .]" 1
62 1 25 CYS H 1 99 LEU QD 4.000 . 7.400 2.620 1.840 3.790 . 0 0 "[ . 1 .]" 1
63 1 25 CYS HA 1 26 TYR H 2.500 . 2.700 2.469 2.251 2.761 0.061 12 0 "[ . 1 .]" 1
64 1 25 CYS HA 1 100 THR H 4.000 . 5.000 1.798 1.753 1.873 0.047 6 0 "[ . 1 .]" 1
65 1 25 CYS HA 1 102 CYS H 4.000 . 5.000 4.057 3.487 4.785 . 0 0 "[ . 1 .]" 1
66 1 25 CYS QB 1 26 TYR H 3.000 . 4.600 2.815 2.248 3.301 . 0 0 "[ . 1 .]" 1
67 1 25 CYS QB 1 100 THR H 4.000 . 6.000 3.464 2.768 3.860 . 0 0 "[ . 1 .]" 1
68 1 25 CYS QB 1 100 THR MG 4.000 . 6.300 4.642 4.464 4.766 . 0 0 "[ . 1 .]" 1
69 1 25 CYS QB 1 102 CYS H 3.000 . 4.600 3.592 3.024 4.268 . 0 0 "[ . 1 .]" 1
70 1 26 TYR H 1 26 TYR QD 3.000 . 5.600 3.222 2.784 3.989 . 0 0 "[ . 1 .]" 1
71 1 26 TYR H 1 26 TYR QE 4.000 . 7.000 4.560 4.164 5.849 . 0 0 "[ . 1 .]" 1
72 1 26 TYR H 1 27 HIS H 4.000 . 5.000 4.398 4.304 4.441 . 0 0 "[ . 1 .]" 1
73 1 26 TYR H 1 99 LEU QB 4.000 . 6.000 3.975 3.246 4.874 . 0 0 "[ . 1 .]" 1
74 1 26 TYR H 1 99 LEU QD 4.000 . 7.400 4.239 3.610 5.402 . 0 0 "[ . 1 .]" 1
75 1 26 TYR H 1 100 THR HA 4.000 . 5.000 4.652 4.157 4.993 . 0 0 "[ . 1 .]" 1
76 1 26 TYR H 1 101 GLN HA 3.000 . 3.600 3.354 2.977 3.671 0.071 6 0 "[ . 1 .]" 1
77 1 26 TYR H 1 101 GLN QB 4.000 . 6.000 5.074 4.817 5.330 . 0 0 "[ . 1 .]" 1
78 1 26 TYR H 1 101 GLN QG 4.000 . 6.000 4.987 4.659 5.268 . 0 0 "[ . 1 .]" 1
79 1 26 TYR H 1 102 CYS H 3.000 . 3.600 2.040 1.745 2.496 0.055 10 0 "[ . 1 .]" 1
80 1 26 TYR H 1 102 CYS HA 3.000 . 3.600 3.708 3.568 3.965 0.365 10 0 "[ . 1 .]" 1
81 1 26 TYR HA 1 27 HIS H 3.000 . 3.600 2.474 2.303 2.797 . 0 0 "[ . 1 .]" 1
82 1 26 TYR HA 1 30 GLY H 4.000 . 5.000 4.892 4.251 5.080 0.080 12 0 "[ . 1 .]" 1
83 1 26 TYR HA 1 102 CYS H 4.000 . 5.000 4.123 3.781 4.387 . 0 0 "[ . 1 .]" 1
84 1 26 TYR QB 1 26 TYR QE 4.000 . 8.000 3.963 3.959 3.969 . 0 0 "[ . 1 .]" 1
85 1 26 TYR QB 1 27 HIS H 3.000 . 4.600 2.598 1.832 2.998 . 0 0 "[ . 1 .]" 1
86 1 26 TYR QB 1 30 GLY H 4.000 . 6.000 2.944 2.452 3.236 . 0 0 "[ . 1 .]" 1
87 1 26 TYR QB 1 33 TYR H 4.000 . 6.000 5.096 4.390 5.273 . 0 0 "[ . 1 .]" 1
88 1 26 TYR QB 1 99 LEU QD 4.000 . 8.400 2.531 1.825 3.694 . 0 0 "[ . 1 .]" 1
89 1 26 TYR QD 1 29 ASP H 4.000 . 7.000 3.910 3.215 5.552 . 0 0 "[ . 1 .]" 1
90 1 26 TYR QD 1 30 GLY H 3.000 . 5.600 2.206 1.863 3.480 . 0 0 "[ . 1 .]" 1
91 1 26 TYR QD 1 31 GLN H 4.000 . 7.000 4.588 4.149 5.294 . 0 0 "[ . 1 .]" 1
92 1 26 TYR QD 1 99 LEU QB 4.000 . 8.000 1.963 1.686 3.112 0.114 15 0 "[ . 1 .]" 1
93 1 26 TYR QD 1 99 LEU QD 4.000 . 9.400 3.079 1.846 3.669 . 0 0 "[ . 1 .]" 1
94 1 26 TYR QD 1 100 THR H 4.000 . 7.000 2.826 2.026 4.481 . 0 0 "[ . 1 .]" 1
95 1 26 TYR QD 1 101 GLN H 4.000 . 7.000 4.228 3.820 4.520 . 0 0 "[ . 1 .]" 1
96 1 26 TYR QD 1 101 GLN QE 4.000 . 8.000 5.636 4.163 6.339 . 0 0 "[ . 1 .]" 1
97 1 26 TYR QD 1 102 CYS H 4.000 . 7.000 4.018 3.648 4.997 . 0 0 "[ . 1 .]" 1
98 1 26 TYR QE 1 27 HIS H 4.000 . 7.000 5.021 4.637 5.481 . 0 0 "[ . 1 .]" 1
99 1 26 TYR QE 1 30 GLY H 4.000 . 7.000 3.570 3.168 4.190 . 0 0 "[ . 1 .]" 1
100 1 26 TYR QE 1 99 LEU H 4.000 . 7.000 5.098 4.380 5.422 . 0 0 "[ . 1 .]" 1
101 1 26 TYR QE 1 99 LEU QD 4.000 . 9.400 4.404 1.830 4.914 . 0 0 "[ . 1 .]" 1
102 1 26 TYR QE 1 100 THR H 4.000 . 7.000 4.069 3.160 5.877 . 0 0 "[ . 1 .]" 1
103 1 26 TYR QE 1 101 GLN H 4.000 . 7.000 3.112 2.484 5.878 . 0 0 "[ . 1 .]" 1
104 1 27 HIS H 1 27 HIS HA 3.000 . 3.600 2.993 2.978 3.005 . 0 0 "[ . 1 .]" 1
105 1 27 HIS H 1 27 HIS QB 3.000 . 4.600 2.382 2.164 2.971 . 0 0 "[ . 1 .]" 1
106 1 27 HIS H 1 27 HIS HD2 4.000 . 5.000 4.685 3.827 5.027 0.027 5 0 "[ . 1 .]" 1
107 1 27 HIS H 1 30 GLY H 4.000 . 5.000 3.473 2.552 4.218 . 0 0 "[ . 1 .]" 1
108 1 27 HIS H 1 30 GLY QA 4.000 . 6.000 3.421 1.856 4.387 . 0 0 "[ . 1 .]" 1
109 1 27 HIS H 1 33 TYR QB 4.000 . 6.000 4.698 3.573 5.056 . 0 0 "[ . 1 .]" 1
110 1 27 HIS HA 1 28 GLY H 3.000 . 3.600 2.410 2.212 3.367 . 0 0 "[ . 1 .]" 1
111 1 27 HIS HA 1 102 CYS H 3.000 . 3.600 3.550 3.184 3.686 0.086 5 0 "[ . 1 .]" 1
112 1 27 HIS QB 1 28 GLY H 4.000 . 6.000 3.541 1.895 4.087 . 0 0 "[ . 1 .]" 1
113 1 27 HIS QB 1 30 GLY H 4.000 . 6.000 4.705 3.796 5.367 . 0 0 "[ . 1 .]" 1
114 1 28 GLY H 1 29 ASP H 4.000 . 5.000 4.102 3.589 4.514 . 0 0 "[ . 1 .]" 1
115 1 28 GLY H 1 30 GLY H 4.000 . 5.000 4.459 3.346 5.029 0.029 4 0 "[ . 1 .]" 1
116 1 28 GLY H 1 101 GLN QG 4.000 . 6.000 3.364 2.431 5.398 . 0 0 "[ . 1 .]" 1
117 1 28 GLY QA 1 29 ASP H 2.500 . 3.700 2.260 2.159 2.432 . 0 0 "[ . 1 .]" 1
118 1 28 GLY QA 1 30 GLY H 3.000 . 4.600 3.962 3.718 4.207 . 0 0 "[ . 1 .]" 1
119 1 28 GLY QA 1 31 GLN H 4.000 . 6.000 4.483 3.867 5.173 . 0 0 "[ . 1 .]" 1
120 1 28 GLY QA 1 101 GLN QE 4.000 . 7.000 4.459 2.980 5.306 . 0 0 "[ . 1 .]" 1
121 1 29 ASP H 1 29 ASP HA 3.000 . 3.600 2.980 2.966 2.989 . 0 0 "[ . 1 .]" 1
122 1 29 ASP H 1 29 ASP QB 3.000 . 4.600 2.501 2.301 2.704 . 0 0 "[ . 1 .]" 1
123 1 29 ASP H 1 30 GLY H 3.000 . 3.600 2.541 1.863 3.269 . 0 0 "[ . 1 .]" 1
124 1 29 ASP H 1 31 GLN H 3.000 . 3.600 2.620 2.214 3.001 . 0 0 "[ . 1 .]" 1
125 1 29 ASP H 1 31 GLN QB 4.000 . 6.000 3.133 2.318 3.927 . 0 0 "[ . 1 .]" 1
126 1 29 ASP H 1 76 ASN QD 4.000 . 6.000 4.981 4.756 5.259 . 0 0 "[ . 1 .]" 1
127 1 29 ASP HA 1 30 GLY H 3.000 . 3.600 2.888 2.592 3.189 . 0 0 "[ . 1 .]" 1
128 1 29 ASP HA 1 31 GLN H 3.000 . 3.600 3.943 3.889 3.977 0.377 13 0 "[ . 1 .]" 1
129 1 29 ASP HA 1 82 SER H 4.000 . 5.000 4.908 4.467 5.018 0.018 5 0 "[ . 1 .]" 1
130 1 29 ASP QB 1 30 GLY H 4.000 . 6.000 3.754 3.497 3.930 . 0 0 "[ . 1 .]" 1
131 1 29 ASP QB 1 76 ASN QD 4.000 . 7.000 2.822 2.206 3.853 . 0 0 "[ . 1 .]" 1
132 1 29 ASP QB 1 82 SER H 4.000 . 6.000 4.843 4.555 5.209 . 0 0 "[ . 1 .]" 1
133 1 30 GLY H 1 31 GLN H 3.000 . 3.600 2.639 2.538 2.738 . 0 0 "[ . 1 .]" 1
134 1 30 GLY H 1 33 TYR QB 4.000 . 6.000 4.862 3.453 5.099 . 0 0 "[ . 1 .]" 1
135 1 30 GLY H 1 76 ASN QD 4.000 . 6.000 4.583 3.741 5.321 . 0 0 "[ . 1 .]" 1
136 1 30 GLY H 1 82 SER HA 4.000 . 5.000 3.895 3.276 4.449 . 0 0 "[ . 1 .]" 1
137 1 30 GLY H 1 82 SER QB 4.000 . 6.000 4.832 2.543 5.437 . 0 0 "[ . 1 .]" 1
138 1 30 GLY H 1 101 GLN QG 4.000 . 6.000 5.234 4.424 5.436 . 0 0 "[ . 1 .]" 1
139 1 30 GLY QA 1 31 GLN H 4.000 . 6.000 2.934 2.919 2.950 . 0 0 "[ . 1 .]" 1
140 1 30 GLY QA 1 33 TYR H 4.000 . 6.000 3.714 3.292 4.448 . 0 0 "[ . 1 .]" 1
141 1 31 GLN H 1 31 GLN HA 3.000 . 3.600 2.893 2.780 2.967 . 0 0 "[ . 1 .]" 1
142 1 31 GLN H 1 31 GLN QB 2.500 . 3.700 2.072 1.926 2.512 . 0 0 "[ . 1 .]" 1
143 1 31 GLN H 1 31 GLN QG 3.000 . 4.600 3.317 2.164 3.970 . 0 0 "[ . 1 .]" 1
144 1 31 GLN H 1 33 TYR H 4.000 . 5.000 4.194 3.386 4.678 . 0 0 "[ . 1 .]" 1
145 1 31 GLN H 1 76 ASN QB 3.000 . 4.600 3.968 3.392 4.153 . 0 0 "[ . 1 .]" 1
146 1 31 GLN HA 1 33 TYR H 3.000 . 3.600 3.557 3.136 3.689 0.089 12 0 "[ . 1 .]" 1
147 1 31 GLN HA 1 76 ASN H 4.000 . 5.000 4.132 3.305 4.865 . 0 0 "[ . 1 .]" 1
148 1 31 GLN QE 1 79 ALA HA 4.000 . 6.000 3.453 1.879 4.979 . 0 0 "[ . 1 .]" 1
149 1 31 GLN QE 1 79 ALA MB 4.000 . 6.300 2.989 1.888 4.281 . 0 0 "[ . 1 .]" 1
150 1 31 GLN QG 1 76 ASN QD 4.000 . 7.000 3.429 1.742 5.450 0.058 5 0 "[ . 1 .]" 1
151 1 31 GLN QG 1 79 ALA H 4.000 . 6.000 4.244 3.242 5.256 . 0 0 "[ . 1 .]" 1
152 1 33 TYR H 1 33 TYR HA 3.000 . 3.600 2.844 2.746 2.943 . 0 0 "[ . 1 .]" 1
153 1 33 TYR H 1 33 TYR QB 3.000 . 4.600 2.126 2.001 2.203 . 0 0 "[ . 1 .]" 1
154 1 33 TYR H 1 33 TYR QD 3.000 . 5.600 4.034 3.712 4.156 . 0 0 "[ . 1 .]" 1
155 1 33 TYR H 1 76 ASN QB 4.000 . 6.000 4.659 2.951 5.330 . 0 0 "[ . 1 .]" 1
156 1 33 TYR QD 1 74 CYS H 4.000 . 7.000 5.515 5.013 6.247 . 0 0 "[ . 1 .]" 1
157 1 33 TYR QD 1 76 ASN H 4.000 . 7.000 5.658 4.849 6.569 . 0 0 "[ . 1 .]" 1
158 1 33 TYR QE 1 74 CYS H 4.000 . 7.000 5.014 3.925 6.120 . 0 0 "[ . 1 .]" 1
159 1 33 TYR QE 1 99 LEU QD 4.000 . 9.400 2.328 1.706 3.769 0.094 11 0 "[ . 1 .]" 1
160 1 35 GLY QA 1 36 SER H 3.000 . 4.600 2.325 2.165 2.853 . 0 0 "[ . 1 .]" 1
161 1 35 GLY QA 1 37 PHE H 3.000 . 4.600 3.845 3.524 4.056 . 0 0 "[ . 1 .]" 1
162 1 36 SER H 1 36 SER HA 3.000 . 3.600 2.979 2.887 3.006 . 0 0 "[ . 1 .]" 1
163 1 36 SER H 1 36 SER QB 3.000 . 4.600 2.789 2.295 3.163 . 0 0 "[ . 1 .]" 1
164 1 36 SER H 1 37 PHE H 3.000 . 3.600 3.205 1.948 3.635 0.035 15 0 "[ . 1 .]" 1
165 1 36 SER H 1 37 PHE QB 4.000 . 6.000 4.339 3.258 5.038 . 0 0 "[ . 1 .]" 1
166 1 36 SER HA 1 37 PHE H 3.000 . 3.600 2.672 2.507 3.096 . 0 0 "[ . 1 .]" 1
167 1 36 SER HA 1 74 CYS H 3.000 . 3.600 3.482 2.870 3.686 0.086 13 0 "[ . 1 .]" 1
168 1 36 SER QB 1 37 PHE H 4.000 . 6.000 3.977 3.732 4.082 . 0 0 "[ . 1 .]" 1
169 1 37 PHE H 1 37 PHE HA 3.000 . 3.600 2.919 2.855 2.958 . 0 0 "[ . 1 .]" 1
170 1 37 PHE H 1 37 PHE QB 3.000 . 4.600 2.185 2.096 2.258 . 0 0 "[ . 1 .]" 1
171 1 37 PHE H 1 38 SER H 4.000 . 5.000 3.762 3.444 4.067 . 0 0 "[ . 1 .]" 1
172 1 37 PHE H 1 73 TYR HA 4.000 . 5.000 4.559 3.856 5.047 0.047 9 0 "[ . 1 .]" 1
173 1 37 PHE H 1 74 CYS H 4.000 . 5.000 3.391 2.430 3.829 . 0 0 "[ . 1 .]" 1
174 1 37 PHE H 1 99 LEU QD 4.000 . 7.400 4.788 4.189 5.281 . 0 0 "[ . 1 .]" 1
175 1 37 PHE HA 1 38 SER H 2.500 . 2.700 2.549 2.342 2.712 0.012 13 0 "[ . 1 .]" 1
176 1 37 PHE HA 1 39 THR H 3.000 . 3.600 3.668 3.244 3.746 0.146 10 0 "[ . 1 .]" 1
177 1 37 PHE HA 1 74 CYS H 4.000 . 5.000 4.774 4.322 5.014 0.014 12 0 "[ . 1 .]" 1
178 1 37 PHE QB 1 38 SER H 4.000 . 6.000 4.012 3.952 4.044 . 0 0 "[ . 1 .]" 1
179 1 37 PHE QB 1 39 THR H 4.000 . 6.000 3.683 3.349 3.909 . 0 0 "[ . 1 .]" 1
180 1 37 PHE QB 1 99 LEU QD 4.000 . 8.400 2.876 2.365 3.344 . 0 0 "[ . 1 .]" 1
181 1 37 PHE QD 1 38 SER H 3.000 . 5.600 4.346 2.800 4.715 . 0 0 "[ . 1 .]" 1
182 1 37 PHE QD 1 39 THR H 2.500 . 4.700 3.029 2.084 3.688 . 0 0 "[ . 1 .]" 1
183 1 37 PHE QD 1 99 LEU QD 4.000 . 9.400 2.366 1.788 3.075 0.012 12 0 "[ . 1 .]" 1
184 1 37 PHE QE 1 39 THR H 2.500 . 4.700 3.988 3.537 4.467 . 0 0 "[ . 1 .]" 1
185 1 37 PHE QE 1 98 ASN H 3.000 . 5.600 2.459 1.862 4.543 . 0 0 "[ . 1 .]" 1
186 1 37 PHE HZ 1 98 ASN QD 3.000 . 4.600 3.485 3.132 3.842 . 0 0 "[ . 1 .]" 1
187 1 38 SER H 1 38 SER HA 3.000 . 3.600 2.873 2.839 2.904 . 0 0 "[ . 1 .]" 1
188 1 38 SER H 1 38 SER QB 3.000 . 4.600 2.378 2.014 2.863 . 0 0 "[ . 1 .]" 1
189 1 38 SER H 1 39 THR H 3.000 . 3.600 3.419 2.943 3.552 . 0 0 "[ . 1 .]" 1
190 1 38 SER H 1 73 TYR HA 3.000 . 3.600 3.730 3.690 3.805 0.205 8 0 "[ . 1 .]" 1
191 1 38 SER HA 1 39 THR H 3.000 . 3.600 2.928 2.833 3.380 . 0 0 "[ . 1 .]" 1
192 1 38 SER HA 1 46 CYS H 4.000 . 5.000 4.095 2.994 5.125 0.125 10 0 "[ . 1 .]" 1
193 1 38 SER HA 1 74 CYS H 3.000 . 3.600 2.939 2.514 3.507 . 0 0 "[ . 1 .]" 1
194 1 38 SER QB 1 39 THR H 4.000 . 6.000 3.994 3.856 4.093 . 0 0 "[ . 1 .]" 1
195 1 38 SER QB 1 46 CYS H 4.000 . 6.000 3.699 2.347 5.019 . 0 0 "[ . 1 .]" 1
196 1 38 SER QB 1 73 TYR H 4.000 . 6.000 4.422 3.274 5.130 . 0 0 "[ . 1 .]" 1
197 1 38 SER QB 1 74 CYS H 4.000 . 6.000 3.778 2.794 4.707 . 0 0 "[ . 1 .]" 1
198 1 39 THR H 1 39 THR HA 3.000 . 3.600 2.991 2.978 3.000 . 0 0 "[ . 1 .]" 1
199 1 39 THR H 1 39 THR HB 3.000 . 3.600 2.707 2.267 3.532 . 0 0 "[ . 1 .]" 1
200 1 39 THR H 1 39 THR MG 4.000 . 5.300 3.804 3.570 3.927 . 0 0 "[ . 1 .]" 1
201 1 39 THR H 1 40 THR H 4.000 . 5.000 4.402 4.211 4.499 . 0 0 "[ . 1 .]" 1
202 1 39 THR H 1 40 THR HA 4.000 . 5.000 4.883 4.637 5.047 0.047 8 0 "[ . 1 .]" 1
203 1 39 THR H 1 99 LEU QD 4.000 . 7.400 4.877 4.274 5.444 . 0 0 "[ . 1 .]" 1
204 1 39 THR HA 1 39 THR MG 3.000 . 3.900 2.259 2.019 2.488 . 0 0 "[ . 1 .]" 1
205 1 39 THR HA 1 40 THR H 2.500 . 2.700 2.247 2.210 2.343 . 0 0 "[ . 1 .]" 1
206 1 39 THR HA 1 46 CYS H 3.000 . 3.600 3.499 3.019 3.642 0.042 12 0 "[ . 1 .]" 1
207 1 39 THR HB 1 40 THR H 4.000 . 5.000 4.048 3.640 4.418 . 0 0 "[ . 1 .]" 1
208 1 39 THR MG 1 40 THR H 4.000 . 5.300 2.691 1.997 3.640 . 0 0 "[ . 1 .]" 1
209 1 39 THR MG 1 43 GLY H 4.000 . 5.300 3.683 3.314 4.201 . 0 0 "[ . 1 .]" 1
210 1 39 THR MG 1 43 GLY QA 4.000 . 6.300 2.473 2.156 2.840 . 0 0 "[ . 1 .]" 1
211 1 39 THR MG 1 44 ARG H 4.000 . 5.300 4.087 3.749 4.260 . 0 0 "[ . 1 .]" 1
212 1 40 THR H 1 40 THR HB 4.000 . 5.000 3.549 3.450 3.590 . 0 0 "[ . 1 .]" 1
213 1 40 THR H 1 40 THR MG 3.000 . 3.900 2.337 2.008 2.879 . 0 0 "[ . 1 .]" 1
214 1 40 THR H 1 41 VAL H 4.000 . 5.000 4.616 4.557 4.659 . 0 0 "[ . 1 .]" 1
215 1 40 THR H 1 43 GLY H 4.000 . 5.000 3.753 3.118 3.961 . 0 0 "[ . 1 .]" 1
216 1 40 THR H 1 43 GLY QA 4.000 . 6.000 3.956 3.608 4.282 . 0 0 "[ . 1 .]" 1
217 1 40 THR H 1 44 ARG H 4.000 . 5.000 3.417 2.368 3.883 . 0 0 "[ . 1 .]" 1
218 1 40 THR H 1 44 ARG QB 4.000 . 6.000 3.733 2.512 4.223 . 0 0 "[ . 1 .]" 1
219 1 40 THR H 1 45 THR H 4.000 . 5.000 4.694 4.219 5.039 0.039 7 0 "[ . 1 .]" 1
220 1 40 THR H 1 45 THR HA 4.000 . 5.000 3.629 3.052 4.621 . 0 0 "[ . 1 .]" 1
221 1 40 THR H 1 46 CYS H 4.000 . 5.000 3.864 3.308 4.264 . 0 0 "[ . 1 .]" 1
222 1 40 THR H 1 97 CYS HA 4.000 . 5.000 4.537 4.142 5.008 0.008 10 0 "[ . 1 .]" 1
223 1 40 THR HA 1 41 VAL H 3.000 . 3.600 2.451 2.298 2.573 . 0 0 "[ . 1 .]" 1
224 1 40 THR HA 1 42 THR H 4.000 . 5.000 4.373 3.979 4.750 . 0 0 "[ . 1 .]" 1
225 1 40 THR HA 1 98 ASN H 3.000 . 3.600 3.626 3.422 3.737 0.137 1 0 "[ . 1 .]" 1
226 1 40 THR HB 1 41 VAL H 3.000 . 3.600 2.558 2.272 2.919 . 0 0 "[ . 1 .]" 1
227 1 40 THR HB 1 41 VAL QG 4.000 . 7.400 4.239 3.971 4.429 . 0 0 "[ . 1 .]" 1
228 1 40 THR HB 1 96 TYR H 4.000 . 5.000 4.740 3.971 5.023 0.023 3 0 "[ . 1 .]" 1
229 1 40 THR HG1 1 41 VAL H 4.000 . 5.000 3.861 3.412 4.494 . 0 0 "[ . 1 .]" 1
230 1 40 THR HG1 1 42 THR H 3.000 . 3.600 2.772 2.117 3.614 0.014 14 0 "[ . 1 .]" 1
231 1 40 THR HG1 1 43 GLY H 4.000 . 5.000 2.789 2.268 3.490 . 0 0 "[ . 1 .]" 1
232 1 40 THR HG1 1 44 ARG H 3.000 . 3.600 2.084 1.884 3.020 . 0 0 "[ . 1 .]" 1
233 1 40 THR MG 1 44 ARG H 4.000 . 5.300 3.909 3.325 4.295 . 0 0 "[ . 1 .]" 1
234 1 40 THR MG 1 46 CYS H 4.000 . 5.300 2.931 2.382 3.366 . 0 0 "[ . 1 .]" 1
235 1 40 THR MG 1 85 CYS H 4.000 . 5.300 4.178 3.985 4.328 . 0 0 "[ . 1 .]" 1
236 1 40 THR MG 1 88 MET H 4.000 . 5.300 4.329 4.101 4.439 . 0 0 "[ . 1 .]" 1
237 1 40 THR MG 1 95 GLU H 4.000 . 5.300 3.782 3.526 4.173 . 0 0 "[ . 1 .]" 1
238 1 41 VAL H 1 41 VAL HA 3.000 . 3.600 2.822 2.769 2.893 . 0 0 "[ . 1 .]" 1
239 1 41 VAL H 1 41 VAL HB 3.000 . 3.600 2.206 2.042 2.320 . 0 0 "[ . 1 .]" 1
240 1 41 VAL H 1 41 VAL QG 3.000 . 6.000 2.335 2.166 2.640 . 0 0 "[ . 1 .]" 1
241 1 41 VAL H 1 42 THR H 4.000 . 5.000 2.802 2.634 2.990 . 0 0 "[ . 1 .]" 1
242 1 41 VAL H 1 43 GLY H 4.000 . 5.000 4.024 3.871 4.163 . 0 0 "[ . 1 .]" 1
243 1 41 VAL H 1 95 GLU QB 4.000 . 6.000 3.308 2.784 3.864 . 0 0 "[ . 1 .]" 1
244 1 41 VAL H 1 97 CYS HA 4.000 . 5.000 2.872 2.023 3.439 . 0 0 "[ . 1 .]" 1
245 1 41 VAL HA 1 41 VAL QG 3.000 . 6.000 2.053 1.927 2.121 . 0 0 "[ . 1 .]" 1
246 1 41 VAL HA 1 42 THR H 4.000 . 5.000 3.551 3.499 3.589 . 0 0 "[ . 1 .]" 1
247 1 41 VAL HA 1 43 GLY H 4.000 . 5.000 3.776 3.601 4.236 . 0 0 "[ . 1 .]" 1
248 1 41 VAL HA 1 98 ASN H 3.000 . 3.600 3.150 2.685 3.623 0.023 12 0 "[ . 1 .]" 1
249 1 41 VAL HA 1 98 ASN QB 4.000 . 6.000 3.694 3.187 4.184 . 0 0 "[ . 1 .]" 1
250 1 41 VAL HA 1 98 ASN QD 4.000 . 6.000 3.315 2.641 4.198 . 0 0 "[ . 1 .]" 1
251 1 41 VAL HA 1 99 LEU H 4.000 . 5.000 4.754 4.202 5.055 0.055 8 0 "[ . 1 .]" 1
252 1 41 VAL HB 1 42 THR H 4.000 . 5.000 2.722 2.445 3.107 . 0 0 "[ . 1 .]" 1
253 1 41 VAL HB 1 43 GLY H 4.000 . 5.000 4.782 4.588 5.013 0.013 1 0 "[ . 1 .]" 1
254 1 41 VAL HB 1 96 TYR H 3.000 . 3.600 3.612 3.526 3.659 0.059 12 0 "[ . 1 .]" 1
255 1 41 VAL QG 1 42 THR H 4.000 . 7.400 3.016 2.671 3.314 . 0 0 "[ . 1 .]" 1
256 1 41 VAL QG 1 43 GLY H 4.000 . 7.400 4.174 4.046 4.506 . 0 0 "[ . 1 .]" 1
257 1 41 VAL QG 1 95 GLU QB 3.000 . 7.000 4.158 3.577 4.690 . 0 0 "[ . 1 .]" 1
258 1 41 VAL QG 1 96 TYR H 4.000 . 7.400 3.217 2.575 3.630 . 0 0 "[ . 1 .]" 1
259 1 41 VAL QG 1 96 TYR QB 4.000 . 8.400 1.902 1.726 2.379 0.074 15 0 "[ . 1 .]" 1
260 1 41 VAL QG 1 98 ASN H 4.000 . 7.400 3.431 3.000 3.792 . 0 0 "[ . 1 .]" 1
261 1 41 VAL QG 1 98 ASN HA 3.000 . 6.000 2.637 2.128 3.425 . 0 0 "[ . 1 .]" 1
262 1 41 VAL QG 1 98 ASN QB 4.000 . 8.400 4.058 3.701 4.559 . 0 0 "[ . 1 .]" 1
263 1 41 VAL QG 1 98 ASN QD 4.000 . 8.400 3.997 3.459 4.707 . 0 0 "[ . 1 .]" 1
264 1 41 VAL QG 1 99 LEU H 4.000 . 7.400 3.368 2.769 4.069 . 0 0 "[ . 1 .]" 1
265 1 42 THR H 1 42 THR HA 3.000 . 3.600 2.899 2.839 2.959 . 0 0 "[ . 1 .]" 1
266 1 42 THR H 1 42 THR HB 3.000 . 3.600 2.598 2.232 3.241 . 0 0 "[ . 1 .]" 1
267 1 42 THR H 1 42 THR MG 4.000 . 5.300 3.628 3.201 3.752 . 0 0 "[ . 1 .]" 1
268 1 42 THR H 1 43 GLY H 2.500 . 2.700 2.581 2.295 2.718 0.018 15 0 "[ . 1 .]" 1
269 1 42 THR H 1 43 GLY QA 4.000 . 6.000 4.550 4.332 4.676 . 0 0 "[ . 1 .]" 1
270 1 42 THR H 1 44 ARG QB 4.000 . 6.000 4.295 3.891 4.545 . 0 0 "[ . 1 .]" 1
271 1 42 THR H 1 95 GLU QB 4.000 . 6.000 3.887 3.532 4.314 . 0 0 "[ . 1 .]" 1
272 1 42 THR HA 1 43 GLY H 3.000 . 3.600 3.402 3.277 3.486 . 0 0 "[ . 1 .]" 1
273 1 42 THR HB 1 43 GLY H 3.000 . 3.600 3.292 2.960 3.580 . 0 0 "[ . 1 .]" 1
274 1 42 THR MG 1 43 GLY H 4.000 . 5.300 4.057 3.781 4.381 . 0 0 "[ . 1 .]" 1
275 1 42 THR MG 1 44 ARG H 4.000 . 5.300 3.730 3.003 4.482 . 0 0 "[ . 1 .]" 1
276 1 43 GLY H 1 43 GLY QA 2.500 . 3.700 2.315 2.270 2.356 . 0 0 "[ . 1 .]" 1
277 1 43 GLY H 1 44 ARG H 2.500 . 2.700 2.310 1.997 2.467 . 0 0 "[ . 1 .]" 1
278 1 43 GLY H 1 44 ARG QB 3.000 . 4.600 3.967 3.811 4.136 . 0 0 "[ . 1 .]" 1
279 1 43 GLY H 1 98 ASN QB 4.000 . 6.000 5.181 4.793 5.326 . 0 0 "[ . 1 .]" 1
280 1 43 GLY QA 1 44 ARG H 3.000 . 4.600 2.922 2.851 2.940 . 0 0 "[ . 1 .]" 1
281 1 44 ARG H 1 44 ARG QB 3.000 . 4.600 2.034 1.941 2.226 . 0 0 "[ . 1 .]" 1
282 1 44 ARG H 1 44 ARG QD 4.000 . 6.000 4.100 3.001 4.825 . 0 0 "[ . 1 .]" 1
283 1 44 ARG H 1 44 ARG HE 4.000 . 5.000 4.817 3.878 5.037 0.037 10 0 "[ . 1 .]" 1
284 1 44 ARG H 1 44 ARG QG 3.000 . 4.600 3.620 2.391 3.973 . 0 0 "[ . 1 .]" 1
285 1 44 ARG H 1 45 THR H 4.000 . 5.000 4.457 4.375 4.533 . 0 0 "[ . 1 .]" 1
286 1 44 ARG HA 1 45 THR H 2.500 . 2.700 2.750 2.682 2.822 0.122 3 0 "[ . 1 .]" 1
287 1 44 ARG QB 1 45 THR H 3.000 . 4.600 2.277 1.824 2.639 . 0 0 "[ . 1 .]" 1
288 1 44 ARG QB 1 88 MET H 4.000 . 6.000 4.576 3.731 4.910 . 0 0 "[ . 1 .]" 1
289 1 44 ARG QD 1 92 VAL QG 4.000 . 8.400 3.231 2.377 3.658 . 0 0 "[ . 1 .]" 1
290 1 44 ARG HE 1 89 ASP QB 3.000 . 4.600 3.842 3.545 4.168 . 0 0 "[ . 1 .]" 1
291 1 44 ARG HE 1 92 VAL HB 3.000 . 3.600 3.509 3.086 3.637 0.037 7 0 "[ . 1 .]" 1
292 1 44 ARG HE 1 92 VAL QG 4.000 . 7.400 2.158 1.798 2.574 0.002 3 0 "[ . 1 .]" 1
293 1 44 ARG QG 1 45 THR H 3.000 . 4.600 2.439 1.821 3.933 . 0 0 "[ . 1 .]" 1
294 1 45 THR H 1 45 THR HA 3.000 . 3.600 3.000 2.989 3.007 . 0 0 "[ . 1 .]" 1
295 1 45 THR H 1 45 THR HB 2.500 . 2.700 2.491 2.292 2.712 0.012 1 0 "[ . 1 .]" 1
296 1 45 THR H 1 45 THR MG 4.000 . 5.300 3.654 2.052 3.887 . 0 0 "[ . 1 .]" 1
297 1 45 THR H 1 87 THR MG 4.000 . 5.300 4.255 4.159 4.399 . 0 0 "[ . 1 .]" 1
298 1 45 THR H 1 88 MET H 4.000 . 5.000 3.953 3.131 4.297 . 0 0 "[ . 1 .]" 1
299 1 45 THR H 1 88 MET QB 4.000 . 6.000 4.048 3.502 4.804 . 0 0 "[ . 1 .]" 1
300 1 45 THR HA 1 45 THR MG 3.000 . 3.900 2.401 2.074 3.161 . 0 0 "[ . 1 .]" 1
301 1 45 THR HB 1 88 MET H 4.000 . 5.000 3.898 3.100 5.126 0.126 10 0 "[ . 1 .]" 1
302 1 45 THR MG 1 46 CYS H 3.000 . 3.900 2.785 2.293 3.216 . 0 0 "[ . 1 .]" 1
303 1 45 THR MG 1 72 ASN QD 4.000 . 6.300 3.634 2.939 4.463 . 0 0 "[ . 1 .]" 1
304 1 45 THR MG 1 88 MET H 4.000 . 5.300 3.747 2.466 4.319 . 0 0 "[ . 1 .]" 1
305 1 45 THR MG 1 88 MET QB 4.000 . 6.300 2.474 1.592 3.631 0.208 10 0 "[ . 1 .]" 1
306 1 46 CYS H 1 46 CYS HA 2.500 . 2.700 2.819 2.409 2.892 0.192 15 0 "[ . 1 .]" 1
307 1 46 CYS H 1 46 CYS QB 3.000 . 4.600 2.152 1.913 2.645 . 0 0 "[ . 1 .]" 1
308 1 46 CYS H 1 47 GLN H 4.000 . 5.000 4.592 4.104 4.681 . 0 0 "[ . 1 .]" 1
309 1 46 CYS H 1 72 ASN QB 4.000 . 6.000 4.631 3.558 5.457 . 0 0 "[ . 1 .]" 1
310 1 46 CYS H 1 72 ASN QD 3.000 . 4.600 3.644 2.589 4.173 . 0 0 "[ . 1 .]" 1
311 1 46 CYS H 1 87 THR HA 4.000 . 5.000 4.634 3.661 5.050 0.050 13 0 "[ . 1 .]" 1
312 1 46 CYS QB 1 47 GLN H 4.000 . 6.000 3.411 2.624 4.028 . 0 0 "[ . 1 .]" 1
313 1 46 CYS QB 1 86 TYR H 4.000 . 6.000 4.488 3.344 5.279 . 0 0 "[ . 1 .]" 1
314 1 47 GLN H 1 47 GLN HA 3.000 . 3.600 2.932 2.809 2.962 . 0 0 "[ . 1 .]" 1
315 1 47 GLN H 1 47 GLN QB 3.000 . 4.600 2.150 2.102 2.209 . 0 0 "[ . 1 .]" 1
316 1 47 GLN H 1 47 GLN QG 4.000 . 6.000 3.896 3.750 3.989 . 0 0 "[ . 1 .]" 1
317 1 47 GLN H 1 48 SER H 4.000 . 5.000 4.588 4.452 4.689 . 0 0 "[ . 1 .]" 1
318 1 47 GLN H 1 86 TYR H 4.000 . 5.000 4.081 3.554 4.854 . 0 0 "[ . 1 .]" 1
319 1 47 GLN H 1 86 TYR QB 4.000 . 6.000 2.897 2.473 3.427 . 0 0 "[ . 1 .]" 1
320 1 47 GLN H 1 87 THR H 4.000 . 5.000 3.606 3.056 4.029 . 0 0 "[ . 1 .]" 1
321 1 47 GLN H 1 87 THR HA 3.000 . 3.600 2.640 2.057 3.088 . 0 0 "[ . 1 .]" 1
322 1 47 GLN H 1 88 MET H 4.000 . 5.000 3.175 2.496 3.556 . 0 0 "[ . 1 .]" 1
323 1 47 GLN HA 1 48 SER H 2.500 . 2.700 2.278 2.211 2.351 . 0 0 "[ . 1 .]" 1
324 1 47 GLN HA 1 88 MET H 3.000 . 3.600 3.686 3.660 3.715 0.115 3 0 "[ . 1 .]" 1
325 1 47 GLN QB 1 48 SER H 4.000 . 6.000 3.722 3.515 3.926 . 0 0 "[ . 1 .]" 1
326 1 47 GLN QB 1 55 HIS H 4.000 . 6.000 4.922 4.250 5.405 . 0 0 "[ . 1 .]" 1
327 1 47 GLN QB 1 86 TYR H 4.000 . 6.000 4.313 3.963 4.751 . 0 0 "[ . 1 .]" 1
328 1 47 GLN QB 1 86 TYR QD 3.000 . 6.600 3.793 3.536 4.238 . 0 0 "[ . 1 .]" 1
329 1 47 GLN QB 1 87 THR H 4.000 . 6.000 3.129 2.666 3.810 . 0 0 "[ . 1 .]" 1
330 1 47 GLN QB 1 88 MET H 3.000 . 4.600 3.071 2.789 3.329 . 0 0 "[ . 1 .]" 1
331 1 47 GLN QG 1 48 SER H 3.000 . 4.600 2.753 1.947 3.412 . 0 0 "[ . 1 .]" 1
332 1 47 GLN QG 1 51 SER H 4.000 . 6.000 3.689 3.459 4.258 . 0 0 "[ . 1 .]" 1
333 1 47 GLN QG 1 53 THR H 4.000 . 6.000 4.990 4.668 5.346 . 0 0 "[ . 1 .]" 1
334 1 47 GLN QG 1 55 HIS H 4.000 . 6.000 4.006 3.246 5.301 . 0 0 "[ . 1 .]" 1
335 1 47 GLN QG 1 86 TYR QD 4.000 . 8.000 3.944 3.089 5.155 . 0 0 "[ . 1 .]" 1
336 1 48 SER H 1 48 SER HA 3.000 . 3.600 2.769 2.724 2.821 . 0 0 "[ . 1 .]" 1
337 1 48 SER H 1 48 SER QB 3.000 . 4.600 2.233 1.931 2.750 . 0 0 "[ . 1 .]" 1
338 1 48 SER H 1 51 SER H 4.000 . 5.000 5.050 4.946 5.105 0.105 13 0 "[ . 1 .]" 1
339 1 48 SER H 1 51 SER QB 3.000 . 4.600 3.546 3.070 4.096 . 0 0 "[ . 1 .]" 1
340 1 48 SER H 1 72 ASN HA 3.000 . 3.600 3.687 3.582 3.782 0.182 14 0 "[ . 1 .]" 1
341 1 48 SER H 1 72 ASN QB 4.000 . 6.000 2.630 2.233 3.125 . 0 0 "[ . 1 .]" 1
342 1 48 SER HA 1 49 TRP H 3.000 . 3.600 2.303 2.245 2.412 . 0 0 "[ . 1 .]" 1
343 1 48 SER HA 1 49 TRP HD1 4.000 . 5.000 3.772 3.509 4.278 . 0 0 "[ . 1 .]" 1
344 1 48 SER HA 1 72 ASN H 4.000 . 5.000 3.470 2.955 4.380 . 0 0 "[ . 1 .]" 1
345 1 48 SER HA 1 73 TYR H 4.000 . 5.000 4.110 3.693 4.495 . 0 0 "[ . 1 .]" 1
346 1 48 SER QB 1 50 SER H 3.000 . 4.600 2.815 2.565 3.121 . 0 0 "[ . 1 .]" 1
347 1 48 SER QB 1 51 SER H 2.500 . 3.700 3.214 2.927 3.372 . 0 0 "[ . 1 .]" 1
348 1 49 TRP H 1 49 TRP HA 3.000 . 3.600 2.872 2.833 2.908 . 0 0 "[ . 1 .]" 1
349 1 49 TRP H 1 49 TRP QB 3.000 . 4.600 2.422 2.302 2.631 . 0 0 "[ . 1 .]" 1
350 1 49 TRP H 1 49 TRP HD1 3.000 . 3.600 2.218 2.055 2.629 . 0 0 "[ . 1 .]" 1
351 1 49 TRP H 1 49 TRP HE1 4.000 . 5.000 4.166 3.849 4.473 . 0 0 "[ . 1 .]" 1
352 1 49 TRP H 1 50 SER QB 3.000 . 4.600 4.233 4.141 4.294 . 0 0 "[ . 1 .]" 1
353 1 49 TRP H 1 72 ASN HA 3.000 . 3.600 3.178 2.673 3.682 0.082 15 0 "[ . 1 .]" 1
354 1 49 TRP H 1 72 ASN QB 4.000 . 6.000 4.641 4.231 5.070 . 0 0 "[ . 1 .]" 1
355 1 49 TRP HA 1 50 SER H 4.000 . 5.000 3.523 3.497 3.546 . 0 0 "[ . 1 .]" 1
356 1 49 TRP HA 1 51 SER H 4.000 . 5.000 3.519 3.412 3.596 . 0 0 "[ . 1 .]" 1
357 1 49 TRP QB 1 50 SER H 3.000 . 4.600 2.526 2.314 2.795 . 0 0 "[ . 1 .]" 1
358 1 49 TRP QB 1 69 LEU QD 4.000 . 8.400 3.150 2.245 4.344 . 0 0 "[ . 1 .]" 1
359 1 49 TRP QB 1 86 TYR QD 3.000 . 6.600 4.325 4.002 4.621 . 0 0 "[ . 1 .]" 1
360 1 49 TRP HD1 1 73 TYR H 3.000 . 3.600 3.627 3.398 3.740 0.140 3 0 "[ . 1 .]" 1
361 1 49 TRP HD1 1 73 TYR QB 4.000 . 6.000 4.031 3.447 4.611 . 0 0 "[ . 1 .]" 1
362 1 49 TRP HE1 1 69 LEU HA 4.000 . 5.000 3.452 2.881 4.280 . 0 0 "[ . 1 .]" 1
363 1 49 TRP HE1 1 69 LEU QD 4.000 . 7.400 2.323 1.813 3.176 . 0 0 "[ . 1 .]" 1
364 1 49 TRP HE1 1 70 THR H 4.000 . 5.000 5.055 4.981 5.138 0.138 2 0 "[ . 1 .]" 1
365 1 49 TRP HE1 1 72 ASN HA 4.000 . 5.000 4.113 3.697 4.779 . 0 0 "[ . 1 .]" 1
366 1 49 TRP HE1 1 73 TYR H 3.000 . 3.600 3.309 2.651 3.628 0.028 5 0 "[ . 1 .]" 1
367 1 49 TRP HE1 1 73 TYR QB 4.000 . 6.000 3.070 2.601 3.427 . 0 0 "[ . 1 .]" 1
368 1 49 TRP HE1 1 74 CYS HA 4.000 . 5.000 4.042 3.603 4.796 . 0 0 "[ . 1 .]" 1
369 1 49 TRP HE1 1 75 ARG H 4.000 . 5.000 4.508 3.979 5.036 0.036 15 0 "[ . 1 .]" 1
370 1 49 TRP HE1 1 75 ARG QB 3.000 . 4.600 3.734 3.479 3.873 . 0 0 "[ . 1 .]" 1
371 1 49 TRP HE1 1 75 ARG QG 4.000 . 6.000 4.778 3.614 5.393 . 0 0 "[ . 1 .]" 1
372 1 49 TRP HH2 1 75 ARG H 4.000 . 5.000 3.428 2.956 4.106 . 0 0 "[ . 1 .]" 1
373 1 49 TRP HH2 1 84 TRP HZ2 4.000 . 5.000 4.818 3.755 5.019 0.019 11 0 "[ . 1 .]" 1
374 1 49 TRP HH2 1 86 TYR H 4.000 . 5.000 4.453 3.513 5.013 0.013 14 0 "[ . 1 .]" 1
375 1 49 TRP HZ2 1 75 ARG H 3.000 . 3.600 2.233 1.876 2.744 . 0 0 "[ . 1 .]" 1
376 1 50 SER H 1 50 SER HA 3.000 . 3.600 2.919 2.913 2.928 . 0 0 "[ . 1 .]" 1
377 1 50 SER H 1 50 SER QB 3.000 . 4.600 2.150 2.115 2.174 . 0 0 "[ . 1 .]" 1
378 1 50 SER H 1 51 SER H 3.000 . 3.600 2.947 2.663 3.126 . 0 0 "[ . 1 .]" 1
379 1 50 SER H 1 60 THR HB 4.000 . 5.000 4.818 4.019 5.080 0.080 13 0 "[ . 1 .]" 1
380 1 50 SER HA 1 51 SER H 3.000 . 3.600 3.140 3.047 3.287 . 0 0 "[ . 1 .]" 1
381 1 50 SER QB 1 51 SER H 3.000 . 4.600 3.643 3.417 3.769 . 0 0 "[ . 1 .]" 1
382 1 51 SER H 1 51 SER HA 3.000 . 3.600 2.906 2.832 2.969 . 0 0 "[ . 1 .]" 1
383 1 51 SER H 1 51 SER QB 3.000 . 4.600 2.247 2.028 2.651 . 0 0 "[ . 1 .]" 1
384 1 51 SER H 1 52 MET H 4.000 . 5.000 4.487 4.071 4.629 . 0 0 "[ . 1 .]" 1
385 1 51 SER H 1 52 MET ME 4.000 . 5.300 4.315 4.160 4.488 . 0 0 "[ . 1 .]" 1
386 1 51 SER HA 1 52 MET H 2.500 . 2.700 2.230 2.206 2.329 . 0 0 "[ . 1 .]" 1
387 1 51 SER HA 1 53 THR H 3.000 . 3.600 3.604 3.518 3.709 0.109 4 0 "[ . 1 .]" 1
388 1 51 SER QB 1 52 MET H 4.000 . 6.000 3.506 2.956 4.003 . 0 0 "[ . 1 .]" 1
389 1 51 SER QB 1 53 THR H 3.000 . 4.600 3.458 2.904 4.099 . 0 0 "[ . 1 .]" 1
390 1 52 MET H 1 52 MET HA 3.000 . 3.600 2.991 2.955 3.011 . 0 0 "[ . 1 .]" 1
391 1 52 MET H 1 52 MET QB 3.000 . 4.600 2.652 2.261 3.277 . 0 0 "[ . 1 .]" 1
392 1 52 MET H 1 52 MET ME 4.000 . 5.300 3.912 3.488 4.526 . 0 0 "[ . 1 .]" 1
393 1 52 MET H 1 52 MET QG 3.000 . 4.600 2.433 2.127 3.553 . 0 0 "[ . 1 .]" 1
394 1 52 MET H 1 53 THR H 3.000 . 3.600 2.311 1.831 3.094 . 0 0 "[ . 1 .]" 1
395 1 52 MET H 1 53 THR MG 4.000 . 5.300 4.055 2.493 4.307 . 0 0 "[ . 1 .]" 1
396 1 52 MET HA 1 53 THR H 4.000 . 5.000 3.174 2.895 3.391 . 0 0 "[ . 1 .]" 1
397 1 52 MET HA 1 56 TRP H 4.000 . 5.000 4.489 3.765 5.061 0.061 15 0 "[ . 1 .]" 1
398 1 52 MET HA 1 56 TRP HE1 4.000 . 5.000 5.089 5.004 5.295 0.295 11 0 "[ . 1 .]" 1
399 1 52 MET HA 1 57 HIS H 4.000 . 5.000 3.833 3.426 4.171 . 0 0 "[ . 1 .]" 1
400 1 52 MET QB 1 56 TRP HD1 4.000 . 6.000 4.964 3.496 5.433 . 0 0 "[ . 1 .]" 1
401 1 52 MET QB 1 56 TRP HE1 4.000 . 6.000 4.415 3.439 5.361 . 0 0 "[ . 1 .]" 1
402 1 52 MET QB 1 56 TRP HH2 4.000 . 6.000 3.323 2.838 4.178 . 0 0 "[ . 1 .]" 1
403 1 52 MET QB 1 57 HIS H 4.000 . 6.000 4.954 3.869 5.204 . 0 0 "[ . 1 .]" 1
404 1 52 MET ME 1 56 TRP HD1 4.000 . 5.300 2.814 2.370 4.269 . 0 0 "[ . 1 .]" 1
405 1 52 MET ME 1 56 TRP HE1 4.000 . 5.300 2.362 2.020 2.986 . 0 0 "[ . 1 .]" 1
406 1 52 MET ME 1 56 TRP HZ3 4.000 . 5.300 4.452 4.331 4.545 . 0 0 "[ . 1 .]" 1
407 1 52 MET ME 1 57 HIS H 4.000 . 5.300 2.432 1.763 4.128 0.037 7 0 "[ . 1 .]" 1
408 1 52 MET ME 1 57 HIS HE1 4.000 . 5.300 3.868 2.721 4.333 . 0 0 "[ . 1 .]" 1
409 1 52 MET QG 1 56 TRP HD1 4.000 . 6.000 5.281 3.640 5.607 . 0 0 "[ . 1 .]" 1
410 1 52 MET QG 1 56 TRP HE1 4.000 . 6.000 4.605 3.381 5.139 . 0 0 "[ . 1 .]" 1
411 1 52 MET QG 1 57 HIS H 4.000 . 6.000 4.600 3.232 5.264 . 0 0 "[ . 1 .]" 1
412 1 53 THR H 1 53 THR HA 3.000 . 3.600 2.964 2.918 2.983 . 0 0 "[ . 1 .]" 1
413 1 53 THR H 1 53 THR HB 3.000 . 3.600 3.332 3.285 3.589 . 0 0 "[ . 1 .]" 1
414 1 53 THR H 1 53 THR MG 4.000 . 5.300 3.171 1.820 3.330 . 0 0 "[ . 1 .]" 1
415 1 53 THR H 1 55 HIS H 4.000 . 5.000 4.949 4.737 5.029 0.029 11 0 "[ . 1 .]" 1
416 1 54 PRO HA 1 55 HIS H 3.000 . 3.600 3.499 3.490 3.525 . 0 0 "[ . 1 .]" 1
417 1 54 PRO QB 1 55 HIS H 4.000 . 6.000 1.891 1.840 1.996 . 0 0 "[ . 1 .]" 1
418 1 54 PRO QD 1 55 HIS H 4.000 . 6.000 3.335 2.800 3.444 . 0 0 "[ . 1 .]" 1
419 1 54 PRO QG 1 55 HIS H 4.000 . 6.000 1.891 1.830 1.975 . 0 0 "[ . 1 .]" 1
420 1 54 PRO QG 1 89 ASP H 4.000 . 6.000 5.240 4.930 5.395 . 0 0 "[ . 1 .]" 1
421 1 55 HIS H 1 55 HIS HA 3.000 . 3.600 2.979 2.955 3.001 . 0 0 "[ . 1 .]" 1
422 1 55 HIS H 1 55 HIS QB 3.000 . 4.600 2.792 2.625 2.971 . 0 0 "[ . 1 .]" 1
423 1 55 HIS H 1 55 HIS HE1 3.000 . 3.600 3.691 3.637 3.749 0.149 3 0 "[ . 1 .]" 1
424 1 55 HIS HA 1 56 TRP H 3.000 . 3.600 2.297 2.216 2.444 . 0 0 "[ . 1 .]" 1
425 1 55 HIS QB 1 56 TRP H 4.000 . 6.000 3.674 3.307 3.914 . 0 0 "[ . 1 .]" 1
426 1 55 HIS HE1 1 87 THR H 3.000 . 3.600 3.537 3.059 3.640 0.040 8 0 "[ . 1 .]" 1
427 1 55 HIS HE1 1 89 ASP H 3.000 . 3.600 3.589 3.452 3.670 0.070 7 0 "[ . 1 .]" 1
428 1 56 TRP H 1 56 TRP QB 3.000 . 4.600 2.199 2.150 2.258 . 0 0 "[ . 1 .]" 1
429 1 56 TRP H 1 57 HIS H 4.000 . 5.000 4.621 4.576 4.664 . 0 0 "[ . 1 .]" 1
430 1 56 TRP HA 1 56 TRP HD1 4.000 . 5.000 3.221 2.886 3.337 . 0 0 "[ . 1 .]" 1
431 1 56 TRP HA 1 56 TRP HE1 4.000 . 5.000 4.883 4.737 5.016 0.016 13 0 "[ . 1 .]" 1
432 1 56 TRP HA 1 57 HIS H 2.500 . 2.700 2.241 2.183 2.285 . 0 0 "[ . 1 .]" 1
433 1 56 TRP QB 1 57 HIS H 3.000 . 4.600 3.683 3.518 3.807 . 0 0 "[ . 1 .]" 1
434 1 56 TRP HE1 1 57 HIS HA 4.000 . 5.000 5.081 5.017 5.213 0.213 4 0 "[ . 1 .]" 1
435 1 57 HIS H 1 57 HIS HA 3.000 . 3.600 2.924 2.357 2.998 . 0 0 "[ . 1 .]" 1
436 1 57 HIS H 1 58 GLN H 4.000 . 5.000 4.401 4.205 4.563 . 0 0 "[ . 1 .]" 1
437 1 57 HIS QB 1 58 GLN H 4.000 . 6.000 2.552 1.773 3.265 0.027 7 0 "[ . 1 .]" 1
438 1 57 HIS HE1 1 60 THR MG 4.000 . 5.300 3.634 2.337 4.419 . 0 0 "[ . 1 .]" 1
439 1 58 GLN H 1 58 GLN HA 3.000 . 3.600 2.925 2.364 3.003 . 0 0 "[ . 1 .]" 1
440 1 58 GLN H 1 58 GLN QG 3.000 . 4.600 3.314 2.172 4.090 . 0 0 "[ . 1 .]" 1
441 1 58 GLN HA 1 58 GLN QE 4.000 . 6.000 4.094 2.123 5.084 . 0 0 "[ . 1 .]" 1
442 1 58 GLN HA 1 60 THR MG 4.000 . 5.300 3.882 3.010 4.264 . 0 0 "[ . 1 .]" 1
443 1 60 THR HA 1 61 THR H 3.000 . 3.600 2.509 2.375 2.641 . 0 0 "[ . 1 .]" 1
444 1 60 THR HA 1 61 THR MG 4.000 . 5.300 4.259 4.119 4.374 . 0 0 "[ . 1 .]" 1
445 1 60 THR HA 1 62 GLU H 4.000 . 5.000 3.925 3.749 4.047 . 0 0 "[ . 1 .]" 1
446 1 60 THR HA 1 69 LEU QD 4.000 . 7.400 4.078 2.600 5.299 . 0 0 "[ . 1 .]" 1
447 1 60 THR HB 1 61 THR H 3.000 . 3.600 3.569 3.462 3.682 0.082 13 0 "[ . 1 .]" 1
448 1 60 THR HB 1 62 GLU H 3.000 . 3.600 3.800 3.703 3.845 0.245 5 0 "[ . 1 .]" 1
449 1 60 THR MG 1 61 THR H 4.000 . 5.300 3.460 3.066 3.908 . 0 0 "[ . 1 .]" 1
450 1 60 THR MG 1 62 GLU H 4.000 . 5.300 2.260 1.766 2.904 0.034 15 0 "[ . 1 .]" 1
451 1 60 THR MG 1 63 TYR QD 4.000 . 7.300 2.981 1.980 4.037 . 0 0 "[ . 1 .]" 1
452 1 60 THR MG 1 64 TYR H 4.000 . 5.300 4.177 4.102 4.284 . 0 0 "[ . 1 .]" 1
453 1 61 THR H 1 61 THR HA 3.000 . 3.600 2.905 2.871 2.944 . 0 0 "[ . 1 .]" 1
454 1 61 THR H 1 61 THR HB 3.000 . 3.600 3.128 2.308 3.415 . 0 0 "[ . 1 .]" 1
455 1 61 THR H 1 61 THR MG 4.000 . 5.300 2.679 1.839 3.037 . 0 0 "[ . 1 .]" 1
456 1 61 THR H 1 62 GLU H 3.000 . 3.600 2.462 2.297 2.577 . 0 0 "[ . 1 .]" 1
457 1 61 THR H 1 62 GLU QB 4.000 . 6.000 4.076 3.939 4.190 . 0 0 "[ . 1 .]" 1
458 1 61 THR H 1 69 LEU QD 4.000 . 7.400 3.722 2.210 4.768 . 0 0 "[ . 1 .]" 1
459 1 61 THR HA 1 61 THR MG 3.000 . 3.900 2.353 1.919 3.192 . 0 0 "[ . 1 .]" 1
460 1 61 THR HA 1 62 GLU H 3.000 . 3.600 3.424 3.405 3.442 . 0 0 "[ . 1 .]" 1
461 1 61 THR HA 1 69 LEU QD 4.000 . 7.400 3.454 2.306 4.338 . 0 0 "[ . 1 .]" 1
462 1 61 THR MG 1 62 GLU H 4.000 . 5.300 3.788 2.266 4.330 . 0 0 "[ . 1 .]" 1
463 1 61 THR MG 1 64 TYR H 4.000 . 5.300 4.377 4.276 4.447 . 0 0 "[ . 1 .]" 1
464 1 61 THR MG 1 67 GLY H 4.000 . 5.300 4.041 3.493 4.421 . 0 0 "[ . 1 .]" 1
465 1 61 THR MG 1 69 LEU H 4.000 . 5.300 3.201 1.774 4.424 0.026 5 0 "[ . 1 .]" 1
466 1 61 THR MG 1 69 LEU QB 4.000 . 6.300 3.029 1.678 4.516 0.122 4 0 "[ . 1 .]" 1
467 1 61 THR MG 1 69 LEU QD 4.000 . 7.700 2.514 1.586 3.906 0.214 13 0 "[ . 1 .]" 1
468 1 62 GLU H 1 62 GLU HA 2.500 . 2.700 2.857 2.829 2.879 0.179 7 0 "[ . 1 .]" 1
469 1 62 GLU H 1 62 GLU QB 3.000 . 4.600 2.103 1.969 2.167 . 0 0 "[ . 1 .]" 1
470 1 62 GLU H 1 62 GLU QG 3.000 . 4.600 3.885 3.702 4.006 . 0 0 "[ . 1 .]" 1
471 1 62 GLU H 1 63 TYR H 3.000 . 3.600 2.459 2.363 2.549 . 0 0 "[ . 1 .]" 1
472 1 62 GLU H 1 63 TYR HA 4.000 . 5.000 5.169 5.106 5.244 0.244 15 0 "[ . 1 .]" 1
473 1 62 GLU H 1 63 TYR QB 4.000 . 6.000 4.118 4.005 4.221 . 0 0 "[ . 1 .]" 1
474 1 62 GLU H 1 64 TYR H 4.000 . 5.000 3.697 3.522 3.838 . 0 0 "[ . 1 .]" 1
475 1 62 GLU HA 1 63 TYR H 3.000 . 3.600 3.467 3.441 3.497 . 0 0 "[ . 1 .]" 1
476 1 62 GLU HA 1 64 TYR H 3.000 . 3.600 3.699 3.458 3.820 0.220 7 0 "[ . 1 .]" 1
477 1 62 GLU QB 1 63 TYR H 3.000 . 4.600 2.739 2.616 2.878 . 0 0 "[ . 1 .]" 1
478 1 62 GLU QB 1 64 TYR H 4.000 . 6.000 4.374 4.302 4.419 . 0 0 "[ . 1 .]" 1
479 1 62 GLU QG 1 63 TYR QD 4.000 . 8.000 4.398 3.266 5.230 . 0 0 "[ . 1 .]" 1
480 1 62 GLU QG 1 63 TYR QE 4.000 . 8.000 5.415 4.140 6.034 . 0 0 "[ . 1 .]" 1
481 1 63 TYR H 1 63 TYR HA 3.000 . 3.600 2.939 2.865 2.971 . 0 0 "[ . 1 .]" 1
482 1 63 TYR H 1 63 TYR QB 3.000 . 4.600 2.056 1.939 2.145 . 0 0 "[ . 1 .]" 1
483 1 63 TYR H 1 63 TYR QD 3.000 . 5.600 3.381 2.368 4.061 . 0 0 "[ . 1 .]" 1
484 1 63 TYR H 1 64 TYR H 3.000 . 3.600 2.339 2.203 2.534 . 0 0 "[ . 1 .]" 1
485 1 63 TYR H 1 64 TYR QB 4.000 . 6.000 3.971 3.630 4.382 . 0 0 "[ . 1 .]" 1
486 1 63 TYR H 1 64 TYR QD 3.000 . 5.600 3.810 2.949 4.847 . 0 0 "[ . 1 .]" 1
487 1 63 TYR HA 1 63 TYR QD 3.000 . 5.600 2.496 1.913 2.950 . 0 0 "[ . 1 .]" 1
488 1 63 TYR HA 1 63 TYR QE 4.000 . 7.000 4.212 3.980 4.432 . 0 0 "[ . 1 .]" 1
489 1 63 TYR HA 1 64 TYR H 3.000 . 3.600 3.341 3.238 3.412 . 0 0 "[ . 1 .]" 1
490 1 63 TYR QB 1 63 TYR QE 4.000 . 8.000 3.976 3.960 4.001 . 0 0 "[ . 1 .]" 1
491 1 63 TYR QB 1 64 TYR H 3.000 . 4.600 3.290 3.134 3.432 . 0 0 "[ . 1 .]" 1
492 1 63 TYR QB 1 64 TYR QD 4.000 . 8.000 2.629 1.924 3.476 . 0 0 "[ . 1 .]" 1
493 1 63 TYR QB 1 64 TYR QE 4.000 . 8.000 3.312 2.530 4.451 . 0 0 "[ . 1 .]" 1
494 1 64 TYR H 1 64 TYR HA 3.000 . 3.600 2.993 2.969 3.007 . 0 0 "[ . 1 .]" 1
495 1 64 TYR H 1 64 TYR QB 3.000 . 4.600 2.450 2.193 2.616 . 0 0 "[ . 1 .]" 1
496 1 64 TYR H 1 64 TYR QD 3.000 . 5.600 3.268 2.125 4.148 . 0 0 "[ . 1 .]" 1
497 1 64 TYR H 1 65 PRO HA 4.000 . 5.000 4.666 4.208 5.137 0.137 13 0 "[ . 1 .]" 1
498 1 64 TYR H 1 65 PRO QD 4.000 . 6.000 3.713 2.557 4.376 . 0 0 "[ . 1 .]" 1
499 1 64 TYR H 1 69 LEU QD 4.000 . 7.400 5.158 4.582 5.573 . 0 0 "[ . 1 .]" 1
500 1 64 TYR HA 1 64 TYR QD 4.000 . 7.000 2.755 2.051 3.105 . 0 0 "[ . 1 .]" 1
501 1 64 TYR HA 1 66 ASN H 3.000 . 3.600 3.388 3.011 3.702 0.102 13 0 "[ . 1 .]" 1
502 1 64 TYR HA 1 67 GLY H 4.000 . 5.000 4.737 3.982 5.072 0.072 15 0 "[ . 1 .]" 1
503 1 64 TYR QB 1 67 GLY H 4.000 . 6.000 3.003 1.933 3.651 . 0 0 "[ . 1 .]" 1
504 1 64 TYR QB 1 69 LEU QD 4.000 . 8.400 3.595 2.371 5.113 . 0 0 "[ . 1 .]" 1
505 1 64 TYR QD 1 67 GLY H 4.000 . 7.000 4.592 2.970 5.370 . 0 0 "[ . 1 .]" 1
506 1 64 TYR QD 1 69 LEU QD 4.000 . 9.400 4.306 2.066 5.970 . 0 0 "[ . 1 .]" 1
507 1 65 PRO HA 1 66 ASN H 4.000 . 5.000 3.414 3.323 3.521 . 0 0 "[ . 1 .]" 1
508 1 65 PRO HA 1 67 GLY H 4.000 . 5.000 4.148 3.387 5.022 0.022 14 0 "[ . 1 .]" 1
509 1 65 PRO QB 1 66 ASN H 4.000 . 6.000 3.550 3.274 3.724 . 0 0 "[ . 1 .]" 1
510 1 65 PRO QD 1 66 ASN H 4.000 . 6.000 2.639 2.384 2.793 . 0 0 "[ . 1 .]" 1
511 1 65 PRO QG 1 66 ASN H 4.000 . 6.000 2.984 2.512 3.340 . 0 0 "[ . 1 .]" 1
512 1 66 ASN H 1 66 ASN HA 3.000 . 3.600 2.962 2.820 3.002 . 0 0 "[ . 1 .]" 1
513 1 66 ASN H 1 66 ASN QB 3.000 . 4.600 2.434 2.062 2.959 . 0 0 "[ . 1 .]" 1
514 1 66 ASN H 1 67 GLY H 3.000 . 3.600 2.608 1.909 3.039 . 0 0 "[ . 1 .]" 1
515 1 66 ASN HA 1 66 ASN QD 4.000 . 6.000 3.301 1.872 4.211 . 0 0 "[ . 1 .]" 1
516 1 66 ASN HA 1 67 GLY H 3.000 . 3.600 3.055 2.585 3.561 . 0 0 "[ . 1 .]" 1
517 1 66 ASN HA 1 68 GLY H 4.000 . 5.000 4.145 3.294 5.039 0.039 13 0 "[ . 1 .]" 1
518 1 66 ASN QB 1 67 GLY H 4.000 . 6.000 3.575 2.455 3.990 . 0 0 "[ . 1 .]" 1
519 1 67 GLY H 1 68 GLY H 3.000 . 3.600 2.667 1.868 3.744 0.144 15 0 "[ . 1 .]" 1
520 1 67 GLY H 1 68 GLY QA 4.000 . 6.000 4.298 3.912 4.755 . 0 0 "[ . 1 .]" 1
521 1 67 GLY H 1 69 LEU H 4.000 . 5.000 4.189 3.194 5.015 0.015 13 0 "[ . 1 .]" 1
522 1 67 GLY H 1 69 LEU QD 4.000 . 7.400 4.391 3.158 5.106 . 0 0 "[ . 1 .]" 1
523 1 67 GLY H 1 69 LEU HG 4.000 . 5.000 4.881 4.315 5.078 0.078 15 0 "[ . 1 .]" 1
524 1 67 GLY QA 1 68 GLY H 3.000 . 4.600 2.671 2.322 2.930 . 0 0 "[ . 1 .]" 1
525 1 67 GLY QA 1 69 LEU H 4.000 . 6.000 3.144 2.870 3.455 . 0 0 "[ . 1 .]" 1
526 1 67 GLY QA 1 69 LEU QB 3.000 . 5.600 4.160 3.818 4.543 . 0 0 "[ . 1 .]" 1
527 1 67 GLY QA 1 69 LEU QD 4.000 . 8.400 2.808 1.760 4.436 0.040 10 0 "[ . 1 .]" 1
528 1 68 GLY H 1 68 GLY QA 2.500 . 3.700 2.285 2.239 2.303 . 0 0 "[ . 1 .]" 1
529 1 68 GLY H 1 69 LEU H 3.000 . 3.600 2.473 2.247 3.383 . 0 0 "[ . 1 .]" 1
530 1 68 GLY H 1 69 LEU HA 4.000 . 5.000 5.014 4.807 5.135 0.135 15 0 "[ . 1 .]" 1
531 1 68 GLY H 1 69 LEU QB 4.000 . 6.000 4.550 3.987 5.433 . 0 0 "[ . 1 .]" 1
532 1 68 GLY H 1 69 LEU QD 4.000 . 7.400 3.857 2.469 4.746 . 0 0 "[ . 1 .]" 1
533 1 68 GLY H 1 69 LEU HG 4.000 . 5.000 3.953 3.329 4.532 . 0 0 "[ . 1 .]" 1
534 1 68 GLY H 1 70 THR H 4.000 . 5.000 4.806 3.582 5.169 0.169 3 0 "[ . 1 .]" 1
535 1 68 GLY QA 1 69 LEU H 3.000 . 4.600 2.862 2.573 2.930 . 0 0 "[ . 1 .]" 1
536 1 68 GLY QA 1 69 LEU QD 4.000 . 8.400 3.899 3.327 4.491 . 0 0 "[ . 1 .]" 1
537 1 68 GLY QA 1 70 THR H 4.000 . 6.000 3.573 3.103 4.176 . 0 0 "[ . 1 .]" 1
538 1 68 GLY QA 1 75 ARG HE 3.000 . 4.600 2.837 1.922 4.116 . 0 0 "[ . 1 .]" 1
539 1 69 LEU H 1 69 LEU HA 3.000 . 3.600 2.906 2.381 3.001 . 0 0 "[ . 1 .]" 1
540 1 69 LEU H 1 69 LEU QB 3.000 . 4.600 2.571 2.053 3.060 . 0 0 "[ . 1 .]" 1
541 1 69 LEU H 1 69 LEU QD 4.000 . 7.400 2.572 1.831 3.314 . 0 0 "[ . 1 .]" 1
542 1 69 LEU H 1 69 LEU HG 3.000 . 3.600 2.169 1.835 2.713 . 0 0 "[ . 1 .]" 1
543 1 69 LEU H 1 70 THR H 3.000 . 3.600 3.285 2.292 3.630 0.030 7 0 "[ . 1 .]" 1
544 1 69 LEU H 1 75 ARG QB 4.000 . 6.000 4.741 4.223 5.411 . 0 0 "[ . 1 .]" 1
545 1 69 LEU HA 1 69 LEU QD 4.000 . 7.400 2.460 1.756 3.425 0.044 7 0 "[ . 1 .]" 1
546 1 69 LEU HA 1 69 LEU HG 4.000 . 5.000 3.257 2.509 3.652 . 0 0 "[ . 1 .]" 1
547 1 69 LEU HA 1 75 ARG QB 4.000 . 6.000 3.764 3.116 4.093 . 0 0 "[ . 1 .]" 1
548 1 69 LEU HA 1 75 ARG HE 4.000 . 5.000 3.185 1.846 4.022 . 0 0 "[ . 1 .]" 1
549 1 69 LEU QB 1 70 THR H 4.000 . 6.000 3.928 3.875 3.997 . 0 0 "[ . 1 .]" 1
550 1 69 LEU QD 1 70 THR H 4.000 . 7.400 3.845 2.529 4.402 . 0 0 "[ . 1 .]" 1
551 1 69 LEU QD 1 74 CYS H 4.000 . 7.400 5.244 4.852 5.592 . 0 0 "[ . 1 .]" 1
552 1 69 LEU QD 1 75 ARG H 4.000 . 7.400 3.537 3.127 3.876 . 0 0 "[ . 1 .]" 1
553 1 69 LEU QD 1 75 ARG QB 4.000 . 8.400 1.746 1.586 2.054 0.214 3 0 "[ . 1 .]" 1
554 1 69 LEU QD 1 75 ARG HE 4.000 . 7.400 3.181 1.842 4.219 . 0 0 "[ . 1 .]" 1
555 1 69 LEU QD 1 75 ARG QG 4.000 . 8.400 2.137 1.708 3.246 0.092 10 0 "[ . 1 .]" 1
556 1 69 LEU QD 1 76 ASN H 4.000 . 7.400 4.211 3.236 4.874 . 0 0 "[ . 1 .]" 1
557 1 69 LEU HG 1 70 THR H 4.000 . 5.000 4.585 3.238 5.132 0.132 13 0 "[ . 1 .]" 1
558 1 70 THR H 1 70 THR HA 3.000 . 3.600 2.863 2.781 2.974 . 0 0 "[ . 1 .]" 1
559 1 70 THR H 1 70 THR HB 3.000 . 3.600 2.551 2.176 3.541 . 0 0 "[ . 1 .]" 1
560 1 70 THR H 1 70 THR MG 4.000 . 5.300 3.107 1.848 3.730 . 0 0 "[ . 1 .]" 1
561 1 70 THR H 1 71 ARG H 4.000 . 5.000 4.615 4.473 4.716 . 0 0 "[ . 1 .]" 1
562 1 70 THR H 1 73 TYR QB 4.000 . 6.000 3.003 2.475 3.793 . 0 0 "[ . 1 .]" 1
563 1 70 THR H 1 73 TYR QD 4.000 . 7.000 2.769 2.002 3.483 . 0 0 "[ . 1 .]" 1
564 1 70 THR H 1 75 ARG HE 4.000 . 5.000 4.455 3.038 5.034 0.034 2 0 "[ . 1 .]" 1
565 1 70 THR H 1 75 ARG QG 4.000 . 6.000 5.063 4.400 5.286 . 0 0 "[ . 1 .]" 1
566 1 70 THR HA 1 70 THR MG 3.000 . 3.900 2.573 2.156 3.199 . 0 0 "[ . 1 .]" 1
567 1 70 THR HA 1 71 ARG H 2.500 . 2.700 2.292 2.213 2.409 . 0 0 "[ . 1 .]" 1
568 1 70 THR HB 1 71 ARG H 4.000 . 5.000 4.038 2.700 4.455 . 0 0 "[ . 1 .]" 1
569 1 70 THR MG 1 71 ARG QD 4.000 . 6.300 3.870 2.176 4.326 . 0 0 "[ . 1 .]" 1
570 1 70 THR MG 1 73 TYR QB 4.000 . 6.300 4.206 3.519 4.591 . 0 0 "[ . 1 .]" 1
571 1 70 THR MG 1 73 TYR QD 4.000 . 7.300 3.546 2.288 4.666 . 0 0 "[ . 1 .]" 1
572 1 71 ARG H 1 71 ARG HA 2.500 . 2.700 2.371 2.364 2.378 . 0 0 "[ . 1 .]" 1
573 1 71 ARG H 1 71 ARG QB 3.000 . 4.600 2.952 2.726 3.292 . 0 0 "[ . 1 .]" 1
574 1 71 ARG H 1 71 ARG QD 4.000 . 6.000 4.773 3.232 5.246 . 0 0 "[ . 1 .]" 1
575 1 71 ARG H 1 71 ARG QG 3.000 . 4.600 3.461 2.316 4.043 . 0 0 "[ . 1 .]" 1
576 1 71 ARG H 1 72 ASN H 4.000 . 5.000 4.651 4.575 4.702 . 0 0 "[ . 1 .]" 1
577 1 71 ARG HA 1 71 ARG QD 3.000 . 4.600 3.917 3.655 4.253 . 0 0 "[ . 1 .]" 1
578 1 71 ARG HA 1 72 ASN H 3.000 . 3.600 3.099 2.844 3.292 . 0 0 "[ . 1 .]" 1
579 1 71 ARG HA 1 73 TYR H 4.000 . 5.000 4.477 4.208 4.996 . 0 0 "[ . 1 .]" 1
580 1 71 ARG QB 1 71 ARG QD 3.000 . 5.600 2.072 1.969 2.153 . 0 0 "[ . 1 .]" 1
581 1 71 ARG QB 1 72 ASN H 2.500 . 3.700 1.905 1.775 2.093 0.025 9 0 "[ . 1 .]" 1
582 1 71 ARG QB 1 73 TYR H 3.000 . 4.600 3.160 2.631 4.073 . 0 0 "[ . 1 .]" 1
583 1 71 ARG QD 1 72 ASN H 3.000 . 4.600 2.879 2.035 4.065 . 0 0 "[ . 1 .]" 1
584 1 71 ARG QD 1 73 TYR H 4.000 . 6.000 4.722 3.858 5.378 . 0 0 "[ . 1 .]" 1
585 1 71 ARG QG 1 72 ASN H 3.000 . 4.600 2.554 1.854 3.903 . 0 0 "[ . 1 .]" 1
586 1 71 ARG QG 1 73 TYR H 4.000 . 6.000 4.580 2.436 5.302 . 0 0 "[ . 1 .]" 1
587 1 72 ASN H 1 72 ASN HA 3.000 . 3.600 2.955 2.935 2.988 . 0 0 "[ . 1 .]" 1
588 1 72 ASN H 1 72 ASN QD 3.000 . 4.600 3.669 2.655 4.246 . 0 0 "[ . 1 .]" 1
589 1 72 ASN H 1 73 TYR H 3.000 . 3.600 3.004 2.427 3.679 0.079 10 0 "[ . 1 .]" 1
590 1 72 ASN HA 1 72 ASN QD 4.000 . 6.000 3.230 2.041 3.719 . 0 0 "[ . 1 .]" 1
591 1 72 ASN HA 1 73 TYR H 3.000 . 3.600 2.968 2.458 3.266 . 0 0 "[ . 1 .]" 1
592 1 72 ASN QB 1 73 TYR H 4.000 . 6.000 3.990 3.726 4.079 . 0 0 "[ . 1 .]" 1
593 1 72 ASN QD 1 73 TYR H 3.000 . 4.600 3.518 2.926 3.820 . 0 0 "[ . 1 .]" 1
594 1 72 ASN QD 1 74 CYS H 3.000 . 4.600 4.191 4.011 4.282 . 0 0 "[ . 1 .]" 1
595 1 73 TYR H 1 73 TYR HA 3.000 . 3.600 2.862 2.713 3.011 . 0 0 "[ . 1 .]" 1
596 1 73 TYR H 1 73 TYR QB 3.000 . 4.600 2.252 2.064 2.441 . 0 0 "[ . 1 .]" 1
597 1 73 TYR H 1 73 TYR QD 3.000 . 5.600 2.683 1.939 4.055 . 0 0 "[ . 1 .]" 1
598 1 73 TYR H 1 73 TYR QE 4.000 . 7.000 4.612 4.122 6.073 . 0 0 "[ . 1 .]" 1
599 1 73 TYR H 1 74 CYS H 4.000 . 5.000 4.588 4.407 4.684 . 0 0 "[ . 1 .]" 1
600 1 73 TYR HA 1 74 CYS H 3.000 . 3.600 2.231 2.163 2.333 . 0 0 "[ . 1 .]" 1
601 1 73 TYR QB 1 74 CYS H 3.000 . 4.600 3.135 2.783 3.651 . 0 0 "[ . 1 .]" 1
602 1 74 CYS H 1 74 CYS HA 3.000 . 3.600 2.936 2.881 2.988 . 0 0 "[ . 1 .]" 1
603 1 74 CYS H 1 74 CYS QB 3.000 . 4.600 2.128 1.913 2.262 . 0 0 "[ . 1 .]" 1
604 1 74 CYS HA 1 75 ARG H 3.000 . 3.600 2.239 2.192 2.305 . 0 0 "[ . 1 .]" 1
605 1 74 CYS HA 1 84 TRP H 4.000 . 5.000 4.958 4.492 5.113 0.113 12 0 "[ . 1 .]" 1
606 1 74 CYS QB 1 75 ARG H 4.000 . 6.000 3.650 3.035 3.881 . 0 0 "[ . 1 .]" 1
607 1 74 CYS QB 1 99 LEU QD 4.000 . 8.400 3.609 3.061 4.079 . 0 0 "[ . 1 .]" 1
608 1 75 ARG H 1 75 ARG QG 4.000 . 6.000 3.982 3.419 4.383 . 0 0 "[ . 1 .]" 1
609 1 75 ARG H 1 84 TRP H 4.000 . 5.000 3.508 3.121 4.312 . 0 0 "[ . 1 .]" 1
610 1 75 ARG H 1 85 CYS QB 4.000 . 6.000 3.426 2.885 4.340 . 0 0 "[ . 1 .]" 1
611 1 76 ASN H 1 76 ASN HA 3.000 . 3.600 2.994 2.949 3.002 . 0 0 "[ . 1 .]" 1
612 1 76 ASN H 1 76 ASN QB 3.000 . 4.600 2.458 2.274 2.740 . 0 0 "[ . 1 .]" 1
613 1 76 ASN H 1 77 PRO QD 4.000 . 6.000 3.150 2.345 3.681 . 0 0 "[ . 1 .]" 1
614 1 76 ASN H 1 78 ASP H 4.000 . 5.000 5.012 4.946 5.062 0.062 13 0 "[ . 1 .]" 1
615 1 76 ASN HA 1 78 ASP H 4.000 . 5.000 3.233 2.994 3.934 . 0 0 "[ . 1 .]" 1
616 1 76 ASN QB 1 78 ASP H 4.000 . 6.000 3.943 3.594 4.234 . 0 0 "[ . 1 .]" 1
617 1 76 ASN QB 1 84 TRP H 3.000 . 4.600 3.899 3.685 3.972 . 0 0 "[ . 1 .]" 1
618 1 76 ASN QD 1 78 ASP H 4.000 . 6.000 4.048 2.845 4.597 . 0 0 "[ . 1 .]" 1
619 1 76 ASN QD 1 79 ALA H 3.000 . 4.600 3.219 2.183 3.717 . 0 0 "[ . 1 .]" 1
620 1 76 ASN QD 1 79 ALA HA 4.000 . 6.000 2.651 1.856 3.308 . 0 0 "[ . 1 .]" 1
621 1 76 ASN QD 1 80 GLU H 3.000 . 4.600 2.211 1.847 3.308 . 0 0 "[ . 1 .]" 1
622 1 77 PRO QD 1 78 ASP H 4.000 . 6.000 2.996 2.624 3.976 . 0 0 "[ . 1 .]" 1
623 1 78 ASP H 1 78 ASP HA 3.000 . 3.600 2.988 2.934 3.002 . 0 0 "[ . 1 .]" 1
624 1 78 ASP H 1 79 ALA H 3.000 . 3.600 2.277 1.970 3.257 . 0 0 "[ . 1 .]" 1
625 1 78 ASP H 1 79 ALA MB 4.000 . 5.300 4.350 4.172 4.485 . 0 0 "[ . 1 .]" 1
626 1 78 ASP H 1 80 GLU H 4.000 . 5.000 3.716 2.985 4.560 . 0 0 "[ . 1 .]" 1
627 1 78 ASP H 1 84 TRP HE1 4.000 . 5.000 3.173 2.367 3.952 . 0 0 "[ . 1 .]" 1
628 1 78 ASP H 1 84 TRP HZ2 4.000 . 5.000 4.589 4.102 5.028 0.028 6 0 "[ . 1 .]" 1
629 1 78 ASP HA 1 79 ALA H 3.000 . 3.600 3.377 3.166 3.499 . 0 0 "[ . 1 .]" 1
630 1 79 ALA H 1 79 ALA HA 2.500 . 2.700 2.449 2.362 2.783 0.083 5 0 "[ . 1 .]" 1
631 1 79 ALA H 1 80 GLU H 3.000 . 3.600 2.566 1.987 2.784 . 0 0 "[ . 1 .]" 1
632 1 79 ALA HA 1 80 GLU H 3.000 . 3.600 2.976 2.779 3.300 . 0 0 "[ . 1 .]" 1
633 1 79 ALA MB 1 80 GLU H 4.000 . 5.300 3.598 3.312 3.714 . 0 0 "[ . 1 .]" 1
634 1 80 GLU H 1 80 GLU HA 3.000 . 3.600 2.933 2.840 2.974 . 0 0 "[ . 1 .]" 1
635 1 80 GLU H 1 80 GLU QB 3.000 . 4.600 2.257 1.936 2.671 . 0 0 "[ . 1 .]" 1
636 1 80 GLU H 1 80 GLU QG 3.000 . 4.600 3.082 1.837 3.976 . 0 0 "[ . 1 .]" 1
637 1 80 GLU H 1 84 TRP HD1 4.000 . 5.000 4.647 4.037 5.006 0.006 6 0 "[ . 1 .]" 1
638 1 80 GLU H 1 84 TRP HE1 4.000 . 5.000 4.505 3.871 4.917 . 0 0 "[ . 1 .]" 1
639 1 80 GLU HA 1 81 ILE H 3.000 . 3.600 2.695 2.446 2.918 . 0 0 "[ . 1 .]" 1
640 1 80 GLU HA 1 81 ILE MG 4.000 . 5.300 4.082 3.803 4.266 . 0 0 "[ . 1 .]" 1
641 1 80 GLU HA 1 82 SER H 4.000 . 5.000 4.460 4.263 5.025 0.025 12 0 "[ . 1 .]" 1
642 1 80 GLU QB 1 81 ILE H 4.000 . 6.000 2.417 2.007 3.016 . 0 0 "[ . 1 .]" 1
643 1 80 GLU QB 1 82 SER H 3.000 . 4.600 2.577 2.355 3.452 . 0 0 "[ . 1 .]" 1
644 1 80 GLU QB 1 84 TRP HD1 4.000 . 6.000 3.604 2.603 4.667 . 0 0 "[ . 1 .]" 1
645 1 80 GLU QB 1 84 TRP HE1 4.000 . 6.000 4.201 3.283 5.211 . 0 0 "[ . 1 .]" 1
646 1 80 GLU QG 1 81 ILE H 3.000 . 4.600 3.027 1.988 4.200 . 0 0 "[ . 1 .]" 1
647 1 80 GLU QG 1 82 SER H 3.000 . 4.600 3.900 1.986 4.242 . 0 0 "[ . 1 .]" 1
648 1 80 GLU QG 1 84 TRP HD1 4.000 . 6.000 4.203 3.074 5.276 . 0 0 "[ . 1 .]" 1
649 1 81 ILE H 1 81 ILE HA 3.000 . 3.600 2.787 2.760 2.852 . 0 0 "[ . 1 .]" 1
650 1 81 ILE H 1 81 ILE HB 3.000 . 3.600 3.227 2.221 3.563 . 0 0 "[ . 1 .]" 1
651 1 81 ILE H 1 81 ILE MD 4.000 . 5.300 3.773 3.566 4.213 . 0 0 "[ . 1 .]" 1
652 1 81 ILE H 1 81 ILE QG 3.000 . 4.600 2.474 1.838 3.958 . 0 0 "[ . 1 .]" 1
653 1 81 ILE H 1 81 ILE MG 4.000 . 5.300 2.097 1.849 2.296 . 0 0 "[ . 1 .]" 1
654 1 81 ILE H 1 82 SER H 3.000 . 3.600 2.859 2.632 3.214 . 0 0 "[ . 1 .]" 1
655 1 81 ILE H 1 96 TYR QE 3.000 . 5.600 4.280 3.687 4.959 . 0 0 "[ . 1 .]" 1
656 1 81 ILE HA 1 81 ILE MD 4.000 . 5.300 3.643 3.052 4.005 . 0 0 "[ . 1 .]" 1
657 1 81 ILE HA 1 81 ILE MG 3.000 . 3.900 2.523 2.179 3.202 . 0 0 "[ . 1 .]" 1
658 1 81 ILE HA 1 82 SER H 4.000 . 5.000 3.538 3.506 3.570 . 0 0 "[ . 1 .]" 1
659 1 81 ILE HB 1 81 ILE MD 3.000 . 3.900 2.239 1.890 3.188 . 0 0 "[ . 1 .]" 1
660 1 81 ILE HB 1 82 SER H 3.000 . 3.600 3.646 3.561 3.715 0.115 8 0 "[ . 1 .]" 1
661 1 81 ILE MD 1 81 ILE MG 3.000 . 4.200 2.593 1.476 3.062 0.324 12 0 "[ . 1 .]" 1
662 1 81 ILE MD 1 82 SER H 4.000 . 5.300 2.558 2.015 3.150 . 0 0 "[ . 1 .]" 1
663 1 81 ILE MD 1 96 TYR QE 4.000 . 7.300 3.365 2.425 5.056 . 0 0 "[ . 1 .]" 1
664 1 81 ILE MD 1 99 LEU QD 4.000 . 7.700 4.488 4.099 4.838 . 0 0 "[ . 1 .]" 1
665 1 81 ILE QG 1 82 SER H 4.000 . 6.000 2.360 1.838 4.247 . 0 0 "[ . 1 .]" 1
666 1 81 ILE MG 1 82 SER H 4.000 . 5.300 3.356 1.760 4.042 0.040 12 0 "[ . 1 .]" 1
667 1 81 ILE MG 1 96 TYR QE 4.000 . 7.300 4.208 2.206 5.167 . 0 0 "[ . 1 .]" 1
668 1 82 SER H 1 82 SER HA 3.000 . 3.600 2.923 2.821 2.982 . 0 0 "[ . 1 .]" 1
669 1 82 SER H 1 96 TYR QD 4.000 . 7.000 4.130 3.367 5.469 . 0 0 "[ . 1 .]" 1
670 1 82 SER H 1 96 TYR QE 2.500 . 4.700 3.067 2.206 4.466 . 0 0 "[ . 1 .]" 1
671 1 83 PRO HA 1 84 TRP H 2.500 . 2.700 2.361 2.215 2.608 . 0 0 "[ . 1 .]" 1
672 1 83 PRO QB 1 84 TRP H 3.000 . 4.600 2.844 2.148 3.893 . 0 0 "[ . 1 .]" 1
673 1 83 PRO QB 1 97 CYS H 4.000 . 6.000 4.551 1.803 5.112 . 0 0 "[ . 1 .]" 1
674 1 83 PRO QB 1 99 LEU QD 4.000 . 8.400 3.226 1.774 3.632 0.026 12 0 "[ . 1 .]" 1
675 1 84 TRP H 1 84 TRP HA 3.000 . 3.600 2.978 2.932 3.004 . 0 0 "[ . 1 .]" 1
676 1 84 TRP H 1 84 TRP HD1 3.000 . 3.600 2.782 2.249 3.521 . 0 0 "[ . 1 .]" 1
677 1 84 TRP H 1 85 CYS H 4.000 . 5.000 4.394 4.142 4.478 . 0 0 "[ . 1 .]" 1
678 1 84 TRP H 1 96 TYR HA 4.000 . 5.000 4.562 3.976 4.801 . 0 0 "[ . 1 .]" 1
679 1 84 TRP H 1 96 TYR QD 4.000 . 7.000 4.557 4.098 5.276 . 0 0 "[ . 1 .]" 1
680 1 84 TRP H 1 97 CYS H 4.000 . 5.000 4.883 3.614 5.059 0.059 3 0 "[ . 1 .]" 1
681 1 84 TRP HA 1 85 CYS H 3.000 . 3.600 2.635 2.202 2.855 . 0 0 "[ . 1 .]" 1
682 1 84 TRP HA 1 97 CYS H 3.000 . 3.600 2.916 2.307 3.621 0.021 12 0 "[ . 1 .]" 1
683 1 84 TRP QB 1 85 CYS H 3.000 . 4.600 2.307 1.925 3.501 . 0 0 "[ . 1 .]" 1
684 1 84 TRP QB 1 95 GLU H 4.000 . 6.000 3.845 3.538 5.153 . 0 0 "[ . 1 .]" 1
685 1 84 TRP QB 1 96 TYR H 4.000 . 6.000 4.089 3.547 5.349 . 0 0 "[ . 1 .]" 1
686 1 84 TRP QB 1 96 TYR QD 4.000 . 8.000 2.507 1.970 3.008 . 0 0 "[ . 1 .]" 1
687 1 84 TRP QB 1 97 CYS H 4.000 . 6.000 3.906 3.443 4.784 . 0 0 "[ . 1 .]" 1
688 1 84 TRP HE3 1 85 CYS H 3.000 . 3.600 2.835 2.130 3.560 . 0 0 "[ . 1 .]" 1
689 1 84 TRP HE3 1 95 GLU H 4.000 . 5.000 4.058 3.294 4.942 . 0 0 "[ . 1 .]" 1
690 1 85 CYS H 1 85 CYS HA 3.000 . 3.600 2.892 2.831 2.940 . 0 0 "[ . 1 .]" 1
691 1 85 CYS H 1 86 TYR H 4.000 . 5.000 4.311 4.191 4.411 . 0 0 "[ . 1 .]" 1
692 1 85 CYS H 1 86 TYR HA 4.000 . 5.000 4.805 4.701 4.919 . 0 0 "[ . 1 .]" 1
693 1 85 CYS H 1 94 TRP QB 4.000 . 6.000 3.881 3.671 4.114 . 0 0 "[ . 1 .]" 1
694 1 85 CYS H 1 94 TRP HE3 3.000 . 3.600 3.271 2.521 3.596 . 0 0 "[ . 1 .]" 1
695 1 85 CYS H 1 95 GLU H 2.500 . 2.700 2.751 2.667 2.809 0.109 4 0 "[ . 1 .]" 1
696 1 85 CYS H 1 95 GLU HA 4.000 . 5.000 4.721 4.599 4.817 . 0 0 "[ . 1 .]" 1
697 1 85 CYS H 1 96 TYR HA 3.000 . 3.600 3.543 3.297 3.666 0.066 15 0 "[ . 1 .]" 1
698 1 85 CYS HA 1 86 TYR H 3.000 . 3.600 2.359 2.244 2.766 . 0 0 "[ . 1 .]" 1
699 1 85 CYS HA 1 95 GLU H 4.000 . 5.000 4.642 4.424 4.796 . 0 0 "[ . 1 .]" 1
700 1 85 CYS QB 1 86 TYR H 3.000 . 4.600 3.127 1.970 3.599 . 0 0 "[ . 1 .]" 1
701 1 86 TYR H 1 86 TYR QB 3.000 . 4.600 2.479 2.150 2.630 . 0 0 "[ . 1 .]" 1
702 1 86 TYR H 1 86 TYR QD 3.000 . 5.600 2.719 1.886 3.047 . 0 0 "[ . 1 .]" 1
703 1 86 TYR H 1 94 TRP QB 4.000 . 6.000 4.162 3.790 4.495 . 0 0 "[ . 1 .]" 1
704 1 86 TYR HA 1 86 TYR QD 4.000 . 7.000 2.214 1.886 2.873 . 0 0 "[ . 1 .]" 1
705 1 86 TYR HA 1 87 THR H 3.000 . 3.600 2.533 2.368 2.726 . 0 0 "[ . 1 .]" 1
706 1 86 TYR HA 1 94 TRP H 4.000 . 5.000 4.600 4.385 4.952 . 0 0 "[ . 1 .]" 1
707 1 86 TYR HA 1 94 TRP HA 3.000 . 3.600 1.963 1.803 2.311 . 0 0 "[ . 1 .]" 1
708 1 86 TYR HA 1 94 TRP QB 4.000 . 6.000 2.611 2.106 2.993 . 0 0 "[ . 1 .]" 1
709 1 86 TYR HA 1 95 GLU H 4.000 . 5.000 3.582 3.253 3.978 . 0 0 "[ . 1 .]" 1
710 1 86 TYR QB 1 87 THR H 3.000 . 4.600 2.484 2.091 2.837 . 0 0 "[ . 1 .]" 1
711 1 86 TYR QD 1 87 THR H 4.000 . 7.000 4.034 3.163 4.353 . 0 0 "[ . 1 .]" 1
712 1 86 TYR QD 1 93 ARG QD 4.000 . 8.000 5.100 3.576 6.115 . 0 0 "[ . 1 .]" 1
713 1 86 TYR QD 1 94 TRP HD1 4.000 . 7.000 4.926 4.548 5.736 . 0 0 "[ . 1 .]" 1
714 1 87 THR H 1 87 THR HA 3.000 . 3.600 2.998 2.970 3.008 . 0 0 "[ . 1 .]" 1
715 1 87 THR H 1 87 THR HB 4.000 . 5.000 3.453 3.361 3.688 . 0 0 "[ . 1 .]" 1
716 1 87 THR H 1 87 THR HG1 4.000 . 5.000 2.723 2.415 3.900 . 0 0 "[ . 1 .]" 1
717 1 87 THR H 1 87 THR MG 4.000 . 5.300 3.164 2.122 3.505 . 0 0 "[ . 1 .]" 1
718 1 87 THR H 1 92 VAL QG 4.000 . 7.400 3.799 3.509 4.271 . 0 0 "[ . 1 .]" 1
719 1 87 THR H 1 94 TRP HA 3.000 . 3.600 3.004 2.842 3.345 . 0 0 "[ . 1 .]" 1
720 1 87 THR H 1 94 TRP QB 4.000 . 6.000 4.311 4.088 4.745 . 0 0 "[ . 1 .]" 1
721 1 87 THR H 1 95 GLU H 4.000 . 5.000 5.010 4.739 5.069 0.069 4 0 "[ . 1 .]" 1
722 1 87 THR HA 1 89 ASP H 4.000 . 5.000 3.687 3.610 3.837 . 0 0 "[ . 1 .]" 1
723 1 87 THR HB 1 88 MET H 3.000 . 3.600 3.329 3.001 3.477 . 0 0 "[ . 1 .]" 1
724 1 87 THR HG1 1 89 ASP H 3.000 . 3.600 3.341 1.909 3.651 0.051 12 0 "[ . 1 .]" 1
725 1 87 THR HG1 1 91 ASN H 4.000 . 5.000 5.001 4.425 5.086 0.086 7 0 "[ . 1 .]" 1
726 1 87 THR HG1 1 92 VAL H 4.000 . 5.000 3.232 2.965 3.727 . 0 0 "[ . 1 .]" 1
727 1 87 THR HG1 1 92 VAL QG 4.000 . 7.400 2.665 2.394 2.965 . 0 0 "[ . 1 .]" 1
728 1 87 THR MG 1 88 MET H 4.000 . 5.300 3.533 3.304 4.211 . 0 0 "[ . 1 .]" 1
729 1 87 THR MG 1 89 ASP H 4.000 . 5.300 3.737 3.595 4.083 . 0 0 "[ . 1 .]" 1
730 1 87 THR MG 1 92 VAL H 4.000 . 5.300 4.383 4.259 4.414 . 0 0 "[ . 1 .]" 1
731 1 87 THR MG 1 92 VAL QG 4.000 . 7.700 1.604 1.566 1.685 0.234 11 0 "[ . 1 .]" 1
732 1 87 THR MG 1 94 TRP H 4.000 . 5.300 4.000 3.384 4.193 . 0 0 "[ . 1 .]" 1
733 1 87 THR MG 1 94 TRP HA 4.000 . 5.300 3.159 2.241 3.608 . 0 0 "[ . 1 .]" 1
734 1 87 THR MG 1 95 GLU H 4.000 . 5.300 3.724 3.313 3.930 . 0 0 "[ . 1 .]" 1
735 1 88 MET H 1 88 MET HA 3.000 . 3.600 2.868 2.799 2.919 . 0 0 "[ . 1 .]" 1
736 1 88 MET H 1 88 MET QB 3.000 . 4.600 2.129 1.910 2.462 . 0 0 "[ . 1 .]" 1
737 1 88 MET H 1 88 MET QG 3.000 . 4.600 3.177 2.052 3.953 . 0 0 "[ . 1 .]" 1
738 1 88 MET H 1 89 ASP H 3.000 . 3.600 2.818 2.723 2.954 . 0 0 "[ . 1 .]" 1
739 1 88 MET HA 1 89 ASP H 4.000 . 5.000 3.359 3.221 3.481 . 0 0 "[ . 1 .]" 1
740 1 88 MET QB 1 89 ASP H 4.000 . 6.000 3.525 3.237 3.846 . 0 0 "[ . 1 .]" 1
741 1 89 ASP H 1 89 ASP HA 3.000 . 3.600 2.981 2.971 2.989 . 0 0 "[ . 1 .]" 1
742 1 89 ASP H 1 89 ASP QB 3.000 . 4.600 2.256 2.097 2.443 . 0 0 "[ . 1 .]" 1
743 1 89 ASP H 1 90 PRO QD 3.000 . 4.600 4.288 4.263 4.305 . 0 0 "[ . 1 .]" 1
744 1 89 ASP H 1 92 VAL H 4.000 . 5.000 4.327 4.167 4.488 . 0 0 "[ . 1 .]" 1
745 1 89 ASP H 1 92 VAL HB 3.000 . 3.600 3.716 3.691 3.752 0.152 2 0 "[ . 1 .]" 1
746 1 89 ASP H 1 92 VAL QG 4.000 . 7.400 4.125 4.054 4.213 . 0 0 "[ . 1 .]" 1
747 1 89 ASP HA 1 90 PRO QD 3.000 . 4.600 1.934 1.907 1.954 . 0 0 "[ . 1 .]" 1
748 1 89 ASP HA 1 91 ASN H 4.000 . 5.000 3.662 3.552 3.754 . 0 0 "[ . 1 .]" 1
749 1 89 ASP HA 1 92 VAL H 4.000 . 5.000 4.852 4.594 5.024 0.024 6 0 "[ . 1 .]" 1
750 1 89 ASP QB 1 91 ASN H 4.000 . 6.000 2.376 2.162 2.760 . 0 0 "[ . 1 .]" 1
751 1 89 ASP QB 1 92 VAL H 3.000 . 4.600 3.070 2.665 3.266 . 0 0 "[ . 1 .]" 1
752 1 89 ASP QB 1 92 VAL QG 4.000 . 8.400 2.827 2.236 3.067 . 0 0 "[ . 1 .]" 1
753 1 90 PRO HA 1 91 ASN H 3.000 . 3.600 3.340 3.257 3.423 . 0 0 "[ . 1 .]" 1
754 1 90 PRO HA 1 92 VAL H 3.000 . 3.600 3.651 3.628 3.693 0.093 5 0 "[ . 1 .]" 1
755 1 90 PRO QB 1 91 ASN H 3.000 . 4.600 3.680 3.524 3.813 . 0 0 "[ . 1 .]" 1
756 1 90 PRO QD 1 91 ASN H 3.000 . 4.600 2.802 2.679 2.938 . 0 0 "[ . 1 .]" 1
757 1 90 PRO QD 1 92 VAL H 4.000 . 6.000 4.574 4.421 4.682 . 0 0 "[ . 1 .]" 1
758 1 90 PRO QG 1 91 ASN H 3.000 . 4.600 3.220 2.873 3.549 . 0 0 "[ . 1 .]" 1
759 1 91 ASN H 1 91 ASN HA 3.000 . 3.600 2.957 2.902 2.990 . 0 0 "[ . 1 .]" 1
760 1 91 ASN H 1 91 ASN QB 3.000 . 4.600 2.183 1.979 2.621 . 0 0 "[ . 1 .]" 1
761 1 91 ASN H 1 91 ASN QD 3.000 . 4.600 3.294 2.313 3.948 . 0 0 "[ . 1 .]" 1
762 1 91 ASN H 1 92 VAL H 2.500 . 2.700 2.292 2.120 2.484 . 0 0 "[ . 1 .]" 1
763 1 91 ASN H 1 92 VAL HB 4.000 . 5.000 4.349 4.132 4.566 . 0 0 "[ . 1 .]" 1
764 1 91 ASN H 1 92 VAL QG 4.000 . 7.400 3.619 3.320 3.886 . 0 0 "[ . 1 .]" 1
765 1 91 ASN HA 1 91 ASN QB 2.500 . 3.700 2.446 2.206 2.551 . 0 0 "[ . 1 .]" 1
766 1 91 ASN HA 1 92 VAL H 3.000 . 3.600 3.402 3.332 3.469 . 0 0 "[ . 1 .]" 1
767 1 91 ASN QB 1 92 VAL H 3.000 . 4.600 3.193 2.946 3.784 . 0 0 "[ . 1 .]" 1
768 1 91 ASN QB 1 92 VAL QG 4.000 . 8.400 2.601 2.264 3.217 . 0 0 "[ . 1 .]" 1
769 1 92 VAL H 1 92 VAL HA 3.000 . 3.600 2.998 2.993 3.002 . 0 0 "[ . 1 .]" 1
770 1 92 VAL H 1 92 VAL HB 3.000 . 3.600 2.557 2.410 2.645 . 0 0 "[ . 1 .]" 1
771 1 92 VAL H 1 92 VAL QG 3.000 . 6.000 2.671 2.536 2.755 . 0 0 "[ . 1 .]" 1
772 1 92 VAL H 1 93 ARG H 4.000 . 5.000 4.322 3.751 4.443 . 0 0 "[ . 1 .]" 1
773 1 92 VAL HA 1 92 VAL QG 3.000 . 6.000 2.080 2.023 2.134 . 0 0 "[ . 1 .]" 1
774 1 92 VAL HA 1 93 ARG H 2.500 . 2.700 2.269 2.232 2.372 . 0 0 "[ . 1 .]" 1
775 1 92 VAL HA 1 94 TRP H 4.000 . 5.000 4.383 3.984 4.637 . 0 0 "[ . 1 .]" 1
776 1 92 VAL QG 1 93 ARG H 4.000 . 7.400 2.696 2.437 3.472 . 0 0 "[ . 1 .]" 1
777 1 92 VAL QG 1 94 TRP H 4.000 . 7.400 2.819 2.548 3.274 . 0 0 "[ . 1 .]" 1
778 1 92 VAL QG 1 95 GLU H 4.000 . 7.400 4.330 4.043 4.539 . 0 0 "[ . 1 .]" 1
779 1 92 VAL QG 1 95 GLU QB 4.000 . 8.400 2.873 2.491 3.289 . 0 0 "[ . 1 .]" 1
780 1 92 VAL QG 1 95 GLU QG 4.000 . 8.400 3.003 1.744 4.070 0.056 10 0 "[ . 1 .]" 1
781 1 93 ARG H 1 93 ARG HA 2.500 . 2.700 2.880 2.729 2.927 0.227 9 0 "[ . 1 .]" 1
782 1 93 ARG H 1 93 ARG QB 3.000 . 4.600 2.175 1.964 2.640 . 0 0 "[ . 1 .]" 1
783 1 93 ARG H 1 93 ARG QG 4.000 . 6.000 3.457 1.857 4.010 . 0 0 "[ . 1 .]" 1
784 1 93 ARG H 1 94 TRP H 3.000 . 3.600 2.679 2.281 3.337 . 0 0 "[ . 1 .]" 1
785 1 93 ARG H 1 94 TRP HD1 4.000 . 5.000 4.861 4.303 5.028 0.028 1 0 "[ . 1 .]" 1
786 1 93 ARG QB 1 94 TRP H 3.000 . 4.600 2.230 1.958 3.385 . 0 0 "[ . 1 .]" 1
787 1 93 ARG QB 1 94 TRP HD1 4.000 . 6.000 2.356 1.882 3.302 . 0 0 "[ . 1 .]" 1
788 1 93 ARG QB 1 94 TRP HE1 4.000 . 6.000 4.001 3.544 5.370 . 0 0 "[ . 1 .]" 1
789 1 93 ARG QG 1 94 TRP H 3.000 . 4.600 3.649 1.810 4.190 . 0 0 "[ . 1 .]" 1
790 1 93 ARG QG 1 94 TRP HD1 4.000 . 6.000 2.923 1.852 4.022 . 0 0 "[ . 1 .]" 1
791 1 93 ARG QG 1 94 TRP HE1 4.000 . 6.000 4.615 3.612 5.295 . 0 0 "[ . 1 .]" 1
792 1 94 TRP H 1 94 TRP HA 3.000 . 3.600 2.941 2.926 2.968 . 0 0 "[ . 1 .]" 1
793 1 94 TRP H 1 94 TRP HD1 3.000 . 3.600 3.069 2.392 3.359 . 0 0 "[ . 1 .]" 1
794 1 94 TRP H 1 94 TRP HE1 4.000 . 5.000 4.607 4.330 4.905 . 0 0 "[ . 1 .]" 1
795 1 94 TRP H 1 95 GLU H 4.000 . 5.000 4.404 4.356 4.426 . 0 0 "[ . 1 .]" 1
796 1 94 TRP HA 1 95 GLU H 2.500 . 2.700 2.494 2.367 2.610 . 0 0 "[ . 1 .]" 1
797 1 94 TRP QB 1 95 GLU H 3.000 . 4.600 2.621 2.427 2.926 . 0 0 "[ . 1 .]" 1
798 1 94 TRP HE3 1 95 GLU H 3.000 . 3.600 2.411 1.973 2.642 . 0 0 "[ . 1 .]" 1
799 1 94 TRP HE3 1 96 TYR H 4.000 . 5.000 3.898 3.512 4.291 . 0 0 "[ . 1 .]" 1
800 1 94 TRP HH2 1 96 TYR H 4.000 . 5.000 4.777 4.202 5.030 0.030 1 0 "[ . 1 .]" 1
801 1 94 TRP HZ3 1 96 TYR H 4.000 . 5.000 3.109 2.428 3.862 . 0 0 "[ . 1 .]" 1
802 1 94 TRP HZ3 1 96 TYR QD 4.000 . 7.000 2.725 1.873 3.332 . 0 0 "[ . 1 .]" 1
803 1 94 TRP HZ3 1 96 TYR QE 4.000 . 7.000 3.246 2.247 3.964 . 0 0 "[ . 1 .]" 1
804 1 95 GLU H 1 95 GLU HA 3.000 . 3.600 2.935 2.882 2.974 . 0 0 "[ . 1 .]" 1
805 1 95 GLU H 1 95 GLU QB 3.000 . 4.600 2.739 2.610 2.897 . 0 0 "[ . 1 .]" 1
806 1 95 GLU H 1 95 GLU QG 4.000 . 6.000 4.001 3.213 4.376 . 0 0 "[ . 1 .]" 1
807 1 95 GLU H 1 96 TYR HA 4.000 . 5.000 4.761 4.683 4.842 . 0 0 "[ . 1 .]" 1
808 1 95 GLU HA 1 96 TYR H 2.500 . 2.700 2.328 2.243 2.424 . 0 0 "[ . 1 .]" 1
809 1 95 GLU QB 1 96 TYR H 3.000 . 4.600 3.176 2.569 3.661 . 0 0 "[ . 1 .]" 1
810 1 95 GLU QG 1 96 TYR H 4.000 . 6.000 2.922 1.889 4.061 . 0 0 "[ . 1 .]" 1
811 1 96 TYR H 1 96 TYR HA 3.000 . 3.600 2.898 2.848 2.942 . 0 0 "[ . 1 .]" 1
812 1 96 TYR H 1 96 TYR QB 3.000 . 4.600 2.031 1.946 2.176 . 0 0 "[ . 1 .]" 1
813 1 96 TYR H 1 96 TYR QD 3.000 . 5.600 2.902 2.067 3.424 . 0 0 "[ . 1 .]" 1
814 1 96 TYR H 1 96 TYR QE 4.000 . 7.000 4.929 4.256 5.340 . 0 0 "[ . 1 .]" 1
815 1 96 TYR H 1 97 CYS H 4.000 . 5.000 4.636 4.550 4.666 . 0 0 "[ . 1 .]" 1
816 1 96 TYR HA 1 96 TYR QD 4.000 . 7.000 2.436 1.844 3.018 . 0 0 "[ . 1 .]" 1
817 1 96 TYR HA 1 97 CYS H 3.000 . 3.600 2.512 2.295 2.647 . 0 0 "[ . 1 .]" 1
818 1 96 TYR QB 1 96 TYR QE 4.000 . 8.000 3.975 3.960 4.014 . 0 0 "[ . 1 .]" 1
819 1 96 TYR QB 1 97 CYS H 3.000 . 4.600 2.512 2.189 3.082 . 0 0 "[ . 1 .]" 1
820 1 96 TYR QD 1 97 CYS H 3.000 . 5.600 3.003 2.310 3.966 . 0 0 "[ . 1 .]" 1
821 1 97 CYS H 1 97 CYS HA 3.000 . 3.600 2.982 2.918 2.999 . 0 0 "[ . 1 .]" 1
822 1 97 CYS H 1 97 CYS QB 3.000 . 4.600 2.293 2.082 2.594 . 0 0 "[ . 1 .]" 1
823 1 97 CYS H 1 99 LEU HG 4.000 . 5.000 4.598 3.826 5.002 0.002 13 0 "[ . 1 .]" 1
824 1 97 CYS HA 1 98 ASN H 3.000 . 3.600 2.316 2.223 2.561 . 0 0 "[ . 1 .]" 1
825 1 97 CYS HA 1 99 LEU H 4.000 . 5.000 4.931 4.604 5.089 0.089 15 0 "[ . 1 .]" 1
826 1 97 CYS HA 1 99 LEU QD 4.000 . 7.400 3.822 3.075 4.294 . 0 0 "[ . 1 .]" 1
827 1 97 CYS QB 1 98 ASN H 4.000 . 6.000 2.913 2.286 3.296 . 0 0 "[ . 1 .]" 1
828 1 97 CYS QB 1 99 LEU H 4.000 . 6.000 4.069 3.410 4.457 . 0 0 "[ . 1 .]" 1
829 1 97 CYS QB 1 99 LEU QD 4.000 . 8.400 1.782 1.618 1.964 0.182 1 0 "[ . 1 .]" 1
830 1 98 ASN H 1 98 ASN HA 3.000 . 3.600 2.848 2.794 2.946 . 0 0 "[ . 1 .]" 1
831 1 98 ASN H 1 98 ASN QB 3.000 . 4.600 2.117 1.951 2.307 . 0 0 "[ . 1 .]" 1
832 1 98 ASN HA 1 98 ASN QD 4.000 . 6.000 3.858 3.712 3.988 . 0 0 "[ . 1 .]" 1
833 1 98 ASN HA 1 99 LEU H 2.500 . 2.700 2.494 2.387 2.718 0.018 12 0 "[ . 1 .]" 1
834 1 98 ASN QB 1 99 LEU H 4.000 . 6.000 3.902 3.862 3.964 . 0 0 "[ . 1 .]" 1
835 1 99 LEU H 1 99 LEU HA 3.000 . 3.600 2.980 2.948 2.999 . 0 0 "[ . 1 .]" 1
836 1 99 LEU H 1 99 LEU QB 3.000 . 4.600 2.705 2.171 3.320 . 0 0 "[ . 1 .]" 1
837 1 99 LEU H 1 99 LEU QD 4.000 . 7.400 2.944 1.723 3.632 0.077 8 0 "[ . 1 .]" 1
838 1 99 LEU H 1 99 LEU HG 3.000 . 3.600 3.058 2.101 3.761 0.161 1 0 "[ . 1 .]" 1
839 1 99 LEU H 1 100 THR H 4.000 . 5.000 4.381 4.258 4.559 . 0 0 "[ . 1 .]" 1
840 1 99 LEU HA 1 99 LEU QD 4.000 . 7.400 2.221 1.781 3.348 0.019 3 0 "[ . 1 .]" 1
841 1 99 LEU HA 1 100 THR H 2.500 . 2.700 2.218 2.173 2.343 . 0 0 "[ . 1 .]" 1
842 1 99 LEU QB 1 100 THR H 3.000 . 4.600 3.063 2.672 3.159 . 0 0 "[ . 1 .]" 1
843 1 99 LEU QD 1 100 THR H 4.000 . 7.400 3.505 2.983 4.285 . 0 0 "[ . 1 .]" 1
844 1 100 THR H 1 100 THR HA 3.000 . 3.600 2.973 2.916 2.995 . 0 0 "[ . 1 .]" 1
845 1 100 THR H 1 100 THR HB 3.000 . 3.600 3.677 3.615 3.745 0.145 7 0 "[ . 1 .]" 1
846 1 100 THR H 1 100 THR MG 4.000 . 5.300 2.871 2.297 3.648 . 0 0 "[ . 1 .]" 1
847 1 100 THR HA 1 100 THR MG 2.500 . 3.000 2.278 2.034 2.444 . 0 0 "[ . 1 .]" 1
848 1 100 THR HA 1 101 GLN H 2.500 . 2.700 2.405 2.379 2.437 . 0 0 "[ . 1 .]" 1
849 1 100 THR HB 1 101 GLN H 2.500 . 2.700 2.782 2.726 2.829 0.129 1 0 "[ . 1 .]" 1
850 1 100 THR MG 1 101 GLN H 4.000 . 5.300 3.770 3.202 4.051 . 0 0 "[ . 1 .]" 1
851 1 101 GLN H 1 101 GLN HA 3.000 . 3.600 2.841 2.785 2.893 . 0 0 "[ . 1 .]" 1
852 1 101 GLN H 1 101 GLN QB 2.500 . 3.700 2.033 1.934 2.172 . 0 0 "[ . 1 .]" 1
853 1 101 GLN H 1 101 GLN QG 3.000 . 4.600 3.264 2.687 3.870 . 0 0 "[ . 1 .]" 1
854 1 101 GLN H 1 102 CYS H 4.000 . 5.000 4.278 4.119 4.494 . 0 0 "[ . 1 .]" 1
855 1 101 GLN HA 1 101 GLN QE 4.000 . 6.000 4.510 3.607 4.755 . 0 0 "[ . 1 .]" 1
856 1 101 GLN HA 1 102 CYS H 2.500 . 2.700 2.301 2.231 2.401 . 0 0 "[ . 1 .]" 1
857 1 101 GLN QB 1 102 CYS H 3.000 . 4.600 3.872 3.608 4.030 . 0 0 "[ . 1 .]" 1
858 1 101 GLN QG 1 102 CYS H 3.000 . 4.600 3.879 3.501 4.107 . 0 0 "[ . 1 .]" 1
859 1 102 CYS H 1 102 CYS HA 3.000 . 3.600 2.793 2.708 2.963 . 0 0 "[ . 1 .]" 1
860 1 102 CYS H 1 102 CYS QB 3.000 . 4.600 2.214 1.947 2.593 . 0 0 "[ . 1 .]" 1
861 1 104 VAL H 1 104 VAL HA 3.000 . 3.600 2.939 2.798 3.002 . 0 0 "[ . 1 .]" 1
862 1 104 VAL H 1 104 VAL HB 2.500 . 2.700 2.469 2.176 2.634 . 0 0 "[ . 1 .]" 1
863 1 104 VAL H 1 104 VAL QG 3.000 . 6.000 2.341 1.845 2.914 . 0 0 "[ . 1 .]" 1
864 1 104 VAL HB 1 105 THR H 3.000 . 3.600 3.225 1.896 3.680 0.080 4 0 "[ . 1 .]" 1
865 1 104 VAL QG 1 105 THR H 4.000 . 7.400 2.455 1.754 3.634 0.046 11 0 "[ . 1 .]" 1
866 1 105 THR H 1 105 THR HA 3.000 . 3.600 2.946 2.796 3.002 . 0 0 "[ . 1 .]" 1
867 1 105 THR H 1 105 THR HB 2.500 . 2.700 2.572 2.340 2.734 0.034 5 0 "[ . 1 .]" 1
868 1 105 THR H 1 105 THR MG 4.000 . 5.300 2.965 1.962 3.866 . 0 0 "[ . 1 .]" 1
869 1 106 GLU H 1 106 GLU HA 2.500 . 2.700 2.647 2.362 2.851 0.151 10 0 "[ . 1 .]" 1
870 1 106 GLU H 1 106 GLU QB 3.000 . 4.600 2.669 1.964 3.376 . 0 0 "[ . 1 .]" 1
871 1 106 GLU H 1 106 GLU QG 3.000 . 4.600 3.056 2.098 4.106 . 0 0 "[ . 1 .]" 1
872 1 106 GLU HA 1 107 SER H 3.000 . 3.600 2.606 2.219 3.590 . 0 0 "[ . 1 .]" 1
873 1 109 VAL H 1 109 VAL HB 4.000 . 5.000 2.882 2.280 3.824 . 0 0 "[ . 1 .]" 1
874 1 109 VAL H 1 109 VAL QG 4.000 . 7.400 2.090 1.786 2.330 0.014 10 0 "[ . 1 .]" 1
875 1 110 LEU HA 1 111 ALA H 3.000 . 3.600 2.776 2.225 3.556 . 0 0 "[ . 1 .]" 1
876 1 113 SER H 1 113 SER HA 3.000 . 3.600 2.870 2.789 2.939 . 0 0 "[ . 1 .]" 1
877 1 116 VAL H 1 116 VAL HB 4.000 . 5.000 2.608 2.239 3.706 . 0 0 "[ . 1 .]" 1
878 1 116 VAL H 1 116 VAL QG 4.000 . 7.400 2.337 1.823 2.816 . 0 0 "[ . 1 .]" 1
879 1 116 VAL HA 1 117 SER H 4.000 . 5.000 2.736 2.216 3.500 . 0 0 "[ . 1 .]" 1
880 1 117 SER H 1 117 SER HA 3.000 . 3.600 2.982 2.957 3.003 . 0 0 "[ . 1 .]" 1
881 1 118 GLU H 1 118 GLU HA 3.000 . 3.600 2.888 2.362 3.000 . 0 0 "[ . 1 .]" 1
882 1 118 GLU H 1 118 GLU QB 3.000 . 4.600 2.548 1.978 3.229 . 0 0 "[ . 1 .]" 1
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