NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405116 |
1x4x   |
11125 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4x
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 1634
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 204.174
_Distance_constraint_stats_list.Viol_max 0.970
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0255
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.001 0.001 6 0 "[ . 1 . 2]"
1 8 PRO 0.031 0.007 5 0 "[ . 1 . 2]"
1 9 ASP 0.006 0.003 15 0 "[ . 1 . 2]"
1 10 GLN 0.019 0.005 5 0 "[ . 1 . 2]"
1 11 CYS 0.061 0.018 2 0 "[ . 1 . 2]"
1 12 LYS 0.037 0.007 10 0 "[ . 1 . 2]"
1 13 PRO 0.037 0.007 10 0 "[ . 1 . 2]"
1 14 PRO 0.087 0.016 2 0 "[ . 1 . 2]"
1 15 GLN 0.128 0.013 7 0 "[ . 1 . 2]"
1 16 VAL 0.108 0.013 7 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.007 0.004 15 0 "[ . 1 . 2]"
1 19 ARG 0.232 0.116 16 0 "[ . 1 . 2]"
1 20 SER 0.002 0.002 9 0 "[ . 1 . 2]"
1 21 ALA 0.016 0.006 15 0 "[ . 1 . 2]"
1 22 THR 0.007 0.002 14 0 "[ . 1 . 2]"
1 23 CYS 0.012 0.003 3 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 16 0 "[ . 1 . 2]"
1 25 GLN 0.009 0.004 15 0 "[ . 1 . 2]"
1 26 VAL 0.027 0.004 18 0 "[ . 1 . 2]"
1 27 ASN 0.011 0.004 15 0 "[ . 1 . 2]"
1 28 TRP 0.046 0.006 1 0 "[ . 1 . 2]"
1 29 GLU 0.819 0.072 11 0 "[ . 1 . 2]"
1 30 VAL 0.829 0.072 11 0 "[ . 1 . 2]"
1 31 PRO 0.019 0.005 9 0 "[ . 1 . 2]"
1 32 LEU 0.006 0.003 15 0 "[ . 1 . 2]"
1 33 SER 0.033 0.008 19 0 "[ . 1 . 2]"
1 34 ASN 0.029 0.008 19 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.010 0.005 14 0 "[ . 1 . 2]"
1 37 ASP 0.005 0.005 14 0 "[ . 1 . 2]"
1 38 VAL 0.023 0.007 5 0 "[ . 1 . 2]"
1 39 THR 0.009 0.003 7 0 "[ . 1 . 2]"
1 40 GLU 0.026 0.004 5 0 "[ . 1 . 2]"
1 41 TYR 6.825 0.970 13 5 "[ *. * 1 + - * 2]"
1 42 ARG 0.010 0.005 9 0 "[ . 1 . 2]"
1 43 LEU 0.005 0.005 15 0 "[ . 1 . 2]"
1 44 GLU 0.058 0.020 10 0 "[ . 1 . 2]"
1 45 TRP 0.012 0.004 18 0 "[ . 1 . 2]"
1 46 GLY 0.185 0.036 13 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.238 0.067 18 0 "[ . 1 . 2]"
1 49 GLU 0.017 0.017 6 0 "[ . 1 . 2]"
1 50 GLY 0.210 0.067 18 0 "[ . 1 . 2]"
1 51 SER 0.077 0.019 18 0 "[ . 1 . 2]"
1 52 MET 0.242 0.036 13 0 "[ . 1 . 2]"
1 53 GLN 0.052 0.024 17 0 "[ . 1 . 2]"
1 54 ILE 0.093 0.024 17 0 "[ . 1 . 2]"
1 55 CYS 0.007 0.007 10 0 "[ . 1 . 2]"
1 56 TYR 0.652 0.059 10 0 "[ . 1 . 2]"
1 57 CYS 0.630 0.059 10 0 "[ . 1 . 2]"
1 58 GLY 0.012 0.004 5 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 3 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.031 0.004 3 0 "[ . 1 . 2]"
1 62 SER 0.017 0.004 3 0 "[ . 1 . 2]"
1 63 TYR 0.013 0.003 18 0 "[ . 1 . 2]"
1 64 GLU 0.085 0.035 9 0 "[ . 1 . 2]"
1 65 ILE 0.075 0.035 9 0 "[ . 1 . 2]"
1 66 LYS 0.009 0.003 3 0 "[ . 1 . 2]"
1 67 GLY 0.001 0.001 17 0 "[ . 1 . 2]"
1 68 LEU 0.015 0.005 15 0 "[ . 1 . 2]"
1 69 SER 0.001 0.000 7 0 "[ . 1 . 2]"
1 70 PRO 0.004 0.002 14 0 "[ . 1 . 2]"
1 71 ALA 0.010 0.004 9 0 "[ . 1 . 2]"
1 72 THR 0.003 0.001 9 0 "[ . 1 . 2]"
1 73 THR 0.010 0.004 10 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 0.020 0.008 15 0 "[ . 1 . 2]"
1 76 CYS 0.006 0.004 3 0 "[ . 1 . 2]"
1 77 ARG 0.013 0.007 10 0 "[ . 1 . 2]"
1 78 VAL 0.900 0.310 4 0 "[ . 1 . 2]"
1 79 GLN 0.085 0.060 8 0 "[ . 1 . 2]"
1 80 ALA 2.471 0.970 13 3 "[ . 1 + - * 2]"
1 81 LEU 0.008 0.004 9 0 "[ . 1 . 2]"
1 82 SER 0.032 0.009 3 0 "[ . 1 . 2]"
1 83 VAL 0.234 0.071 15 0 "[ . 1 . 2]"
1 84 VAL 0.231 0.071 15 0 "[ . 1 . 2]"
1 85 GLY 0.033 0.010 3 0 "[ . 1 . 2]"
1 86 ALA 0.024 0.010 3 0 "[ . 1 . 2]"
1 87 GLY 0.005 0.004 3 0 "[ . 1 . 2]"
1 88 PRO 0.012 0.004 9 0 "[ . 1 . 2]"
1 89 PHE 0.001 0.001 12 0 "[ . 1 . 2]"
1 90 SER 0.008 0.005 5 0 "[ . 1 . 2]"
1 91 GLU 0.006 0.005 15 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 16 0 "[ . 1 . 2]"
1 93 VAL 0.010 0.008 15 0 "[ . 1 . 2]"
1 94 ALA 0.004 0.004 3 0 "[ . 1 . 2]"
1 95 CYS 0.007 0.004 5 0 "[ . 1 . 2]"
1 96 VAL 0.009 0.004 5 0 "[ . 1 . 2]"
1 97 THR 0.002 0.002 6 0 "[ . 1 . 2]"
1 98 PRO 0.008 0.006 15 0 "[ . 1 . 2]"
1 99 PRO 0.004 0.004 9 0 "[ . 1 . 2]"
1 100 SER 0.002 0.002 3 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 PRO 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 6 SER HA 1 84 VAL MG1 . . 4.810 3.589 2.817 4.182 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER HA 1 84 VAL MG2 . . 4.760 4.217 3.235 4.681 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER QB 1 7 GLY H . . 4.100 3.507 2.148 3.972 . 0 0 "[ . 1 . 2]" 1
4 1 6 SER QB 1 84 VAL MG2 . . 4.940 2.865 2.069 4.611 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY H 1 8 PRO HA . . 5.140 4.984 4.843 5.123 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 8 PRO QD . . 2.960 2.005 1.947 2.035 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY QA 1 84 VAL MG1 . . 4.090 2.605 2.227 2.872 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY QA 1 84 VAL MG2 . . 4.880 4.653 4.084 4.877 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY QA 1 85 GLY H . . 5.080 4.786 4.160 5.081 0.001 6 0 "[ . 1 . 2]" 1
10 1 8 PRO HA 1 9 ASP H . . 3.210 2.529 2.430 2.654 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO HA 1 9 ASP QB . . 5.190 4.332 4.111 4.631 . 0 0 "[ . 1 . 2]" 1
12 1 8 PRO HB2 1 9 ASP H . . 4.100 2.308 2.037 2.537 . 0 0 "[ . 1 . 2]" 1
13 1 8 PRO HB2 1 9 ASP QB . . 4.810 4.229 3.911 4.810 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO HB2 1 38 VAL MG2 . . 4.240 4.064 3.551 4.247 0.007 5 0 "[ . 1 . 2]" 1
15 1 8 PRO HB2 1 80 ALA MB . . 3.720 3.592 3.255 3.723 0.003 15 0 "[ . 1 . 2]" 1
16 1 8 PRO HB3 1 9 ASP H . . 4.070 3.309 3.194 3.414 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO HB3 1 33 SER HA . . 4.580 4.153 3.090 4.580 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HB3 1 33 SER QB . . 4.510 2.706 1.834 3.888 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HB3 1 38 VAL MG2 . . 4.090 3.701 3.100 4.064 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO QD 1 82 SER H . . 4.890 4.425 3.696 4.887 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO QD 1 84 VAL MG1 . . 5.350 3.597 3.226 4.004 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO QD 1 87 GLY H . . 4.660 3.777 2.809 4.418 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO QG 1 9 ASP H . . 4.850 3.943 3.722 4.114 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO QG 1 33 SER QB . . 5.000 4.261 3.500 5.002 0.002 9 0 "[ . 1 . 2]" 1
25 1 8 PRO QG 1 38 VAL HA . . 4.540 4.370 3.878 4.542 0.002 6 0 "[ . 1 . 2]" 1
26 1 8 PRO QG 1 38 VAL MG2 . . 3.720 3.117 2.538 3.534 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO QG 1 80 ALA MB . . 3.540 2.583 2.255 2.977 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO QG 1 82 SER HB2 . . 4.980 4.730 4.245 4.985 0.005 11 0 "[ . 1 . 2]" 1
29 1 8 PRO QG 1 82 SER HB3 . . 4.120 3.221 2.868 3.508 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO QG 1 87 GLY H . . 3.980 3.707 3.025 3.984 0.004 3 0 "[ . 1 . 2]" 1
31 1 9 ASP H 1 9 ASP HB2 . . 3.890 2.543 2.206 3.631 . 0 0 "[ . 1 . 2]" 1
32 1 9 ASP H 1 9 ASP QB . . 3.400 2.321 2.184 2.703 . 0 0 "[ . 1 . 2]" 1
33 1 9 ASP H 1 9 ASP HB3 . . 3.890 3.103 2.570 3.591 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP H 1 31 PRO HB2 . . 4.670 3.555 2.774 4.339 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP HA 1 10 GLN H . . 3.080 2.364 2.316 2.380 . 0 0 "[ . 1 . 2]" 1
36 1 9 ASP QB 1 31 PRO HB2 . . 4.020 2.975 2.528 3.957 . 0 0 "[ . 1 . 2]" 1
37 1 9 ASP QB 1 32 LEU QB . . 4.030 3.817 3.372 4.033 0.003 15 0 "[ . 1 . 2]" 1
38 1 9 ASP HB2 1 10 GLN H . . 4.020 3.735 2.528 4.011 . 0 0 "[ . 1 . 2]" 1
39 1 9 ASP HB2 1 31 PRO HB2 . . 4.610 3.584 2.653 4.530 . 0 0 "[ . 1 . 2]" 1
40 1 9 ASP HB2 1 32 LEU H . . 4.730 4.087 3.203 4.731 0.001 3 0 "[ . 1 . 2]" 1
41 1 9 ASP HB3 1 10 GLN H . . 4.020 3.091 2.518 3.855 . 0 0 "[ . 1 . 2]" 1
42 1 9 ASP HB3 1 31 PRO HB2 . . 4.610 3.590 2.556 4.531 . 0 0 "[ . 1 . 2]" 1
43 1 9 ASP HB3 1 32 LEU H . . 4.730 4.228 3.378 4.731 0.001 11 0 "[ . 1 . 2]" 1
44 1 10 GLN H 1 10 GLN HB2 . . 3.320 2.411 2.275 2.680 . 0 0 "[ . 1 . 2]" 1
45 1 10 GLN H 1 10 GLN HB3 . . 3.320 2.677 2.383 2.833 . 0 0 "[ . 1 . 2]" 1
46 1 10 GLN H 1 10 GLN HG2 . . 4.740 4.489 4.381 4.590 . 0 0 "[ . 1 . 2]" 1
47 1 10 GLN H 1 10 GLN HG3 . . 4.740 4.352 4.245 4.473 . 0 0 "[ . 1 . 2]" 1
48 1 10 GLN H 1 11 CYS H . . 4.840 4.632 4.581 4.649 . 0 0 "[ . 1 . 2]" 1
49 1 10 GLN H 1 88 PRO QD . . 4.890 4.420 4.108 4.830 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLN HA 1 11 CYS H . . 3.170 2.267 2.175 2.346 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLN HA 1 11 CYS HB2 . . 4.750 4.473 4.309 4.744 . 0 0 "[ . 1 . 2]" 1
52 1 10 GLN HA 1 88 PRO HB2 . . 4.410 4.244 2.988 4.412 0.002 15 0 "[ . 1 . 2]" 1
53 1 10 GLN HA 1 88 PRO QD . . 4.050 2.975 2.547 3.945 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLN HA 1 88 PRO HG2 . . 4.310 2.142 2.000 2.371 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLN HA 1 88 PRO QG . . 3.570 2.115 1.973 2.335 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLN HA 1 88 PRO HG3 . . 4.310 3.289 3.018 3.751 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLN QE 1 90 SER HA . . 3.560 2.398 2.126 2.681 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLN QE 1 90 SER HB2 . . 4.970 3.995 3.545 4.435 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLN QE 1 91 GLU H . . 3.860 3.143 2.884 3.451 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLN QE 1 91 GLU QG . . 3.690 2.533 2.282 3.253 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLN HE21 1 90 SER HA . . 4.060 2.458 2.139 2.987 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLN HE21 1 91 GLU H . . 4.440 3.291 3.012 3.741 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLN HE21 1 91 GLU HG2 . . 5.100 4.067 3.193 4.791 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLN HE21 1 91 GLU HG3 . . 5.100 3.536 2.681 4.991 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLN HE22 1 90 SER HA . . 4.060 3.850 2.448 4.062 0.002 1 0 "[ . 1 . 2]" 1
66 1 10 GLN HE22 1 91 GLU H . . 4.440 4.011 3.679 4.371 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLN HE22 1 91 GLU HG2 . . 5.100 3.545 2.630 5.091 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLN HE22 1 91 GLU HG3 . . 5.100 3.143 2.394 4.972 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLN QG 1 11 CYS H . . 3.800 2.143 1.901 2.863 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLN QG 1 88 PRO HB2 . . 4.500 3.445 2.978 4.498 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLN QG 1 91 GLU H . . 4.800 4.648 4.242 4.805 0.005 15 0 "[ . 1 . 2]" 1
72 1 10 GLN HG2 1 11 CYS H . . 4.450 2.409 1.966 4.234 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLN HG2 1 90 SER HA . . 4.110 3.297 2.921 4.111 0.001 6 0 "[ . 1 . 2]" 1
74 1 10 GLN HG3 1 11 CYS H . . 4.450 2.918 1.928 3.427 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLN HG3 1 90 SER HA . . 4.110 3.795 3.021 4.115 0.005 5 0 "[ . 1 . 2]" 1
76 1 11 CYS H 1 11 CYS HB2 . . 3.560 2.365 2.187 2.634 . 0 0 "[ . 1 . 2]" 1
77 1 11 CYS H 1 11 CYS HB3 . . 4.070 3.590 3.486 3.731 . 0 0 "[ . 1 . 2]" 1
78 1 11 CYS H 1 11 CYS HG . . 3.910 3.286 2.615 3.595 . 0 0 "[ . 1 . 2]" 1
79 1 11 CYS H 1 12 LYS H . . 4.790 4.538 4.445 4.610 . 0 0 "[ . 1 . 2]" 1
80 1 11 CYS H 1 78 VAL MG1 . . 5.500 5.496 5.463 5.518 0.018 2 0 "[ . 1 . 2]" 1
81 1 11 CYS H 1 80 ALA H . . 5.500 5.068 4.774 5.377 . 0 0 "[ . 1 . 2]" 1
82 1 11 CYS H 1 88 PRO HB2 . . 4.920 4.715 4.036 4.924 0.004 9 0 "[ . 1 . 2]" 1
83 1 11 CYS H 1 88 PRO QG . . 4.430 3.230 2.919 3.608 . 0 0 "[ . 1 . 2]" 1
84 1 11 CYS HA 1 12 LYS H . . 3.020 2.239 2.158 2.539 . 0 0 "[ . 1 . 2]" 1
85 1 11 CYS HB2 1 12 LYS H . . 4.370 4.077 3.512 4.290 . 0 0 "[ . 1 . 2]" 1
86 1 11 CYS HB2 1 78 VAL MG1 . . 3.730 3.556 3.291 3.738 0.008 9 0 "[ . 1 . 2]" 1
87 1 11 CYS HB2 1 90 SER H . . 4.130 3.307 2.731 3.960 . 0 0 "[ . 1 . 2]" 1
88 1 11 CYS HB2 1 90 SER HB3 . . 4.180 2.674 2.224 3.054 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS HB3 1 12 LYS H . . 3.670 2.953 2.137 3.232 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS HB3 1 78 VAL MG1 . . 3.720 2.903 2.667 3.314 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS HB3 1 78 VAL MG2 . . 5.020 4.151 3.921 4.470 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS HB3 1 90 SER HB3 . . 4.540 2.848 2.240 3.836 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS HG 1 12 LYS H . . 5.040 4.792 4.416 5.027 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS HG 1 80 ALA H . . 4.000 3.305 2.463 4.002 0.002 3 0 "[ . 1 . 2]" 1
95 1 11 CYS HG 1 80 ALA MB . . 4.830 2.406 2.090 2.925 . 0 0 "[ . 1 . 2]" 1
96 1 12 LYS H 1 12 LYS HB2 . . 3.700 2.662 2.239 3.650 . 0 0 "[ . 1 . 2]" 1
97 1 12 LYS H 1 12 LYS QB . . 3.050 2.354 2.215 2.544 . 0 0 "[ . 1 . 2]" 1
98 1 12 LYS H 1 12 LYS HB3 . . 3.700 3.316 2.429 3.692 . 0 0 "[ . 1 . 2]" 1
99 1 12 LYS H 1 12 LYS QD . . 4.750 4.108 1.880 4.578 . 0 0 "[ . 1 . 2]" 1
100 1 12 LYS H 1 12 LYS HG2 . . 3.990 2.836 2.410 3.641 . 0 0 "[ . 1 . 2]" 1
101 1 12 LYS H 1 12 LYS QG . . 3.330 2.624 2.364 3.276 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS H 1 12 LYS HG3 . . 3.990 3.399 2.657 3.961 . 0 0 "[ . 1 . 2]" 1
103 1 12 LYS HA 1 12 LYS QD . . 4.320 2.979 2.034 4.211 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS HA 1 12 LYS HG2 . . 4.030 3.001 2.319 3.975 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS HA 1 12 LYS QG . . 3.480 2.752 2.269 3.330 . 0 0 "[ . 1 . 2]" 1
106 1 12 LYS HA 1 12 LYS HG3 . . 4.030 3.562 2.807 3.784 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS HA 1 13 PRO HB3 . . 5.220 4.845 4.843 4.847 . 0 0 "[ . 1 . 2]" 1
108 1 12 LYS HA 1 13 PRO HD2 . . 3.200 2.386 2.376 2.392 . 0 0 "[ . 1 . 2]" 1
109 1 12 LYS HA 1 13 PRO HD3 . . 3.070 2.296 2.292 2.298 . 0 0 "[ . 1 . 2]" 1
110 1 12 LYS HA 1 13 PRO HG2 . . 4.640 4.501 4.493 4.506 . 0 0 "[ . 1 . 2]" 1
111 1 12 LYS HA 1 13 PRO HG3 . . 4.510 4.464 4.459 4.468 . 0 0 "[ . 1 . 2]" 1
112 1 12 LYS QB 1 12 LYS QE . . 4.280 3.193 2.229 3.807 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS QB 1 13 PRO HA . . 4.870 4.613 4.523 4.862 . 0 0 "[ . 1 . 2]" 1
114 1 12 LYS QB 1 13 PRO HD2 . . 3.150 2.070 1.984 2.231 . 0 0 "[ . 1 . 2]" 1
115 1 12 LYS QB 1 13 PRO HD3 . . 3.580 3.417 3.313 3.550 . 0 0 "[ . 1 . 2]" 1
116 1 12 LYS HB2 1 13 PRO HD2 . . 3.900 3.267 1.995 3.780 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS HB3 1 13 PRO HD2 . . 3.900 2.458 2.025 3.502 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS QD 1 13 PRO HD2 . . 3.880 2.753 1.954 3.794 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS QD 1 13 PRO HD3 . . 4.920 3.803 2.663 4.923 0.003 14 0 "[ . 1 . 2]" 1
120 1 12 LYS QG 1 13 PRO HD2 . . 4.060 3.544 2.907 3.832 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS QG 1 13 PRO HD3 . . 4.570 4.351 3.739 4.577 0.007 10 0 "[ . 1 . 2]" 1
122 1 12 LYS HG2 1 13 PRO HD2 . . 4.830 4.103 3.070 4.719 . 0 0 "[ . 1 . 2]" 1
123 1 12 LYS HG3 1 13 PRO HD2 . . 4.830 4.062 2.961 4.471 . 0 0 "[ . 1 . 2]" 1
124 1 13 PRO HA 1 14 PRO HB3 . . 4.990 4.862 4.846 4.883 . 0 0 "[ . 1 . 2]" 1
125 1 13 PRO HA 1 14 PRO HD2 . . 3.500 2.061 2.002 2.131 . 0 0 "[ . 1 . 2]" 1
126 1 13 PRO HA 1 14 PRO HD3 . . 3.550 2.287 2.265 2.319 . 0 0 "[ . 1 . 2]" 1
127 1 13 PRO HA 1 90 SER HB2 . . 3.970 2.598 2.456 2.844 . 0 0 "[ . 1 . 2]" 1
128 1 13 PRO HA 1 90 SER HB3 . . 4.220 3.712 3.359 3.967 . 0 0 "[ . 1 . 2]" 1
129 1 13 PRO HA 1 93 VAL MG2 . . 3.990 2.966 2.769 3.146 . 0 0 "[ . 1 . 2]" 1
130 1 13 PRO HB2 1 14 PRO HD2 . . 4.540 3.230 3.026 3.420 . 0 0 "[ . 1 . 2]" 1
131 1 13 PRO HB2 1 93 VAL HA . . 5.200 4.783 4.539 5.005 . 0 0 "[ . 1 . 2]" 1
132 1 13 PRO HB2 1 93 VAL MG1 . . 3.930 3.678 3.404 3.878 . 0 0 "[ . 1 . 2]" 1
133 1 13 PRO HB2 1 93 VAL MG2 . . 3.450 1.982 1.838 2.212 . 0 0 "[ . 1 . 2]" 1
134 1 13 PRO HB3 1 14 PRO HD2 . . 4.300 3.400 3.264 3.531 . 0 0 "[ . 1 . 2]" 1
135 1 13 PRO HB3 1 91 GLU HA . . 5.490 4.692 4.439 5.035 . 0 0 "[ . 1 . 2]" 1
136 1 13 PRO HB3 1 93 VAL HA . . 5.500 4.907 4.722 5.060 . 0 0 "[ . 1 . 2]" 1
137 1 13 PRO HB3 1 93 VAL MG1 . . 4.820 4.654 4.354 4.794 . 0 0 "[ . 1 . 2]" 1
138 1 13 PRO HB3 1 93 VAL MG2 . . 3.220 2.419 2.250 2.576 . 0 0 "[ . 1 . 2]" 1
139 1 13 PRO HD3 1 91 GLU HB2 . . 3.740 3.101 2.694 3.604 . 0 0 "[ . 1 . 2]" 1
140 1 13 PRO HG2 1 91 GLU H . . 5.500 5.291 4.997 5.498 . 0 0 "[ . 1 . 2]" 1
141 1 13 PRO HG2 1 93 VAL MG2 . . 4.480 3.828 3.594 4.125 . 0 0 "[ . 1 . 2]" 1
142 1 13 PRO HG3 1 91 GLU H . . 4.610 4.114 3.809 4.273 . 0 0 "[ . 1 . 2]" 1
143 1 13 PRO HG3 1 91 GLU HB2 . . 3.880 2.730 2.400 3.095 . 0 0 "[ . 1 . 2]" 1
144 1 13 PRO HG3 1 93 VAL MG2 . . 4.620 3.767 3.437 4.080 . 0 0 "[ . 1 . 2]" 1
145 1 14 PRO HB2 1 15 GLN H . . 3.970 2.663 2.336 2.907 . 0 0 "[ . 1 . 2]" 1
146 1 14 PRO HB2 1 16 VAL MG1 . . 4.040 3.941 3.823 3.993 . 0 0 "[ . 1 . 2]" 1
147 1 14 PRO HB2 1 26 VAL MG1 . . 3.340 1.944 1.811 2.149 . 0 0 "[ . 1 . 2]" 1
148 1 14 PRO HB2 1 26 VAL MG2 . . 4.680 4.333 4.070 4.622 . 0 0 "[ . 1 . 2]" 1
149 1 14 PRO HB2 1 27 ASN H . . 4.670 2.469 2.290 2.733 . 0 0 "[ . 1 . 2]" 1
150 1 14 PRO HB2 1 28 TRP HE3 . . 4.660 3.676 3.430 4.096 . 0 0 "[ . 1 . 2]" 1
151 1 14 PRO HB2 1 43 LEU MD1 . . 4.930 4.422 4.000 4.752 . 0 0 "[ . 1 . 2]" 1
152 1 14 PRO HB2 1 78 VAL HB . . 5.500 5.334 5.060 5.490 . 0 0 "[ . 1 . 2]" 1
153 1 14 PRO HB2 1 78 VAL MG1 . . 4.560 4.458 4.265 4.576 0.016 2 0 "[ . 1 . 2]" 1
154 1 14 PRO HB3 1 15 GLN H . . 3.710 3.482 3.320 3.612 . 0 0 "[ . 1 . 2]" 1
155 1 14 PRO HB3 1 16 VAL MG1 . . 5.400 5.359 5.226 5.403 0.003 7 0 "[ . 1 . 2]" 1
156 1 14 PRO HB3 1 26 VAL MG1 . . 3.470 2.706 2.513 2.940 . 0 0 "[ . 1 . 2]" 1
157 1 14 PRO HB3 1 27 ASN H . . 4.520 3.549 3.346 3.813 . 0 0 "[ . 1 . 2]" 1
158 1 14 PRO HB3 1 28 TRP HA . . 4.680 2.957 2.193 3.290 . 0 0 "[ . 1 . 2]" 1
159 1 14 PRO HB3 1 28 TRP HB2 . . 4.550 3.514 3.215 3.843 . 0 0 "[ . 1 . 2]" 1
160 1 14 PRO HB3 1 28 TRP HB3 . . 3.980 2.051 1.998 2.277 . 0 0 "[ . 1 . 2]" 1
161 1 14 PRO HB3 1 28 TRP HE3 . . 4.180 3.024 2.851 3.410 . 0 0 "[ . 1 . 2]" 1
162 1 14 PRO HB3 1 43 LEU MD1 . . 4.620 4.170 3.683 4.547 . 0 0 "[ . 1 . 2]" 1
163 1 14 PRO HB3 1 78 VAL MG1 . . 3.970 3.133 2.945 3.287 . 0 0 "[ . 1 . 2]" 1
164 1 14 PRO HD2 1 77 ARG HA . . 4.490 4.028 3.589 4.364 . 0 0 "[ . 1 . 2]" 1
165 1 14 PRO HD2 1 78 VAL H . . 4.660 4.145 3.837 4.427 . 0 0 "[ . 1 . 2]" 1
166 1 14 PRO HD2 1 78 VAL MG1 . . 4.130 3.412 3.208 3.554 . 0 0 "[ . 1 . 2]" 1
167 1 14 PRO HD2 1 93 VAL HB . . 4.580 3.742 3.505 4.038 . 0 0 "[ . 1 . 2]" 1
168 1 14 PRO HD2 1 93 VAL MG1 . . 4.360 4.300 4.125 4.362 0.002 6 0 "[ . 1 . 2]" 1
169 1 14 PRO HD2 1 93 VAL MG2 . . 3.430 2.086 1.899 2.389 . 0 0 "[ . 1 . 2]" 1
170 1 14 PRO HD3 1 78 VAL H . . 4.320 3.437 2.986 3.828 . 0 0 "[ . 1 . 2]" 1
171 1 14 PRO HD3 1 78 VAL MG1 . . 3.720 1.987 1.919 2.129 . 0 0 "[ . 1 . 2]" 1
172 1 14 PRO HD3 1 90 SER HB2 . . 4.270 3.982 3.768 4.194 . 0 0 "[ . 1 . 2]" 1
173 1 14 PRO HD3 1 90 SER HB3 . . 4.680 4.206 3.939 4.455 . 0 0 "[ . 1 . 2]" 1
174 1 14 PRO HD3 1 93 VAL MG2 . . 3.890 3.595 3.374 3.828 . 0 0 "[ . 1 . 2]" 1
175 1 14 PRO HG2 1 16 VAL MG1 . . 4.260 3.611 3.447 3.812 . 0 0 "[ . 1 . 2]" 1
176 1 14 PRO HG2 1 26 VAL MG1 . . 4.540 2.820 2.601 3.168 . 0 0 "[ . 1 . 2]" 1
177 1 14 PRO HG2 1 43 LEU MD1 . . 5.170 4.121 3.880 4.400 . 0 0 "[ . 1 . 2]" 1
178 1 14 PRO HG2 1 77 ARG HA . . 5.250 4.827 4.367 5.202 . 0 0 "[ . 1 . 2]" 1
179 1 14 PRO HG2 1 78 VAL HB . . 5.320 5.010 4.802 5.196 . 0 0 "[ . 1 . 2]" 1
180 1 14 PRO HG2 1 78 VAL MG1 . . 4.220 4.107 3.920 4.226 0.006 2 0 "[ . 1 . 2]" 1
181 1 14 PRO HG2 1 93 VAL MG1 . . 4.890 3.937 3.649 4.132 . 0 0 "[ . 1 . 2]" 1
182 1 14 PRO HG2 1 93 VAL MG2 . . 4.020 2.876 2.546 3.250 . 0 0 "[ . 1 . 2]" 1
183 1 14 PRO HG3 1 16 VAL MG1 . . 5.030 4.825 4.704 4.957 . 0 0 "[ . 1 . 2]" 1
184 1 14 PRO HG3 1 26 VAL MG1 . . 3.960 2.806 2.672 3.134 . 0 0 "[ . 1 . 2]" 1
185 1 14 PRO HG3 1 43 LEU MD1 . . 3.910 3.076 2.824 3.379 . 0 0 "[ . 1 . 2]" 1
186 1 14 PRO HG3 1 76 CYS QB . . 4.950 4.218 3.921 4.692 . 0 0 "[ . 1 . 2]" 1
187 1 14 PRO HG3 1 77 ARG HA . . 4.630 4.208 3.718 4.633 0.003 10 0 "[ . 1 . 2]" 1
188 1 14 PRO HG3 1 78 VAL H . . 4.430 3.939 3.544 4.210 . 0 0 "[ . 1 . 2]" 1
189 1 14 PRO HG3 1 78 VAL HB . . 4.050 3.253 3.061 3.434 . 0 0 "[ . 1 . 2]" 1
190 1 14 PRO HG3 1 78 VAL MG1 . . 3.390 2.826 2.535 3.018 . 0 0 "[ . 1 . 2]" 1
191 1 14 PRO HG3 1 78 VAL MG2 . . 4.640 4.563 4.370 4.654 0.014 2 0 "[ . 1 . 2]" 1
192 1 14 PRO HG3 1 93 VAL HB . . 5.210 4.857 4.590 5.078 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLN H 1 15 GLN HB2 . . 3.630 2.818 2.540 3.077 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLN H 1 15 GLN QB . . 3.110 2.373 2.320 2.432 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLN H 1 15 GLN HB3 . . 3.630 2.609 2.428 2.861 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLN H 1 15 GLN QG . . 4.040 4.022 3.946 4.049 0.009 19 0 "[ . 1 . 2]" 1
197 1 15 GLN H 1 16 VAL HA . . 5.500 4.982 4.878 5.053 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLN H 1 16 VAL MG1 . . 5.040 4.831 4.574 5.009 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLN H 1 26 VAL HA . . 5.500 4.452 4.043 4.943 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLN H 1 26 VAL MG1 . . 4.440 3.650 3.289 3.999 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLN H 1 27 ASN H . . 3.790 2.659 2.306 3.066 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLN H 1 28 TRP HA . . 4.040 3.904 3.624 4.044 0.004 14 0 "[ . 1 . 2]" 1
203 1 15 GLN HA 1 15 GLN QG . . 3.730 2.557 2.149 3.054 . 0 0 "[ . 1 . 2]" 1
204 1 15 GLN HA 1 16 VAL H . . 2.590 2.142 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
205 1 15 GLN HA 1 16 VAL MG1 . . 4.400 4.096 3.714 4.296 . 0 0 "[ . 1 . 2]" 1
206 1 15 GLN HA 1 93 VAL MG1 . . 4.580 3.795 3.408 4.123 . 0 0 "[ . 1 . 2]" 1
207 1 15 GLN QB 1 16 VAL H . . 3.850 3.852 3.837 3.863 0.013 7 0 "[ . 1 . 2]" 1
208 1 15 GLN QB 1 27 ASN H . . 4.160 3.896 3.648 4.160 . 0 0 "[ . 1 . 2]" 1
209 1 15 GLN QB 1 27 ASN HB2 . . 3.880 2.683 2.338 3.048 . 0 0 "[ . 1 . 2]" 1
210 1 15 GLN QB 1 27 ASN HB3 . . 4.250 4.018 3.728 4.217 . 0 0 "[ . 1 . 2]" 1
211 1 15 GLN HB2 1 27 ASN HB2 . . 4.590 4.077 3.719 4.309 . 0 0 "[ . 1 . 2]" 1
212 1 15 GLN HB3 1 27 ASN HB2 . . 4.590 2.727 2.357 3.133 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLN HG2 1 16 VAL H . . 4.770 3.930 3.058 4.771 0.001 17 0 "[ . 1 . 2]" 1
214 1 15 GLN HG3 1 16 VAL H . . 4.770 3.503 3.057 4.120 . 0 0 "[ . 1 . 2]" 1
215 1 16 VAL H 1 16 VAL HB . . 3.750 3.611 3.570 3.685 . 0 0 "[ . 1 . 2]" 1
216 1 16 VAL H 1 16 VAL MG1 . . 3.330 2.748 2.476 2.981 . 0 0 "[ . 1 . 2]" 1
217 1 16 VAL H 1 16 VAL MG2 . . 4.000 1.928 1.844 2.052 . 0 0 "[ . 1 . 2]" 1
218 1 16 VAL H 1 17 THR H . . 4.710 4.541 4.449 4.589 . 0 0 "[ . 1 . 2]" 1
219 1 16 VAL HA 1 16 VAL MG1 . . 3.470 2.192 2.078 2.365 . 0 0 "[ . 1 . 2]" 1
220 1 16 VAL HA 1 17 THR H . . 2.720 2.192 2.140 2.242 . 0 0 "[ . 1 . 2]" 1
221 1 16 VAL HA 1 17 THR HB . . 4.620 4.526 4.464 4.597 . 0 0 "[ . 1 . 2]" 1
222 1 16 VAL HB 1 17 THR H . . 4.330 3.062 2.831 3.473 . 0 0 "[ . 1 . 2]" 1
223 1 16 VAL HB 1 26 VAL MG2 . . 4.730 4.267 3.840 4.633 . 0 0 "[ . 1 . 2]" 1
224 1 16 VAL HB 1 95 CYS HB2 . . 4.110 3.744 3.340 4.019 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL HB 1 95 CYS HB3 . . 4.110 3.637 3.305 3.985 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL MG1 1 17 THR H . . 4.060 3.676 3.449 3.970 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL MG1 1 26 VAL HB . . 4.680 4.661 4.592 4.684 0.004 18 0 "[ . 1 . 2]" 1
228 1 16 VAL MG1 1 26 VAL MG1 . . 3.360 2.639 2.430 2.910 . 0 0 "[ . 1 . 2]" 1
229 1 16 VAL MG1 1 27 ASN H . . 4.830 4.275 4.045 4.465 . 0 0 "[ . 1 . 2]" 1
230 1 16 VAL MG1 1 45 TRP HH2 . . 4.500 3.326 2.678 4.302 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL MG1 1 45 TRP HZ3 . . 3.940 2.608 2.249 3.122 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL MG1 1 76 CYS QB . . 4.650 3.587 2.990 4.154 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL MG1 1 95 CYS H . . 5.500 5.270 5.043 5.449 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL MG1 1 95 CYS HB2 . . 4.270 3.989 3.697 4.239 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL MG1 1 95 CYS QB . . 3.700 3.011 2.733 3.220 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL MG1 1 95 CYS HB3 . . 4.270 3.118 2.816 3.355 . 0 0 "[ . 1 . 2]" 1
237 1 16 VAL MG2 1 17 THR H . . 4.240 4.022 3.855 4.215 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL MG2 1 26 VAL MG1 . . 5.070 4.652 4.467 4.833 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL MG2 1 95 CYS HB2 . . 3.760 2.692 2.221 3.140 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL MG2 1 95 CYS HB3 . . 3.760 2.082 1.966 2.521 . 0 0 "[ . 1 . 2]" 1
241 1 17 THR H 1 17 THR HB . . 3.440 2.718 2.569 2.864 . 0 0 "[ . 1 . 2]" 1
242 1 17 THR H 1 17 THR MG . . 4.510 3.876 3.822 3.947 . 0 0 "[ . 1 . 2]" 1
243 1 17 THR H 1 25 GLN H . . 3.760 2.686 2.422 2.917 . 0 0 "[ . 1 . 2]" 1
244 1 17 THR H 1 25 GLN HB3 . . 4.700 3.396 3.155 3.692 . 0 0 "[ . 1 . 2]" 1
245 1 17 THR HB 1 25 GLN H . . 4.490 3.610 3.296 4.086 . 0 0 "[ . 1 . 2]" 1
246 1 17 THR HB 1 25 GLN HB2 . . 4.590 3.884 3.320 4.420 . 0 0 "[ . 1 . 2]" 1
247 1 17 THR HB 1 25 GLN HB3 . . 3.660 2.399 2.128 2.765 . 0 0 "[ . 1 . 2]" 1
248 1 17 THR HB 1 25 GLN QG . . 4.780 4.031 3.198 4.724 . 0 0 "[ . 1 . 2]" 1
249 1 17 THR MG 1 19 ARG HA . . 4.590 3.420 3.036 3.955 . 0 0 "[ . 1 . 2]" 1
250 1 17 THR MG 1 19 ARG QD . . 4.350 3.409 2.248 4.332 . 0 0 "[ . 1 . 2]" 1
251 1 17 THR MG 1 19 ARG HG2 . . 4.710 2.997 2.584 3.284 . 0 0 "[ . 1 . 2]" 1
252 1 17 THR MG 1 19 ARG HG3 . . 4.710 4.319 3.129 4.701 . 0 0 "[ . 1 . 2]" 1
253 1 17 THR MG 1 25 GLN HB2 . . 4.990 4.445 4.068 4.888 . 0 0 "[ . 1 . 2]" 1
254 1 17 THR MG 1 25 GLN HB3 . . 4.550 3.637 3.400 3.887 . 0 0 "[ . 1 . 2]" 1
255 1 18 CYS HA 1 20 SER H . . 4.130 3.574 3.381 3.877 . 0 0 "[ . 1 . 2]" 1
256 1 18 CYS HA 1 25 GLN H . . 3.860 3.691 3.480 3.864 0.004 15 0 "[ . 1 . 2]" 1
257 1 18 CYS QB 1 20 SER H . . 3.840 3.618 3.279 3.842 0.002 9 0 "[ . 1 . 2]" 1
258 1 18 CYS QB 1 24 ALA MB . . 4.180 3.897 3.450 4.109 . 0 0 "[ . 1 . 2]" 1
259 1 18 CYS QB 1 97 THR MG . . 4.430 3.462 3.028 3.963 . 0 0 "[ . 1 . 2]" 1
260 1 18 CYS QB 1 98 PRO QG . . 4.270 3.495 3.197 3.875 . 0 0 "[ . 1 . 2]" 1
261 1 18 CYS HB2 1 24 ALA MB . . 4.770 4.567 4.136 4.743 . 0 0 "[ . 1 . 2]" 1
262 1 18 CYS HB2 1 97 THR MG . . 5.100 3.927 3.376 5.045 . 0 0 "[ . 1 . 2]" 1
263 1 18 CYS HB2 1 98 PRO QD . . 3.970 2.799 2.266 3.792 . 0 0 "[ . 1 . 2]" 1
264 1 18 CYS HB3 1 24 ALA MB . . 4.770 4.232 3.694 4.549 . 0 0 "[ . 1 . 2]" 1
265 1 18 CYS HB3 1 97 THR MG . . 5.100 3.887 3.423 4.388 . 0 0 "[ . 1 . 2]" 1
266 1 18 CYS HB3 1 98 PRO QD . . 3.970 3.358 2.575 3.691 . 0 0 "[ . 1 . 2]" 1
267 1 19 ARG H 1 20 SER H . . 3.350 2.576 2.132 2.885 . 0 0 "[ . 1 . 2]" 1
268 1 19 ARG H 1 24 ALA HA . . 4.350 2.174 1.921 2.582 . 0 0 "[ . 1 . 2]" 1
269 1 19 ARG H 1 25 GLN H . . 4.670 3.559 3.071 4.107 . 0 0 "[ . 1 . 2]" 1
270 1 19 ARG HA 1 19 ARG QD . . 3.840 2.773 1.981 3.956 0.116 16 0 "[ . 1 . 2]" 1
271 1 19 ARG HA 1 19 ARG HG2 . . 4.090 2.637 2.173 3.025 . 0 0 "[ . 1 . 2]" 1
272 1 19 ARG HA 1 19 ARG QG . . 3.400 2.579 2.140 2.911 . 0 0 "[ . 1 . 2]" 1
273 1 19 ARG HA 1 19 ARG HG3 . . 4.090 3.663 3.213 3.793 . 0 0 "[ . 1 . 2]" 1
274 1 19 ARG QB 1 19 ARG QD . . 3.240 2.292 2.018 2.645 . 0 0 "[ . 1 . 2]" 1
275 1 19 ARG QB 1 20 SER H . . 3.640 2.713 2.539 2.985 . 0 0 "[ . 1 . 2]" 1
276 1 19 ARG QB 1 23 CYS HB2 . . 3.760 2.323 2.099 2.674 . 0 0 "[ . 1 . 2]" 1
277 1 19 ARG QB 1 23 CYS HB3 . . 3.860 2.371 2.017 2.711 . 0 0 "[ . 1 . 2]" 1
278 1 19 ARG QB 1 25 GLN H . . 5.340 4.658 3.974 5.289 . 0 0 "[ . 1 . 2]" 1
279 1 19 ARG HB2 1 20 SER H . . 4.370 2.804 2.623 3.087 . 0 0 "[ . 1 . 2]" 1
280 1 19 ARG HB3 1 20 SER H . . 4.370 3.635 3.391 3.964 . 0 0 "[ . 1 . 2]" 1
281 1 19 ARG QD 1 25 GLN HB3 . . 4.490 4.153 2.868 4.491 0.001 7 0 "[ . 1 . 2]" 1
282 1 19 ARG QG 1 25 GLN QG . . 4.760 4.187 3.434 4.636 . 0 0 "[ . 1 . 2]" 1
283 1 19 ARG HG2 1 25 GLN H . . 5.040 3.867 3.073 4.965 . 0 0 "[ . 1 . 2]" 1
284 1 19 ARG HG3 1 25 GLN H . . 5.040 4.331 3.370 4.901 . 0 0 "[ . 1 . 2]" 1
285 1 20 SER H 1 20 SER QB . . 3.700 2.864 2.731 3.064 . 0 0 "[ . 1 . 2]" 1
286 1 20 SER H 1 22 THR H . . 4.950 4.607 4.333 4.791 . 0 0 "[ . 1 . 2]" 1
287 1 20 SER H 1 23 CYS H . . 3.760 3.031 2.863 3.207 . 0 0 "[ . 1 . 2]" 1
288 1 20 SER H 1 23 CYS HB2 . . 4.300 2.299 2.023 2.651 . 0 0 "[ . 1 . 2]" 1
289 1 20 SER H 1 23 CYS HB3 . . 4.770 3.730 3.410 4.024 . 0 0 "[ . 1 . 2]" 1
290 1 20 SER H 1 24 ALA HA . . 4.760 3.914 3.717 4.130 . 0 0 "[ . 1 . 2]" 1
291 1 20 SER HA 1 21 ALA H . . 3.230 2.581 2.421 2.651 . 0 0 "[ . 1 . 2]" 1
292 1 20 SER HA 1 21 ALA MB . . 4.790 4.270 4.200 4.355 . 0 0 "[ . 1 . 2]" 1
293 1 20 SER QB 1 21 ALA H . . 3.380 2.491 1.948 3.125 . 0 0 "[ . 1 . 2]" 1
294 1 20 SER QB 1 22 THR H . . 4.020 2.607 2.459 2.812 . 0 0 "[ . 1 . 2]" 1
295 1 20 SER HB2 1 21 ALA H . . 4.000 3.602 2.973 3.934 . 0 0 "[ . 1 . 2]" 1
296 1 20 SER HB2 1 22 THR H . . 4.600 3.849 2.653 4.519 . 0 0 "[ . 1 . 2]" 1
297 1 20 SER HB2 1 23 CYS H . . 4.660 3.805 2.589 4.469 . 0 0 "[ . 1 . 2]" 1
298 1 20 SER HB3 1 21 ALA H . . 4.000 2.559 1.958 3.284 . 0 0 "[ . 1 . 2]" 1
299 1 20 SER HB3 1 22 THR H . . 4.600 2.726 2.476 3.393 . 0 0 "[ . 1 . 2]" 1
300 1 20 SER HB3 1 23 CYS H . . 4.660 3.328 2.496 4.281 . 0 0 "[ . 1 . 2]" 1
301 1 21 ALA H 1 21 ALA MB . . 3.100 2.135 2.024 2.236 . 0 0 "[ . 1 . 2]" 1
302 1 21 ALA H 1 22 THR H . . 3.580 2.752 2.571 2.933 . 0 0 "[ . 1 . 2]" 1
303 1 21 ALA H 1 23 CYS H . . 4.700 4.057 3.824 4.211 . 0 0 "[ . 1 . 2]" 1
304 1 21 ALA H 1 98 PRO HG2 . . 4.720 3.672 3.373 3.901 . 0 0 "[ . 1 . 2]" 1
305 1 21 ALA H 1 98 PRO HG3 . . 4.720 4.631 4.376 4.726 0.006 15 0 "[ . 1 . 2]" 1
306 1 21 ALA HA 1 23 CYS H . . 5.320 4.137 4.069 4.204 . 0 0 "[ . 1 . 2]" 1
307 1 21 ALA HA 1 97 THR MG . . 4.270 4.048 3.760 4.267 . 0 0 "[ . 1 . 2]" 1
308 1 21 ALA HA 1 98 PRO HB2 . . 4.320 4.199 4.069 4.322 0.002 1 0 "[ . 1 . 2]" 1
309 1 21 ALA HA 1 98 PRO HB3 . . 5.140 5.005 4.817 5.124 . 0 0 "[ . 1 . 2]" 1
310 1 21 ALA HA 1 98 PRO QD . . 3.260 2.535 2.025 2.799 . 0 0 "[ . 1 . 2]" 1
311 1 21 ALA HA 1 98 PRO HG2 . . 3.940 2.118 2.000 2.256 . 0 0 "[ . 1 . 2]" 1
312 1 21 ALA HA 1 98 PRO QG . . 3.410 2.104 1.989 2.238 . 0 0 "[ . 1 . 2]" 1
313 1 21 ALA HA 1 98 PRO HG3 . . 3.940 3.619 3.396 3.753 . 0 0 "[ . 1 . 2]" 1
314 1 21 ALA HA 1 100 SER HB2 . . 5.500 4.743 4.259 5.430 . 0 0 "[ . 1 . 2]" 1
315 1 21 ALA MB 1 22 THR H . . 3.690 2.696 2.436 2.936 . 0 0 "[ . 1 . 2]" 1
316 1 21 ALA MB 1 22 THR HA . . 4.520 4.044 3.973 4.082 . 0 0 "[ . 1 . 2]" 1
317 1 21 ALA MB 1 22 THR HB . . 5.500 4.924 4.847 4.994 . 0 0 "[ . 1 . 2]" 1
318 1 21 ALA MB 1 22 THR MG . . 3.320 2.594 2.340 2.788 . 0 0 "[ . 1 . 2]" 1
319 1 21 ALA MB 1 23 CYS H . . 4.440 4.407 4.300 4.442 0.002 11 0 "[ . 1 . 2]" 1
320 1 21 ALA MB 1 70 PRO HB2 . . 3.900 3.530 3.289 3.704 . 0 0 "[ . 1 . 2]" 1
321 1 21 ALA MB 1 70 PRO QB . . 3.260 2.073 1.940 2.235 . 0 0 "[ . 1 . 2]" 1
322 1 21 ALA MB 1 70 PRO HB3 . . 3.900 2.088 1.951 2.256 . 0 0 "[ . 1 . 2]" 1
323 1 21 ALA MB 1 70 PRO QD . . 4.110 3.398 3.122 3.563 . 0 0 "[ . 1 . 2]" 1
324 1 21 ALA MB 1 70 PRO HG2 . . 4.660 4.536 4.313 4.635 . 0 0 "[ . 1 . 2]" 1
325 1 21 ALA MB 1 70 PRO HG3 . . 3.500 3.425 3.173 3.501 0.001 3 0 "[ . 1 . 2]" 1
326 1 21 ALA MB 1 71 ALA H . . 4.850 4.625 4.220 4.853 0.003 16 0 "[ . 1 . 2]" 1
327 1 21 ALA MB 1 98 PRO HB2 . . 4.320 4.036 3.751 4.303 . 0 0 "[ . 1 . 2]" 1
328 1 21 ALA MB 1 98 PRO QD . . 4.440 3.968 3.502 4.219 . 0 0 "[ . 1 . 2]" 1
329 1 21 ALA MB 1 98 PRO HG2 . . 4.650 2.981 2.608 3.210 . 0 0 "[ . 1 . 2]" 1
330 1 21 ALA MB 1 98 PRO QG . . 3.970 2.935 2.577 3.152 . 0 0 "[ . 1 . 2]" 1
331 1 21 ALA MB 1 98 PRO HG3 . . 4.650 4.401 4.027 4.611 . 0 0 "[ . 1 . 2]" 1
332 1 21 ALA MB 1 99 PRO HA . . 5.150 4.465 4.183 4.833 . 0 0 "[ . 1 . 2]" 1
333 1 21 ALA MB 1 100 SER H . . 4.230 3.898 3.648 4.226 . 0 0 "[ . 1 . 2]" 1
334 1 21 ALA MB 1 100 SER HA . . 3.520 3.415 3.193 3.522 0.002 3 0 "[ . 1 . 2]" 1
335 1 21 ALA MB 1 100 SER HB2 . . 3.960 2.306 1.874 2.898 . 0 0 "[ . 1 . 2]" 1
336 1 21 ALA MB 1 100 SER HB3 . . 4.110 3.520 2.361 3.981 . 0 0 "[ . 1 . 2]" 1
337 1 22 THR H 1 22 THR HB . . 4.170 3.802 3.770 3.853 . 0 0 "[ . 1 . 2]" 1
338 1 22 THR H 1 22 THR MG . . 3.490 2.738 2.331 2.928 . 0 0 "[ . 1 . 2]" 1
339 1 22 THR H 1 23 CYS H . . 2.720 2.488 2.130 2.719 . 0 0 "[ . 1 . 2]" 1
340 1 22 THR HA 1 22 THR MG . . 3.470 2.370 2.245 2.597 . 0 0 "[ . 1 . 2]" 1
341 1 22 THR HA 1 68 LEU H . . 4.680 3.057 2.828 3.221 . 0 0 "[ . 1 . 2]" 1
342 1 22 THR HA 1 68 LEU HB2 . . 4.100 2.321 2.126 2.508 . 0 0 "[ . 1 . 2]" 1
343 1 22 THR HA 1 68 LEU HB3 . . 4.000 3.872 3.628 4.002 0.002 6 0 "[ . 1 . 2]" 1
344 1 22 THR HA 1 68 LEU MD1 . . 4.330 3.771 3.442 3.975 . 0 0 "[ . 1 . 2]" 1
345 1 22 THR HA 1 69 SER H . . 4.910 4.254 4.004 4.442 . 0 0 "[ . 1 . 2]" 1
346 1 22 THR HA 1 97 THR MG . . 4.580 3.867 3.623 4.087 . 0 0 "[ . 1 . 2]" 1
347 1 22 THR HB 1 67 GLY H . . 3.910 3.509 3.096 3.664 . 0 0 "[ . 1 . 2]" 1
348 1 22 THR HB 1 68 LEU H . . 3.290 2.466 1.973 2.861 . 0 0 "[ . 1 . 2]" 1
349 1 22 THR HB 1 68 LEU HB3 . . 5.500 5.134 4.701 5.421 . 0 0 "[ . 1 . 2]" 1
350 1 22 THR MG 1 23 CYS H . . 4.670 4.266 4.098 4.344 . 0 0 "[ . 1 . 2]" 1
351 1 22 THR MG 1 67 GLY H . . 5.050 4.949 4.640 5.051 0.001 17 0 "[ . 1 . 2]" 1
352 1 22 THR MG 1 68 LEU H . . 4.460 3.922 3.587 4.352 . 0 0 "[ . 1 . 2]" 1
353 1 22 THR MG 1 69 SER HA . . 4.500 2.799 2.450 3.204 . 0 0 "[ . 1 . 2]" 1
354 1 22 THR MG 1 70 PRO QB . . 4.800 3.699 3.466 3.949 . 0 0 "[ . 1 . 2]" 1
355 1 22 THR MG 1 70 PRO HD2 . . 4.360 3.623 3.378 3.929 . 0 0 "[ . 1 . 2]" 1
356 1 22 THR MG 1 70 PRO QD . . 3.580 2.245 2.040 2.488 . 0 0 "[ . 1 . 2]" 1
357 1 22 THR MG 1 70 PRO HD3 . . 4.360 2.268 2.056 2.516 . 0 0 "[ . 1 . 2]" 1
358 1 22 THR MG 1 70 PRO HG2 . . 5.010 4.743 4.529 5.012 0.002 14 0 "[ . 1 . 2]" 1
359 1 22 THR MG 1 70 PRO HG3 . . 3.960 3.766 3.604 3.961 0.001 13 0 "[ . 1 . 2]" 1
360 1 23 CYS H 1 23 CYS HB2 . . 3.470 2.814 2.677 2.951 . 0 0 "[ . 1 . 2]" 1
361 1 23 CYS H 1 23 CYS HB3 . . 4.030 3.867 3.793 3.915 . 0 0 "[ . 1 . 2]" 1
362 1 23 CYS H 1 24 ALA H . . 4.660 4.385 4.321 4.465 . 0 0 "[ . 1 . 2]" 1
363 1 23 CYS H 1 24 ALA MB . . 5.250 4.369 4.247 4.519 . 0 0 "[ . 1 . 2]" 1
364 1 23 CYS H 1 68 LEU MD1 . . 4.210 3.674 3.410 3.952 . 0 0 "[ . 1 . 2]" 1
365 1 23 CYS H 1 97 THR MG . . 4.520 3.876 3.664 4.297 . 0 0 "[ . 1 . 2]" 1
366 1 23 CYS HA 1 24 ALA H . . 2.760 2.245 2.190 2.333 . 0 0 "[ . 1 . 2]" 1
367 1 23 CYS HA 1 24 ALA MB . . 4.140 3.852 3.758 3.913 . 0 0 "[ . 1 . 2]" 1
368 1 23 CYS HA 1 66 LYS H . . 5.100 5.078 4.885 5.103 0.003 3 0 "[ . 1 . 2]" 1
369 1 23 CYS HA 1 66 LYS HA . . 3.670 2.333 2.108 2.449 . 0 0 "[ . 1 . 2]" 1
370 1 23 CYS HA 1 66 LYS HG2 . . 4.650 2.831 2.423 3.099 . 0 0 "[ . 1 . 2]" 1
371 1 23 CYS HA 1 68 LEU H . . 4.360 4.028 3.763 4.194 . 0 0 "[ . 1 . 2]" 1
372 1 23 CYS HA 1 68 LEU HB2 . . 4.640 4.383 4.234 4.599 . 0 0 "[ . 1 . 2]" 1
373 1 23 CYS HA 1 68 LEU MD1 . . 3.980 3.053 2.837 3.238 . 0 0 "[ . 1 . 2]" 1
374 1 23 CYS HA 1 68 LEU MD2 . . 5.330 5.068 4.935 5.208 . 0 0 "[ . 1 . 2]" 1
375 1 23 CYS HB2 1 24 ALA H . . 4.260 3.867 3.590 4.006 . 0 0 "[ . 1 . 2]" 1
376 1 23 CYS HB2 1 24 ALA MB . . 5.090 4.995 4.922 5.060 . 0 0 "[ . 1 . 2]" 1
377 1 23 CYS HB2 1 66 LYS HA . . 5.250 5.196 4.890 5.252 0.002 1 0 "[ . 1 . 2]" 1
378 1 23 CYS HB2 1 66 LYS HG2 . . 4.730 4.408 3.939 4.620 . 0 0 "[ . 1 . 2]" 1
379 1 23 CYS HB3 1 24 ALA H . . 4.000 2.883 2.653 3.074 . 0 0 "[ . 1 . 2]" 1
380 1 23 CYS HB3 1 24 ALA MB . . 4.980 4.828 4.738 4.946 . 0 0 "[ . 1 . 2]" 1
381 1 23 CYS HB3 1 66 LYS HA . . 4.320 4.117 3.696 4.257 . 0 0 "[ . 1 . 2]" 1
382 1 23 CYS HB3 1 66 LYS HB3 . . 5.500 5.057 4.478 5.454 . 0 0 "[ . 1 . 2]" 1
383 1 23 CYS HB3 1 66 LYS HG2 . . 4.370 2.889 2.309 3.167 . 0 0 "[ . 1 . 2]" 1
384 1 23 CYS HB3 1 68 LEU MD1 . . 5.000 4.881 4.710 5.002 0.002 3 0 "[ . 1 . 2]" 1
385 1 24 ALA H 1 24 ALA MB . . 3.280 2.736 2.627 2.786 . 0 0 "[ . 1 . 2]" 1
386 1 24 ALA H 1 25 GLN H . . 4.710 4.309 4.059 4.392 . 0 0 "[ . 1 . 2]" 1
387 1 24 ALA H 1 65 ILE MG . . 4.080 3.724 3.401 4.051 . 0 0 "[ . 1 . 2]" 1
388 1 24 ALA H 1 66 LYS H . . 5.380 4.909 4.708 5.060 . 0 0 "[ . 1 . 2]" 1
389 1 24 ALA H 1 66 LYS HA . . 3.950 3.222 3.000 3.452 . 0 0 "[ . 1 . 2]" 1
390 1 24 ALA H 1 68 LEU MD1 . . 3.660 3.013 2.732 3.264 . 0 0 "[ . 1 . 2]" 1
391 1 24 ALA HA 1 25 GLN H . . 2.810 2.292 2.145 2.391 . 0 0 "[ . 1 . 2]" 1
392 1 24 ALA HA 1 25 GLN HB3 . . 5.370 4.609 4.359 4.969 . 0 0 "[ . 1 . 2]" 1
393 1 24 ALA HA 1 97 THR MG . . 5.270 4.932 4.658 5.266 . 0 0 "[ . 1 . 2]" 1
394 1 24 ALA MB 1 25 GLN H . . 3.240 2.704 2.398 3.174 . 0 0 "[ . 1 . 2]" 1
395 1 24 ALA MB 1 25 GLN HB2 . . 5.100 4.907 4.715 5.100 . 16 0 "[ . 1 . 2]" 1
396 1 24 ALA MB 1 45 TRP HH2 . . 3.350 2.575 2.064 2.888 . 0 0 "[ . 1 . 2]" 1
397 1 24 ALA MB 1 45 TRP HZ2 . . 4.060 3.405 2.965 3.710 . 0 0 "[ . 1 . 2]" 1
398 1 24 ALA MB 1 45 TRP HZ3 . . 4.000 3.748 3.334 3.999 . 0 0 "[ . 1 . 2]" 1
399 1 24 ALA MB 1 65 ILE HB . . 3.920 2.745 2.422 3.227 . 0 0 "[ . 1 . 2]" 1
400 1 24 ALA MB 1 65 ILE MD . . 4.450 3.558 3.156 3.866 . 0 0 "[ . 1 . 2]" 1
401 1 24 ALA MB 1 65 ILE MG . . 3.330 2.940 2.687 3.243 . 0 0 "[ . 1 . 2]" 1
402 1 24 ALA MB 1 68 LEU HB2 . . 4.520 4.343 4.152 4.518 . 0 0 "[ . 1 . 2]" 1
403 1 24 ALA MB 1 68 LEU MD1 . . 3.100 1.885 1.749 2.021 . 0 0 "[ . 1 . 2]" 1
404 1 24 ALA MB 1 68 LEU MD2 . . 4.430 3.676 3.407 3.957 . 0 0 "[ . 1 . 2]" 1
405 1 24 ALA MB 1 97 THR MG . . 3.850 3.276 3.010 3.488 . 0 0 "[ . 1 . 2]" 1
406 1 25 GLN H 1 25 GLN HB2 . . 3.580 3.083 2.525 3.363 . 0 0 "[ . 1 . 2]" 1
407 1 25 GLN H 1 25 GLN HB3 . . 3.370 2.780 2.581 2.991 . 0 0 "[ . 1 . 2]" 1
408 1 25 GLN HA 1 25 GLN QG . . 3.740 2.510 2.232 2.837 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLN HA 1 26 VAL H . . 2.860 2.216 2.163 2.272 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLN HA 1 63 TYR H . . 5.450 5.291 4.994 5.453 0.003 15 0 "[ . 1 . 2]" 1
411 1 25 GLN HB2 1 26 VAL H . . 4.230 4.119 3.945 4.202 . 0 0 "[ . 1 . 2]" 1
412 1 25 GLN HB3 1 26 VAL HA . . 5.500 4.698 4.376 4.966 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLN HB3 1 27 ASN QD . . 4.870 4.304 3.479 4.869 . 0 0 "[ . 1 . 2]" 1
414 1 25 GLN QE 1 62 SER QB . . 4.090 2.935 2.122 3.678 . 0 0 "[ . 1 . 2]" 1
415 1 25 GLN QE 1 63 TYR H . . 4.660 3.767 2.547 4.637 . 0 0 "[ . 1 . 2]" 1
416 1 25 GLN QE 1 64 GLU QB . . 4.880 3.550 1.893 4.870 . 0 0 "[ . 1 . 2]" 1
417 1 25 GLN QG 1 26 VAL H . . 3.710 2.445 2.159 3.117 . 0 0 "[ . 1 . 2]" 1
418 1 25 GLN QG 1 27 ASN QD . . 4.410 2.821 1.953 4.077 . 0 0 "[ . 1 . 2]" 1
419 1 25 GLN HG2 1 26 VAL H . . 4.230 3.064 2.211 4.156 . 0 0 "[ . 1 . 2]" 1
420 1 25 GLN HG2 1 64 GLU QB . . 5.500 4.425 1.989 5.210 . 0 0 "[ . 1 . 2]" 1
421 1 25 GLN HG3 1 26 VAL H . . 4.230 2.995 2.170 4.140 . 0 0 "[ . 1 . 2]" 1
422 1 25 GLN HG3 1 64 GLU QB . . 5.500 3.683 2.587 5.206 . 0 0 "[ . 1 . 2]" 1
423 1 26 VAL H 1 26 VAL HB . . 3.390 2.795 2.689 2.909 . 0 0 "[ . 1 . 2]" 1
424 1 26 VAL H 1 26 VAL MG1 . . 4.130 3.904 3.847 3.944 . 0 0 "[ . 1 . 2]" 1
425 1 26 VAL H 1 26 VAL MG2 . . 3.370 2.474 2.314 2.756 . 0 0 "[ . 1 . 2]" 1
426 1 26 VAL H 1 63 TYR H . . 3.610 3.513 3.208 3.611 0.001 3 0 "[ . 1 . 2]" 1
427 1 26 VAL H 1 64 GLU HA . . 3.970 3.206 2.805 3.507 . 0 0 "[ . 1 . 2]" 1
428 1 26 VAL H 1 64 GLU QB . . 5.170 4.858 4.264 5.169 . 0 0 "[ . 1 . 2]" 1
429 1 26 VAL H 1 65 ILE H . . 5.070 4.024 3.564 4.316 . 0 0 "[ . 1 . 2]" 1
430 1 26 VAL HA 1 26 VAL MG1 . . 3.270 2.271 2.179 2.357 . 0 0 "[ . 1 . 2]" 1
431 1 26 VAL HA 1 26 VAL MG2 . . 3.500 2.512 2.367 2.609 . 0 0 "[ . 1 . 2]" 1
432 1 26 VAL HA 1 27 ASN H . . 2.790 2.287 2.228 2.337 . 0 0 "[ . 1 . 2]" 1
433 1 26 VAL HB 1 27 ASN H . . 4.840 3.641 3.456 3.787 . 0 0 "[ . 1 . 2]" 1
434 1 26 VAL HB 1 28 TRP HE3 . . 4.690 3.511 3.293 3.789 . 0 0 "[ . 1 . 2]" 1
435 1 26 VAL HB 1 28 TRP HZ3 . . 3.660 2.666 2.224 3.429 . 0 0 "[ . 1 . 2]" 1
436 1 26 VAL HB 1 43 LEU MD1 . . 4.900 3.794 3.384 4.466 . 0 0 "[ . 1 . 2]" 1
437 1 26 VAL HB 1 43 LEU MD2 . . 4.120 2.926 2.603 3.263 . 0 0 "[ . 1 . 2]" 1
438 1 26 VAL HB 1 63 TYR H . . 3.760 3.505 2.984 3.762 0.002 10 0 "[ . 1 . 2]" 1
439 1 26 VAL HB 1 65 ILE MD . . 4.670 3.963 3.705 4.262 . 0 0 "[ . 1 . 2]" 1
440 1 26 VAL MG1 1 27 ASN H . . 3.390 2.063 1.911 2.203 . 0 0 "[ . 1 . 2]" 1
441 1 26 VAL MG1 1 27 ASN HA . . 4.440 3.574 3.332 3.766 . 0 0 "[ . 1 . 2]" 1
442 1 26 VAL MG1 1 28 TRP HB3 . . 4.490 3.709 3.515 3.955 . 0 0 "[ . 1 . 2]" 1
443 1 26 VAL MG1 1 28 TRP HE3 . . 3.000 2.373 2.095 2.523 . 0 0 "[ . 1 . 2]" 1
444 1 26 VAL MG1 1 28 TRP HZ3 . . 3.470 3.217 2.833 3.472 0.002 18 0 "[ . 1 . 2]" 1
445 1 26 VAL MG1 1 43 LEU MD1 . . 3.120 2.378 1.994 2.923 . 0 0 "[ . 1 . 2]" 1
446 1 26 VAL MG1 1 43 LEU MD2 . . 3.460 2.820 2.425 3.245 . 0 0 "[ . 1 . 2]" 1
447 1 26 VAL MG1 1 63 TYR H . . 4.770 4.543 4.253 4.768 . 0 0 "[ . 1 . 2]" 1
448 1 26 VAL MG1 1 65 ILE MD . . 4.620 4.102 3.937 4.286 . 0 0 "[ . 1 . 2]" 1
449 1 26 VAL MG1 1 78 VAL MG2 . . 5.050 4.847 4.554 5.051 0.001 13 0 "[ . 1 . 2]" 1
450 1 26 VAL MG2 1 27 ASN H . . 4.090 4.005 3.894 4.092 0.002 6 0 "[ . 1 . 2]" 1
451 1 26 VAL MG2 1 28 TRP HE3 . . 4.790 4.693 4.555 4.792 0.002 20 0 "[ . 1 . 2]" 1
452 1 26 VAL MG2 1 28 TRP HZ3 . . 4.580 4.079 3.657 4.564 . 0 0 "[ . 1 . 2]" 1
453 1 26 VAL MG2 1 43 LEU MD1 . . 3.910 3.373 2.999 3.747 . 0 0 "[ . 1 . 2]" 1
454 1 26 VAL MG2 1 43 LEU MD2 . . 3.530 2.710 2.353 3.069 . 0 0 "[ . 1 . 2]" 1
455 1 26 VAL MG2 1 45 TRP HE3 . . 4.290 2.714 2.462 2.957 . 0 0 "[ . 1 . 2]" 1
456 1 26 VAL MG2 1 45 TRP HZ3 . . 3.500 2.165 1.881 2.692 . 0 0 "[ . 1 . 2]" 1
457 1 26 VAL MG2 1 63 TYR H . . 5.160 4.591 4.112 4.938 . 0 0 "[ . 1 . 2]" 1
458 1 26 VAL MG2 1 65 ILE H . . 4.450 3.946 3.602 4.299 . 0 0 "[ . 1 . 2]" 1
459 1 26 VAL MG2 1 65 ILE MD . . 3.210 2.150 1.979 2.340 . 0 0 "[ . 1 . 2]" 1
460 1 26 VAL MG2 1 65 ILE HG12 . . 4.700 4.506 4.241 4.671 . 0 0 "[ . 1 . 2]" 1
461 1 26 VAL MG2 1 65 ILE HG13 . . 4.350 3.471 3.135 3.775 . 0 0 "[ . 1 . 2]" 1
462 1 26 VAL MG2 1 65 ILE MG . . 4.610 4.415 4.214 4.608 . 0 0 "[ . 1 . 2]" 1
463 1 26 VAL MG2 1 76 CYS HB2 . . 4.800 3.582 3.156 3.963 . 0 0 "[ . 1 . 2]" 1
464 1 26 VAL MG2 1 76 CYS HB3 . . 4.800 3.700 3.414 3.968 . 0 0 "[ . 1 . 2]" 1
465 1 27 ASN H 1 27 ASN HB2 . . 3.600 2.851 2.683 3.029 . 0 0 "[ . 1 . 2]" 1
466 1 27 ASN H 1 27 ASN HB3 . . 3.960 3.864 3.748 3.964 0.004 15 0 "[ . 1 . 2]" 1
467 1 27 ASN H 1 28 TRP H . . 4.900 4.166 4.012 4.329 . 0 0 "[ . 1 . 2]" 1
468 1 27 ASN H 1 28 TRP HE3 . . 4.780 3.706 3.413 4.228 . 0 0 "[ . 1 . 2]" 1
469 1 27 ASN HA 1 27 ASN QD . . 4.410 3.172 2.285 3.919 . 0 0 "[ . 1 . 2]" 1
470 1 27 ASN HA 1 27 ASN HD22 . . 5.230 4.093 3.652 4.502 . 0 0 "[ . 1 . 2]" 1
471 1 27 ASN HA 1 28 TRP H . . 2.880 2.157 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
472 1 27 ASN HA 1 28 TRP HE3 . . 4.290 3.255 2.727 3.831 . 0 0 "[ . 1 . 2]" 1
473 1 27 ASN HA 1 62 SER HA . . 3.610 2.740 2.341 3.073 . 0 0 "[ . 1 . 2]" 1
474 1 27 ASN HA 1 62 SER HB2 . . 4.830 4.478 3.875 4.831 0.001 13 0 "[ . 1 . 2]" 1
475 1 27 ASN HA 1 62 SER QB . . 3.990 3.611 2.956 3.978 . 0 0 "[ . 1 . 2]" 1
476 1 27 ASN HA 1 62 SER HB3 . . 4.830 3.842 2.996 4.234 . 0 0 "[ . 1 . 2]" 1
477 1 27 ASN HA 1 63 TYR H . . 4.100 3.808 3.442 4.079 . 0 0 "[ . 1 . 2]" 1
478 1 27 ASN HB2 1 28 TRP H . . 4.630 4.233 3.975 4.466 . 0 0 "[ . 1 . 2]" 1
479 1 27 ASN HB3 1 28 TRP H . . 3.850 3.331 3.050 3.576 . 0 0 "[ . 1 . 2]" 1
480 1 27 ASN QD 1 62 SER QB . . 3.890 3.080 2.026 3.889 . 0 0 "[ . 1 . 2]" 1
481 1 28 TRP H 1 28 TRP HE3 . . 4.100 2.951 2.363 3.371 . 0 0 "[ . 1 . 2]" 1
482 1 28 TRP H 1 61 LEU HB2 . . 5.380 5.217 4.761 5.377 . 0 0 "[ . 1 . 2]" 1
483 1 28 TRP H 1 61 LEU HB3 . . 4.110 4.001 3.539 4.112 0.002 9 0 "[ . 1 . 2]" 1
484 1 28 TRP H 1 62 SER HA . . 4.040 3.603 3.185 3.977 . 0 0 "[ . 1 . 2]" 1
485 1 28 TRP HA 1 29 GLU H . . 3.140 2.612 2.602 2.615 . 0 0 "[ . 1 . 2]" 1
486 1 28 TRP HA 1 29 GLU QG . . 4.340 3.786 3.276 4.259 . 0 0 "[ . 1 . 2]" 1
487 1 28 TRP HB2 1 29 GLU H . . 3.170 2.046 2.008 2.100 . 0 0 "[ . 1 . 2]" 1
488 1 28 TRP HB2 1 78 VAL MG1 . . 3.850 2.486 2.001 2.865 . 0 0 "[ . 1 . 2]" 1
489 1 28 TRP HB3 1 28 TRP HE3 . . 3.960 2.592 2.474 2.740 . 0 0 "[ . 1 . 2]" 1
490 1 28 TRP HB3 1 29 GLU H . . 3.670 3.545 3.466 3.616 . 0 0 "[ . 1 . 2]" 1
491 1 28 TRP HB3 1 78 VAL MG1 . . 3.920 2.539 2.092 2.856 . 0 0 "[ . 1 . 2]" 1
492 1 28 TRP HB3 1 78 VAL MG2 . . 5.170 3.312 3.001 3.587 . 0 0 "[ . 1 . 2]" 1
493 1 28 TRP HD1 1 29 GLU H . . 4.180 3.098 2.730 3.414 . 0 0 "[ . 1 . 2]" 1
494 1 28 TRP HD1 1 41 TYR QE . . 4.170 3.675 3.035 4.007 . 0 0 "[ . 1 . 2]" 1
495 1 28 TRP HD1 1 61 LEU HA . . 4.350 3.656 3.248 3.890 . 0 0 "[ . 1 . 2]" 1
496 1 28 TRP HD1 1 61 LEU MD1 . . 5.430 5.113 4.722 5.398 . 0 0 "[ . 1 . 2]" 1
497 1 28 TRP HD1 1 61 LEU MD2 . . 3.610 2.823 2.471 3.089 . 0 0 "[ . 1 . 2]" 1
498 1 28 TRP HD1 1 78 VAL MG1 . . 4.820 4.075 3.670 4.417 . 0 0 "[ . 1 . 2]" 1
499 1 28 TRP HD1 1 78 VAL MG2 . . 4.620 3.341 2.735 3.651 . 0 0 "[ . 1 . 2]" 1
500 1 28 TRP HE1 1 41 TYR HB2 . . 3.960 3.483 2.912 3.786 . 0 0 "[ . 1 . 2]" 1
501 1 28 TRP HE1 1 41 TYR HB3 . . 3.970 3.583 2.965 3.940 . 0 0 "[ . 1 . 2]" 1
502 1 28 TRP HE1 1 41 TYR QE . . 4.160 3.993 3.680 4.164 0.004 9 0 "[ . 1 . 2]" 1
503 1 28 TRP HE1 1 61 LEU HA . . 3.410 2.185 2.033 2.328 . 0 0 "[ . 1 . 2]" 1
504 1 28 TRP HE1 1 61 LEU MD2 . . 3.530 2.253 1.926 2.750 . 0 0 "[ . 1 . 2]" 1
505 1 28 TRP HE1 1 78 VAL MG2 . . 4.410 3.814 3.471 4.108 . 0 0 "[ . 1 . 2]" 1
506 1 28 TRP HE3 1 43 LEU MD1 . . 4.160 3.488 3.102 3.864 . 0 0 "[ . 1 . 2]" 1
507 1 28 TRP HE3 1 43 LEU MD2 . . 4.480 3.720 3.353 4.177 . 0 0 "[ . 1 . 2]" 1
508 1 28 TRP HE3 1 78 VAL MG1 . . 4.350 4.282 4.070 4.356 0.006 1 0 "[ . 1 . 2]" 1
509 1 28 TRP HE3 1 78 VAL MG2 . . 4.300 4.052 3.691 4.269 . 0 0 "[ . 1 . 2]" 1
510 1 28 TRP HH2 1 43 LEU MD2 . . 4.360 3.296 2.916 3.765 . 0 0 "[ . 1 . 2]" 1
511 1 28 TRP HH2 1 56 TYR QD . . 4.400 3.345 2.586 4.097 . 0 0 "[ . 1 . 2]" 1
512 1 28 TRP HH2 1 56 TYR QE . . 4.400 3.333 2.453 4.023 . 0 0 "[ . 1 . 2]" 1
513 1 28 TRP HH2 1 63 TYR H . . 4.790 3.707 2.973 4.793 0.003 18 0 "[ . 1 . 2]" 1
514 1 28 TRP HH2 1 63 TYR HB2 . . 4.130 2.288 2.000 2.856 . 0 0 "[ . 1 . 2]" 1
515 1 28 TRP HH2 1 63 TYR QB . . 3.520 2.190 1.812 2.806 . 0 0 "[ . 1 . 2]" 1
516 1 28 TRP HH2 1 63 TYR HB3 . . 4.130 2.888 2.049 4.117 . 0 0 "[ . 1 . 2]" 1
517 1 28 TRP HH2 1 63 TYR QD . . 4.700 4.226 3.845 4.565 . 0 0 "[ . 1 . 2]" 1
518 1 28 TRP HZ2 1 41 TYR HB2 . . 3.980 3.636 3.177 3.976 . 0 0 "[ . 1 . 2]" 1
519 1 28 TRP HZ2 1 41 TYR HB3 . . 4.400 4.256 3.572 4.403 0.003 11 0 "[ . 1 . 2]" 1
520 1 28 TRP HZ2 1 56 TYR QD . . 4.360 3.947 3.350 4.360 0.000 10 0 "[ . 1 . 2]" 1
521 1 28 TRP HZ2 1 56 TYR QE . . 3.550 2.729 2.140 3.381 . 0 0 "[ . 1 . 2]" 1
522 1 28 TRP HZ2 1 61 LEU HA . . 4.450 2.931 2.513 3.504 . 0 0 "[ . 1 . 2]" 1
523 1 28 TRP HZ2 1 62 SER H . . 4.530 3.668 3.157 4.357 . 0 0 "[ . 1 . 2]" 1
524 1 28 TRP HZ2 1 78 VAL MG2 . . 5.020 4.566 4.244 4.899 . 0 0 "[ . 1 . 2]" 1
525 1 28 TRP HZ3 1 43 LEU MD1 . . 4.270 3.628 3.149 4.123 . 0 0 "[ . 1 . 2]" 1
526 1 28 TRP HZ3 1 43 LEU MD2 . . 3.760 2.489 2.110 3.116 . 0 0 "[ . 1 . 2]" 1
527 1 28 TRP HZ3 1 63 TYR H . . 3.870 2.957 2.085 3.731 . 0 0 "[ . 1 . 2]" 1
528 1 28 TRP HZ3 1 63 TYR HB2 . . 4.550 3.433 2.845 3.916 . 0 0 "[ . 1 . 2]" 1
529 1 28 TRP HZ3 1 63 TYR QB . . 3.890 2.516 2.287 2.836 . 0 0 "[ . 1 . 2]" 1
530 1 28 TRP HZ3 1 63 TYR HB3 . . 4.550 2.603 2.334 2.911 . 0 0 "[ . 1 . 2]" 1
531 1 29 GLU H 1 29 GLU HB2 . . 4.100 3.140 2.720 3.947 . 0 0 "[ . 1 . 2]" 1
532 1 29 GLU H 1 29 GLU QB . . 3.410 2.856 2.658 3.265 . 0 0 "[ . 1 . 2]" 1
533 1 29 GLU H 1 29 GLU HB3 . . 4.100 3.671 3.116 3.890 . 0 0 "[ . 1 . 2]" 1
534 1 29 GLU H 1 29 GLU QG . . 4.000 3.142 2.330 3.642 . 0 0 "[ . 1 . 2]" 1
535 1 29 GLU H 1 30 VAL HA . . 4.730 4.771 4.735 4.802 0.072 11 0 "[ . 1 . 2]" 1
536 1 29 GLU H 1 78 VAL MG1 . . 4.660 3.936 3.508 4.200 . 0 0 "[ . 1 . 2]" 1
537 1 29 GLU H 1 78 VAL MG2 . . 5.020 4.651 4.254 4.833 . 0 0 "[ . 1 . 2]" 1
538 1 29 GLU HA 1 30 VAL H . . 3.100 2.465 2.313 2.507 . 0 0 "[ . 1 . 2]" 1
539 1 29 GLU HA 1 61 LEU MD1 . . 4.580 3.789 3.125 4.174 . 0 0 "[ . 1 . 2]" 1
540 1 29 GLU QB 1 30 VAL H . . 3.080 2.298 2.177 2.639 . 0 0 "[ . 1 . 2]" 1
541 1 29 GLU QB 1 61 LEU MD1 . . 5.340 4.802 4.377 5.321 . 0 0 "[ . 1 . 2]" 1
542 1 29 GLU QB 1 61 LEU MD2 . . 5.090 4.345 3.760 4.922 . 0 0 "[ . 1 . 2]" 1
543 1 29 GLU HG2 1 30 VAL H . . 5.500 4.145 3.327 4.761 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLU HG3 1 30 VAL H . . 5.500 4.336 2.977 4.907 . 0 0 "[ . 1 . 2]" 1
545 1 30 VAL H 1 30 VAL HB . . 3.430 2.615 2.433 2.920 . 0 0 "[ . 1 . 2]" 1
546 1 30 VAL H 1 30 VAL MG1 . . 3.940 3.799 3.702 3.834 . 0 0 "[ . 1 . 2]" 1
547 1 30 VAL H 1 30 VAL MG2 . . 3.240 2.339 1.842 2.828 . 0 0 "[ . 1 . 2]" 1
548 1 30 VAL H 1 61 LEU MD1 . . 4.400 4.230 3.866 4.404 0.004 9 0 "[ . 1 . 2]" 1
549 1 30 VAL H 1 61 LEU MD2 . . 4.210 3.503 3.071 4.104 . 0 0 "[ . 1 . 2]" 1
550 1 30 VAL HB 1 31 PRO QD . . 4.680 3.799 3.482 4.051 . 0 0 "[ . 1 . 2]" 1
551 1 30 VAL HB 1 61 LEU MD1 . . 5.500 5.015 4.017 5.377 . 0 0 "[ . 1 . 2]" 1
552 1 30 VAL HB 1 61 LEU MD2 . . 4.870 4.452 3.772 4.796 . 0 0 "[ . 1 . 2]" 1
553 1 30 VAL MG1 1 31 PRO HD2 . . 4.410 1.876 1.807 1.986 . 0 0 "[ . 1 . 2]" 1
554 1 30 VAL MG1 1 31 PRO QD . . 3.620 1.864 1.796 1.972 . 0 0 "[ . 1 . 2]" 1
555 1 30 VAL MG1 1 31 PRO HD3 . . 4.410 3.228 3.074 3.391 . 0 0 "[ . 1 . 2]" 1
556 1 30 VAL MG1 1 38 VAL MG1 . . 4.700 3.671 3.102 4.573 . 0 0 "[ . 1 . 2]" 1
557 1 30 VAL MG1 1 38 VAL MG2 . . 3.900 2.066 1.776 2.814 . 0 0 "[ . 1 . 2]" 1
558 1 30 VAL MG1 1 41 TYR QE . . 4.800 3.314 2.549 4.237 . 0 0 "[ . 1 . 2]" 1
559 1 30 VAL MG1 1 41 TYR HH . . 4.120 2.955 1.976 3.810 . 0 0 "[ . 1 . 2]" 1
560 1 30 VAL MG1 1 61 LEU MD2 . . 4.600 4.360 4.031 4.598 . 0 0 "[ . 1 . 2]" 1
561 1 30 VAL MG2 1 31 PRO HD2 . . 4.740 3.579 3.255 3.922 . 0 0 "[ . 1 . 2]" 1
562 1 30 VAL MG2 1 31 PRO QD . . 3.910 3.401 3.123 3.701 . 0 0 "[ . 1 . 2]" 1
563 1 30 VAL MG2 1 31 PRO HD3 . . 4.740 4.251 4.016 4.538 . 0 0 "[ . 1 . 2]" 1
564 1 30 VAL MG2 1 41 TYR QE . . 3.680 2.349 1.973 3.133 . 0 0 "[ . 1 . 2]" 1
565 1 30 VAL MG2 1 41 TYR HH . . 3.810 2.037 1.801 2.449 . 0 0 "[ . 1 . 2]" 1
566 1 30 VAL MG2 1 61 LEU MD1 . . 3.400 3.090 2.534 3.403 0.003 18 0 "[ . 1 . 2]" 1
567 1 30 VAL MG2 1 61 LEU MD2 . . 3.130 2.271 1.945 2.468 . 0 0 "[ . 1 . 2]" 1
568 1 31 PRO HB2 1 32 LEU H . . 3.770 2.135 1.898 2.559 . 0 0 "[ . 1 . 2]" 1
569 1 31 PRO HB2 1 80 ALA MB . . 5.380 5.227 4.762 5.383 0.003 3 0 "[ . 1 . 2]" 1
570 1 31 PRO HB3 1 32 LEU H . . 3.950 3.239 3.145 3.427 . 0 0 "[ . 1 . 2]" 1
571 1 31 PRO QD 1 38 VAL MG1 . . 4.580 4.231 3.961 4.578 . 0 0 "[ . 1 . 2]" 1
572 1 31 PRO QD 1 38 VAL MG2 . . 3.640 2.752 2.428 2.953 . 0 0 "[ . 1 . 2]" 1
573 1 31 PRO QD 1 41 TYR QE . . 3.740 3.589 3.360 3.742 0.002 20 0 "[ . 1 . 2]" 1
574 1 31 PRO QD 1 80 ALA MB . . 3.860 2.968 2.578 3.274 . 0 0 "[ . 1 . 2]" 1
575 1 31 PRO HD2 1 38 VAL MG2 . . 4.140 2.803 2.465 3.024 . 0 0 "[ . 1 . 2]" 1
576 1 31 PRO HD2 1 41 TYR QE . . 4.390 3.970 3.685 4.307 . 0 0 "[ . 1 . 2]" 1
577 1 31 PRO HD2 1 80 ALA MB . . 4.650 3.247 2.828 3.715 . 0 0 "[ . 1 . 2]" 1
578 1 31 PRO HD3 1 38 VAL MG2 . . 4.140 4.017 3.650 4.142 0.002 20 0 "[ . 1 . 2]" 1
579 1 31 PRO HD3 1 41 TYR QE . . 4.390 4.147 3.687 4.395 0.005 9 0 "[ . 1 . 2]" 1
580 1 31 PRO HD3 1 80 ALA MB . . 4.650 3.448 2.973 3.830 . 0 0 "[ . 1 . 2]" 1
581 1 31 PRO QG 1 38 VAL MG2 . . 3.610 3.379 2.994 3.612 0.002 18 0 "[ . 1 . 2]" 1
582 1 31 PRO QG 1 80 ALA MB . . 3.300 2.959 2.553 3.115 . 0 0 "[ . 1 . 2]" 1
583 1 31 PRO HG2 1 38 VAL MG2 . . 4.360 3.587 3.160 3.886 . 0 0 "[ . 1 . 2]" 1
584 1 31 PRO HG2 1 80 ALA MB . . 4.080 3.673 3.208 3.930 . 0 0 "[ . 1 . 2]" 1
585 1 31 PRO HG3 1 38 VAL MG2 . . 4.360 4.131 3.678 4.356 . 0 0 "[ . 1 . 2]" 1
586 1 31 PRO HG3 1 80 ALA MB . . 4.080 3.126 2.681 3.347 . 0 0 "[ . 1 . 2]" 1
587 1 32 LEU H 1 32 LEU HB2 . . 3.610 2.551 2.196 2.951 . 0 0 "[ . 1 . 2]" 1
588 1 32 LEU H 1 32 LEU QB . . 2.840 2.300 2.172 2.466 . 0 0 "[ . 1 . 2]" 1
589 1 32 LEU H 1 32 LEU HB3 . . 3.610 2.841 2.373 3.609 . 0 0 "[ . 1 . 2]" 1
590 1 32 LEU H 1 32 LEU MD1 . . 4.560 3.899 2.313 4.417 . 0 0 "[ . 1 . 2]" 1
591 1 32 LEU H 1 32 LEU QD . . 3.880 3.528 2.299 3.859 . 0 0 "[ . 1 . 2]" 1
592 1 32 LEU H 1 32 LEU MD2 . . 4.560 4.152 3.698 4.351 . 0 0 "[ . 1 . 2]" 1
593 1 32 LEU H 1 32 LEU HG . . 4.710 4.145 2.313 4.709 . 0 0 "[ . 1 . 2]" 1
594 1 32 LEU HA 1 32 LEU MD1 . . 4.160 2.799 2.037 3.945 . 0 0 "[ . 1 . 2]" 1
595 1 32 LEU HA 1 32 LEU QD . . 3.140 2.358 2.030 2.948 . 0 0 "[ . 1 . 2]" 1
596 1 32 LEU HA 1 32 LEU MD2 . . 4.160 3.383 2.150 3.970 . 0 0 "[ . 1 . 2]" 1
597 1 32 LEU HA 1 32 LEU HG . . 3.950 2.815 2.335 3.698 . 0 0 "[ . 1 . 2]" 1
598 1 32 LEU HA 1 33 SER H . . 2.920 2.297 2.147 2.679 . 0 0 "[ . 1 . 2]" 1
599 1 32 LEU HA 1 33 SER QB . . 5.340 4.553 4.151 4.946 . 0 0 "[ . 1 . 2]" 1
600 1 32 LEU QB 1 32 LEU QD . . 2.780 1.890 1.820 1.976 . 0 0 "[ . 1 . 2]" 1
601 1 32 LEU QB 1 33 SER H . . 4.110 3.912 3.582 4.039 . 0 0 "[ . 1 . 2]" 1
602 1 32 LEU QD 1 33 SER H . . 4.220 3.657 2.641 4.218 . 0 0 "[ . 1 . 2]" 1
603 1 32 LEU HG 1 33 SER H . . 5.120 4.278 3.411 5.108 . 0 0 "[ . 1 . 2]" 1
604 1 33 SER H 1 33 SER HB2 . . 4.100 3.224 2.466 3.949 . 0 0 "[ . 1 . 2]" 1
605 1 33 SER H 1 33 SER QB . . 3.590 2.657 2.229 3.048 . 0 0 "[ . 1 . 2]" 1
606 1 33 SER H 1 33 SER HB3 . . 4.100 3.102 2.281 3.816 . 0 0 "[ . 1 . 2]" 1
607 1 33 SER H 1 34 ASN H . . 4.330 4.161 3.728 4.338 0.008 19 0 "[ . 1 . 2]" 1
608 1 33 SER HA 1 34 ASN H . . 3.570 2.197 2.138 2.374 . 0 0 "[ . 1 . 2]" 1
609 1 33 SER HA 1 34 ASN HD21 . . 4.520 3.859 3.360 4.309 . 0 0 "[ . 1 . 2]" 1
610 1 33 SER HA 1 34 ASN QD . . 3.810 3.581 3.271 3.803 . 0 0 "[ . 1 . 2]" 1
611 1 33 SER HA 1 34 ASN HD22 . . 4.520 4.308 4.030 4.522 0.002 13 0 "[ . 1 . 2]" 1
612 1 33 SER QB 1 38 VAL MG2 . . 3.990 3.655 3.081 3.992 0.002 13 0 "[ . 1 . 2]" 1
613 1 34 ASN QB 1 34 ASN HD22 . . 3.720 3.355 3.275 3.448 . 0 0 "[ . 1 . 2]" 1
614 1 35 GLY H 1 36 THR H . . 4.630 3.028 2.094 3.834 . 0 0 "[ . 1 . 2]" 1
615 1 35 GLY QA 1 36 THR MG . . 4.570 3.781 3.468 4.025 . 0 0 "[ . 1 . 2]" 1
616 1 36 THR H 1 36 THR HB . . 3.770 3.269 2.619 3.773 0.003 8 0 "[ . 1 . 2]" 1
617 1 36 THR H 1 36 THR MG . . 4.200 2.515 1.881 3.234 . 0 0 "[ . 1 . 2]" 1
618 1 36 THR HA 1 36 THR MG . . 3.580 2.610 2.006 3.207 . 0 0 "[ . 1 . 2]" 1
619 1 36 THR HA 1 37 ASP H . . 3.420 2.233 2.164 2.303 . 0 0 "[ . 1 . 2]" 1
620 1 36 THR HB 1 37 ASP H . . 4.730 3.406 2.646 4.119 . 0 0 "[ . 1 . 2]" 1
621 1 36 THR HB 1 83 VAL H . . 5.500 4.314 3.561 5.098 . 0 0 "[ . 1 . 2]" 1
622 1 36 THR HB 1 84 VAL MG1 . . 4.860 4.207 3.581 4.829 . 0 0 "[ . 1 . 2]" 1
623 1 36 THR MG 1 37 ASP H . . 4.520 3.666 3.360 3.892 . 0 0 "[ . 1 . 2]" 1
624 1 36 THR MG 1 37 ASP QB . . 5.340 5.169 4.889 5.345 0.005 14 0 "[ . 1 . 2]" 1
625 1 36 THR MG 1 82 SER HB2 . . 3.740 2.806 2.318 3.157 . 0 0 "[ . 1 . 2]" 1
626 1 36 THR MG 1 82 SER HB3 . . 3.910 3.384 2.341 3.911 0.001 2 0 "[ . 1 . 2]" 1
627 1 36 THR MG 1 83 VAL H . . 4.310 3.815 3.224 4.306 . 0 0 "[ . 1 . 2]" 1
628 1 36 THR MG 1 84 VAL MG1 . . 3.420 2.694 1.966 3.402 . 0 0 "[ . 1 . 2]" 1
629 1 37 ASP H 1 37 ASP QB . . 3.610 2.456 2.196 2.911 . 0 0 "[ . 1 . 2]" 1
630 1 37 ASP HA 1 38 VAL H . . 3.140 2.221 2.142 2.344 . 0 0 "[ . 1 . 2]" 1
631 1 37 ASP HA 1 38 VAL MG2 . . 4.420 3.578 3.350 3.874 . 0 0 "[ . 1 . 2]" 1
632 1 37 ASP QB 1 38 VAL H . . 4.110 3.145 2.573 3.758 . 0 0 "[ . 1 . 2]" 1
633 1 38 VAL H 1 38 VAL HB . . 3.380 2.633 2.470 2.787 . 0 0 "[ . 1 . 2]" 1
634 1 38 VAL H 1 38 VAL MG1 . . 4.700 3.763 3.737 3.791 . 0 0 "[ . 1 . 2]" 1
635 1 38 VAL H 1 38 VAL MG2 . . 3.610 2.057 1.897 2.254 . 0 0 "[ . 1 . 2]" 1
636 1 38 VAL HA 1 38 VAL MG1 . . 3.440 2.307 2.208 2.398 . 0 0 "[ . 1 . 2]" 1
637 1 38 VAL HA 1 38 VAL MG2 . . 3.290 2.394 2.263 2.498 . 0 0 "[ . 1 . 2]" 1
638 1 38 VAL HA 1 39 THR H . . 3.080 2.161 2.139 2.259 . 0 0 "[ . 1 . 2]" 1
639 1 38 VAL HA 1 39 THR MG . . 4.450 3.968 3.353 4.413 . 0 0 "[ . 1 . 2]" 1
640 1 38 VAL HA 1 40 GLU H . . 4.380 4.113 3.706 4.383 0.003 20 0 "[ . 1 . 2]" 1
641 1 38 VAL HA 1 82 SER H . . 5.500 5.026 4.697 5.366 . 0 0 "[ . 1 . 2]" 1
642 1 38 VAL HA 1 82 SER HA . . 4.180 3.171 2.683 3.599 . 0 0 "[ . 1 . 2]" 1
643 1 38 VAL HA 1 82 SER HB2 . . 5.330 4.794 4.201 5.163 . 0 0 "[ . 1 . 2]" 1
644 1 38 VAL HA 1 82 SER HB3 . . 4.300 3.769 3.209 4.092 . 0 0 "[ . 1 . 2]" 1
645 1 38 VAL HB 1 41 TYR HH . . 4.520 3.201 2.169 4.032 . 0 0 "[ . 1 . 2]" 1
646 1 38 VAL MG1 1 39 THR H . . 3.720 2.656 2.161 3.155 . 0 0 "[ . 1 . 2]" 1
647 1 38 VAL MG1 1 39 THR HA . . 4.520 4.146 3.734 4.492 . 0 0 "[ . 1 . 2]" 1
648 1 38 VAL MG1 1 39 THR MG . . 5.320 4.492 4.064 4.730 . 0 0 "[ . 1 . 2]" 1
649 1 38 VAL MG1 1 40 GLU H . . 3.790 2.657 2.287 3.262 . 0 0 "[ . 1 . 2]" 1
650 1 38 VAL MG1 1 41 TYR QE . . 3.960 2.514 2.226 2.801 . 0 0 "[ . 1 . 2]" 1
651 1 38 VAL MG1 1 41 TYR HH . . 4.280 3.355 2.788 3.847 . 0 0 "[ . 1 . 2]" 1
652 1 38 VAL MG1 1 80 ALA MB . . 3.250 2.189 1.947 2.688 . 0 0 "[ . 1 . 2]" 1
653 1 38 VAL MG1 1 81 LEU H . . 3.750 2.256 1.920 2.530 . 0 0 "[ . 1 . 2]" 1
654 1 38 VAL MG2 1 39 THR H . . 4.600 4.122 3.939 4.259 . 0 0 "[ . 1 . 2]" 1
655 1 38 VAL MG2 1 80 ALA MB . . 3.290 1.979 1.724 2.384 . 0 0 "[ . 1 . 2]" 1
656 1 38 VAL MG2 1 81 LEU H . . 5.110 4.084 3.671 4.581 . 0 0 "[ . 1 . 2]" 1
657 1 39 THR H 1 39 THR MG . . 3.810 2.609 2.034 3.019 . 0 0 "[ . 1 . 2]" 1
658 1 39 THR H 1 40 GLU H . . 3.140 2.554 1.829 3.143 0.003 7 0 "[ . 1 . 2]" 1
659 1 39 THR H 1 40 GLU HA . . 5.500 5.009 4.533 5.322 . 0 0 "[ . 1 . 2]" 1
660 1 39 THR H 1 82 SER HA . . 3.450 2.755 1.954 3.335 . 0 0 "[ . 1 . 2]" 1
661 1 39 THR H 1 82 SER HB2 . . 5.500 5.106 4.197 5.503 0.003 14 0 "[ . 1 . 2]" 1
662 1 39 THR HA 1 39 THR MG . . 3.020 2.297 2.155 2.467 . 0 0 "[ . 1 . 2]" 1
663 1 39 THR HB 1 40 GLU H . . 4.570 3.339 2.942 3.989 . 0 0 "[ . 1 . 2]" 1
664 1 39 THR HB 1 40 GLU QG . . 4.550 4.260 3.490 4.547 . 0 0 "[ . 1 . 2]" 1
665 1 39 THR HB 1 83 VAL MG1 . . 4.910 4.271 4.006 4.620 . 0 0 "[ . 1 . 2]" 1
666 1 39 THR MG 1 40 GLU H . . 4.610 3.927 3.719 4.148 . 0 0 "[ . 1 . 2]" 1
667 1 39 THR MG 1 82 SER HA . . 3.960 2.992 2.110 3.923 . 0 0 "[ . 1 . 2]" 1
668 1 39 THR MG 1 83 VAL H . . 4.510 3.571 2.772 4.255 . 0 0 "[ . 1 . 2]" 1
669 1 39 THR MG 1 83 VAL HB . . 4.950 4.553 4.083 4.947 . 0 0 "[ . 1 . 2]" 1
670 1 40 GLU H 1 40 GLU QG . . 4.780 2.938 2.399 4.106 . 0 0 "[ . 1 . 2]" 1
671 1 40 GLU H 1 41 TYR H . . 4.620 4.401 4.363 4.448 . 0 0 "[ . 1 . 2]" 1
672 1 40 GLU H 1 81 LEU H . . 4.060 3.371 2.929 3.629 . 0 0 "[ . 1 . 2]" 1
673 1 40 GLU H 1 81 LEU HB2 . . 4.400 2.588 2.261 2.836 . 0 0 "[ . 1 . 2]" 1
674 1 40 GLU H 1 82 SER HA . . 4.980 4.723 4.384 4.981 0.001 7 0 "[ . 1 . 2]" 1
675 1 40 GLU HA 1 40 GLU QG . . 3.790 3.113 2.288 3.467 . 0 0 "[ . 1 . 2]" 1
676 1 40 GLU HA 1 41 TYR H . . 3.140 2.502 2.365 2.644 . 0 0 "[ . 1 . 2]" 1
677 1 40 GLU HA 1 58 GLY H . . 4.760 4.556 4.196 4.760 . 0 0 "[ . 1 . 2]" 1
678 1 40 GLU HA 1 59 PRO HA . . 3.700 2.804 2.340 3.485 . 0 0 "[ . 1 . 2]" 1
679 1 40 GLU QB 1 58 GLY H . . 4.320 3.474 2.916 4.322 0.002 14 0 "[ . 1 . 2]" 1
680 1 40 GLU QB 1 81 LEU HB2 . . 4.390 3.714 2.049 4.390 0.000 20 0 "[ . 1 . 2]" 1
681 1 40 GLU QB 1 81 LEU MD1 . . 4.380 3.663 2.028 4.303 . 0 0 "[ . 1 . 2]" 1
682 1 40 GLU QB 1 81 LEU MD2 . . 5.340 3.953 2.340 4.693 . 0 0 "[ . 1 . 2]" 1
683 1 40 GLU HB2 1 41 TYR H . . 4.160 2.723 2.144 3.916 . 0 0 "[ . 1 . 2]" 1
684 1 40 GLU HB2 1 81 LEU HB2 . . 5.210 4.310 2.081 5.200 . 0 0 "[ . 1 . 2]" 1
685 1 40 GLU HB3 1 41 TYR H . . 4.160 3.434 2.194 4.025 . 0 0 "[ . 1 . 2]" 1
686 1 40 GLU HB3 1 81 LEU HB2 . . 5.210 4.231 2.938 4.881 . 0 0 "[ . 1 . 2]" 1
687 1 40 GLU QG 1 41 TYR H . . 4.160 3.016 2.327 3.896 . 0 0 "[ . 1 . 2]" 1
688 1 40 GLU QG 1 58 GLY H . . 4.280 3.936 3.437 4.282 0.002 10 0 "[ . 1 . 2]" 1
689 1 40 GLU QG 1 58 GLY QA . . 4.570 4.193 3.052 4.574 0.004 5 0 "[ . 1 . 2]" 1
690 1 40 GLU QG 1 81 LEU HB2 . . 4.230 2.779 2.067 4.234 0.004 9 0 "[ . 1 . 2]" 1
691 1 40 GLU QG 1 81 LEU MD1 . . 3.950 2.759 2.150 3.952 0.002 3 0 "[ . 1 . 2]" 1
692 1 40 GLU QG 1 81 LEU MD2 . . 4.310 2.967 2.527 4.103 . 0 0 "[ . 1 . 2]" 1
693 1 41 TYR H 1 41 TYR HB2 . . 3.800 2.704 2.444 2.911 . 0 0 "[ . 1 . 2]" 1
694 1 41 TYR H 1 41 TYR HB3 . . 4.100 3.783 3.584 3.927 . 0 0 "[ . 1 . 2]" 1
695 1 41 TYR H 1 41 TYR HD1 . . 4.500 3.225 2.163 5.358 0.858 4 5 "[ +. * 1 * * - 2]" 1
696 1 41 TYR H 1 57 CYS HA . . 4.800 4.305 3.840 4.601 . 0 0 "[ . 1 . 2]" 1
697 1 41 TYR H 1 58 GLY H . . 3.440 2.642 2.225 3.021 . 0 0 "[ . 1 . 2]" 1
698 1 41 TYR H 1 59 PRO HA . . 4.330 3.638 3.126 4.330 0.000 3 0 "[ . 1 . 2]" 1
699 1 41 TYR HA 1 42 ARG H . . 3.020 2.143 2.137 2.195 . 0 0 "[ . 1 . 2]" 1
700 1 41 TYR HA 1 78 VAL MG2 . . 4.870 3.915 3.647 4.126 . 0 0 "[ . 1 . 2]" 1
701 1 41 TYR HA 1 80 ALA MB . . 5.160 4.782 4.494 5.079 . 0 0 "[ . 1 . 2]" 1
702 1 41 TYR HA 1 81 LEU H . . 3.890 3.487 3.033 3.770 . 0 0 "[ . 1 . 2]" 1
703 1 41 TYR HA 1 81 LEU MD1 . . 4.070 2.646 2.121 3.015 . 0 0 "[ . 1 . 2]" 1
704 1 41 TYR HB2 1 42 ARG H . . 4.460 4.313 4.199 4.462 0.002 4 0 "[ . 1 . 2]" 1
705 1 41 TYR HB2 1 56 TYR QE . . 4.350 3.831 3.425 4.286 . 0 0 "[ . 1 . 2]" 1
706 1 41 TYR HB2 1 58 GLY H . . 4.770 3.723 3.265 4.179 . 0 0 "[ . 1 . 2]" 1
707 1 41 TYR HB2 1 78 VAL MG2 . . 4.230 3.962 3.617 4.221 . 0 0 "[ . 1 . 2]" 1
708 1 41 TYR HB3 1 42 ARG H . . 3.740 3.481 3.115 3.588 . 0 0 "[ . 1 . 2]" 1
709 1 41 TYR HB3 1 56 TYR QE . . 5.290 4.954 4.013 5.296 0.006 1 0 "[ . 1 . 2]" 1
710 1 41 TYR HB3 1 78 VAL MG2 . . 3.710 2.681 2.453 2.929 . 0 0 "[ . 1 . 2]" 1
711 1 41 TYR HD2 1 78 VAL MG2 . . 4.790 3.316 1.901 5.100 0.310 4 0 "[ . 1 . 2]" 1
712 1 41 TYR HD2 1 80 ALA MB . . 4.850 4.228 3.399 5.820 0.970 13 3 "[ . 1 + - * 2]" 1
713 1 41 TYR QE 1 61 LEU MD1 . . 5.500 5.088 4.511 5.496 . 0 0 "[ . 1 . 2]" 1
714 1 41 TYR QE 1 61 LEU MD2 . . 3.680 3.192 2.662 3.517 . 0 0 "[ . 1 . 2]" 1
715 1 41 TYR QE 1 78 VAL MG2 . . 4.840 4.011 2.838 4.750 . 0 0 "[ . 1 . 2]" 1
716 1 41 TYR QE 1 80 ALA MB . . 3.550 3.143 2.364 3.534 . 0 0 "[ . 1 . 2]" 1
717 1 41 TYR HH 1 61 LEU MD2 . . 3.910 3.289 2.193 3.913 0.003 7 0 "[ . 1 . 2]" 1
718 1 42 ARG H 1 42 ARG HB2 . . 3.830 2.294 2.235 2.404 . 0 0 "[ . 1 . 2]" 1
719 1 42 ARG H 1 42 ARG HB3 . . 4.130 3.536 3.502 3.602 . 0 0 "[ . 1 . 2]" 1
720 1 42 ARG H 1 42 ARG QG . . 4.260 3.166 2.935 3.289 . 0 0 "[ . 1 . 2]" 1
721 1 42 ARG H 1 43 LEU H . . 4.320 4.228 4.051 4.318 . 0 0 "[ . 1 . 2]" 1
722 1 42 ARG H 1 78 VAL MG2 . . 3.990 3.790 3.449 3.992 0.002 3 0 "[ . 1 . 2]" 1
723 1 42 ARG H 1 79 GLN QG . . 3.640 2.817 2.178 3.489 . 0 0 "[ . 1 . 2]" 1
724 1 42 ARG H 1 81 LEU MD1 . . 4.020 2.411 2.044 2.641 . 0 0 "[ . 1 . 2]" 1
725 1 42 ARG HA 1 42 ARG HG2 . . 4.180 2.401 2.185 2.609 . 0 0 "[ . 1 . 2]" 1
726 1 42 ARG HA 1 42 ARG HG3 . . 4.180 2.834 2.557 3.185 . 0 0 "[ . 1 . 2]" 1
727 1 42 ARG HA 1 43 LEU H . . 2.930 2.164 2.145 2.201 . 0 0 "[ . 1 . 2]" 1
728 1 42 ARG HA 1 54 ILE MG . . 4.560 3.426 3.159 3.608 . 0 0 "[ . 1 . 2]" 1
729 1 42 ARG HA 1 57 CYS HA . . 3.620 2.976 2.467 3.351 . 0 0 "[ . 1 . 2]" 1
730 1 42 ARG HB2 1 42 ARG QD . . 3.800 2.497 2.268 3.128 . 0 0 "[ . 1 . 2]" 1
731 1 42 ARG HB2 1 54 ILE MD . . 4.380 3.583 3.080 4.066 . 0 0 "[ . 1 . 2]" 1
732 1 42 ARG HB2 1 81 LEU MD1 . . 3.550 2.296 2.008 2.616 . 0 0 "[ . 1 . 2]" 1
733 1 42 ARG HB2 1 81 LEU MD2 . . 4.220 3.770 3.291 4.087 . 0 0 "[ . 1 . 2]" 1
734 1 42 ARG HB2 1 89 PHE HZ . . 4.930 4.200 3.339 4.877 . 0 0 "[ . 1 . 2]" 1
735 1 42 ARG HB3 1 43 LEU H . . 4.110 3.782 3.670 3.924 . 0 0 "[ . 1 . 2]" 1
736 1 42 ARG HB3 1 54 ILE MD . . 3.620 2.243 1.895 2.772 . 0 0 "[ . 1 . 2]" 1
737 1 42 ARG HB3 1 54 ILE MG . . 3.930 3.559 2.810 3.865 . 0 0 "[ . 1 . 2]" 1
738 1 42 ARG HB3 1 81 LEU MD1 . . 4.130 3.753 3.460 4.092 . 0 0 "[ . 1 . 2]" 1
739 1 42 ARG QD 1 54 ILE MD . . 3.550 2.070 1.863 2.681 . 0 0 "[ . 1 . 2]" 1
740 1 42 ARG QD 1 54 ILE HG12 . . 4.700 4.347 3.972 4.668 . 0 0 "[ . 1 . 2]" 1
741 1 42 ARG QD 1 54 ILE MG . . 4.210 3.574 2.222 4.207 . 0 0 "[ . 1 . 2]" 1
742 1 42 ARG QD 1 81 LEU MD1 . . 3.650 2.864 2.153 3.649 . 0 0 "[ . 1 . 2]" 1
743 1 42 ARG QD 1 81 LEU MD2 . . 3.910 2.732 2.045 3.909 . 0 0 "[ . 1 . 2]" 1
744 1 42 ARG HE 1 81 LEU MD2 . . 4.550 2.852 1.986 4.393 . 0 0 "[ . 1 . 2]" 1
745 1 42 ARG QG 1 54 ILE MD . . 4.160 2.479 1.955 3.449 . 0 0 "[ . 1 . 2]" 1
746 1 42 ARG QG 1 57 CYS HA . . 4.100 3.767 2.937 4.105 0.005 9 0 "[ . 1 . 2]" 1
747 1 42 ARG QG 1 57 CYS QB . . 3.990 3.123 2.179 3.990 . 0 0 "[ . 1 . 2]" 1
748 1 42 ARG QG 1 81 LEU MD1 . . 3.210 2.459 2.018 3.155 . 0 0 "[ . 1 . 2]" 1
749 1 42 ARG QG 1 81 LEU MD2 . . 4.460 2.911 2.294 3.523 . 0 0 "[ . 1 . 2]" 1
750 1 42 ARG HG2 1 54 ILE MD . . 4.810 2.525 1.966 3.611 . 0 0 "[ . 1 . 2]" 1
751 1 42 ARG HG2 1 54 ILE MG . . 4.710 2.904 2.473 3.229 . 0 0 "[ . 1 . 2]" 1
752 1 42 ARG HG2 1 57 CYS HA . . 4.910 4.050 3.214 4.611 . 0 0 "[ . 1 . 2]" 1
753 1 42 ARG HG3 1 54 ILE MD . . 4.810 3.787 3.370 4.375 . 0 0 "[ . 1 . 2]" 1
754 1 42 ARG HG3 1 54 ILE MG . . 4.710 4.364 3.969 4.710 . 0 0 "[ . 1 . 2]" 1
755 1 42 ARG HG3 1 57 CYS HA . . 4.910 4.561 3.280 4.911 0.001 15 0 "[ . 1 . 2]" 1
756 1 43 LEU H 1 43 LEU HB2 . . 3.680 2.942 2.794 3.174 . 0 0 "[ . 1 . 2]" 1
757 1 43 LEU H 1 43 LEU QB . . 3.150 2.308 2.252 2.394 . 0 0 "[ . 1 . 2]" 1
758 1 43 LEU H 1 43 LEU HB3 . . 3.680 2.418 2.324 2.538 . 0 0 "[ . 1 . 2]" 1
759 1 43 LEU H 1 43 LEU MD2 . . 5.000 4.215 4.048 4.361 . 0 0 "[ . 1 . 2]" 1
760 1 43 LEU H 1 43 LEU HG . . 4.620 4.353 4.234 4.465 . 0 0 "[ . 1 . 2]" 1
761 1 43 LEU H 1 44 GLU H . . 5.060 4.397 4.286 4.550 . 0 0 "[ . 1 . 2]" 1
762 1 43 LEU H 1 54 ILE HA . . 5.170 4.777 4.489 5.117 . 0 0 "[ . 1 . 2]" 1
763 1 43 LEU H 1 54 ILE MG . . 4.110 3.406 3.031 3.795 . 0 0 "[ . 1 . 2]" 1
764 1 43 LEU H 1 56 TYR H . . 3.890 3.544 3.128 3.869 . 0 0 "[ . 1 . 2]" 1
765 1 43 LEU H 1 56 TYR QB . . 5.190 4.035 3.532 4.486 . 0 0 "[ . 1 . 2]" 1
766 1 43 LEU H 1 56 TYR QD . . 4.740 3.617 3.020 4.027 . 0 0 "[ . 1 . 2]" 1
767 1 43 LEU H 1 57 CYS HA . . 4.410 3.520 3.197 3.857 . 0 0 "[ . 1 . 2]" 1
768 1 43 LEU HA 1 43 LEU MD1 . . 3.480 2.403 1.984 2.670 . 0 0 "[ . 1 . 2]" 1
769 1 43 LEU HA 1 44 GLU H . . 3.170 2.148 2.140 2.224 . 0 0 "[ . 1 . 2]" 1
770 1 43 LEU HA 1 78 VAL HA . . 3.790 2.574 2.332 2.822 . 0 0 "[ . 1 . 2]" 1
771 1 43 LEU HA 1 78 VAL MG2 . . 4.100 3.489 3.158 3.756 . 0 0 "[ . 1 . 2]" 1
772 1 43 LEU HA 1 79 GLN H . . 4.300 4.001 3.647 4.257 . 0 0 "[ . 1 . 2]" 1
773 1 43 LEU QB 1 43 LEU MD2 . . 3.220 2.042 1.966 2.098 . 0 0 "[ . 1 . 2]" 1
774 1 43 LEU QB 1 56 TYR H . . 3.790 3.142 2.786 3.620 . 0 0 "[ . 1 . 2]" 1
775 1 43 LEU QB 1 56 TYR QB . . 4.180 2.623 2.089 3.164 . 0 0 "[ . 1 . 2]" 1
776 1 43 LEU QB 1 78 VAL MG2 . . 4.530 3.008 2.631 3.320 . 0 0 "[ . 1 . 2]" 1
777 1 43 LEU MD1 1 44 GLU H . . 3.600 2.926 2.035 3.338 . 0 0 "[ . 1 . 2]" 1
778 1 43 LEU MD1 1 65 ILE MD . . 4.680 4.246 3.940 4.562 . 0 0 "[ . 1 . 2]" 1
779 1 43 LEU MD1 1 76 CYS QB . . 3.680 2.444 2.062 3.073 . 0 0 "[ . 1 . 2]" 1
780 1 43 LEU MD1 1 77 ARG H . . 4.010 2.863 2.491 3.503 . 0 0 "[ . 1 . 2]" 1
781 1 43 LEU MD1 1 78 VAL HA . . 3.760 2.958 2.664 3.388 . 0 0 "[ . 1 . 2]" 1
782 1 43 LEU MD1 1 78 VAL HB . . 3.230 2.216 2.025 2.407 . 0 0 "[ . 1 . 2]" 1
783 1 43 LEU MD1 1 78 VAL MG2 . . 3.340 3.022 2.725 3.286 . 0 0 "[ . 1 . 2]" 1
784 1 43 LEU MD2 1 44 GLU H . . 4.940 4.601 4.170 4.772 . 0 0 "[ . 1 . 2]" 1
785 1 43 LEU MD2 1 55 CYS QB . . 4.990 3.465 2.773 4.470 . 0 0 "[ . 1 . 2]" 1
786 1 43 LEU MD2 1 56 TYR HB2 . . 4.240 3.702 2.970 4.162 . 0 0 "[ . 1 . 2]" 1
787 1 43 LEU MD2 1 56 TYR HB3 . . 4.240 2.590 2.018 2.996 . 0 0 "[ . 1 . 2]" 1
788 1 43 LEU MD2 1 56 TYR QD . . 4.850 3.445 2.989 4.167 . 0 0 "[ . 1 . 2]" 1
789 1 43 LEU MD2 1 63 TYR H . . 4.840 4.556 4.152 4.819 . 0 0 "[ . 1 . 2]" 1
790 1 43 LEU MD2 1 63 TYR HB2 . . 4.120 3.655 3.057 4.106 . 0 0 "[ . 1 . 2]" 1
791 1 43 LEU MD2 1 63 TYR QB . . 3.390 2.733 2.279 3.024 . 0 0 "[ . 1 . 2]" 1
792 1 43 LEU MD2 1 63 TYR HB3 . . 4.120 2.825 2.350 3.121 . 0 0 "[ . 1 . 2]" 1
793 1 43 LEU MD2 1 63 TYR QD . . 3.460 2.699 2.147 2.933 . 0 0 "[ . 1 . 2]" 1
794 1 43 LEU MD2 1 63 TYR QE . . 4.210 3.944 3.408 4.176 . 0 0 "[ . 1 . 2]" 1
795 1 43 LEU MD2 1 65 ILE MD . . 3.600 2.806 2.459 3.229 . 0 0 "[ . 1 . 2]" 1
796 1 43 LEU MD2 1 77 ARG H . . 5.500 5.113 4.838 5.440 . 0 0 "[ . 1 . 2]" 1
797 1 43 LEU MD2 1 78 VAL MG2 . . 4.490 4.342 3.994 4.495 0.005 15 0 "[ . 1 . 2]" 1
798 1 43 LEU HG 1 44 GLU H . . 4.060 3.135 2.670 3.333 . 0 0 "[ . 1 . 2]" 1
799 1 43 LEU HG 1 56 TYR H . . 5.070 4.277 3.833 5.031 . 0 0 "[ . 1 . 2]" 1
800 1 44 GLU H 1 44 GLU HB2 . . 3.790 2.488 2.266 2.638 . 0 0 "[ . 1 . 2]" 1
801 1 44 GLU H 1 44 GLU HB3 . . 4.170 3.665 3.503 3.759 . 0 0 "[ . 1 . 2]" 1
802 1 44 GLU H 1 44 GLU HG2 . . 4.490 3.837 3.530 4.287 . 0 0 "[ . 1 . 2]" 1
803 1 44 GLU H 1 44 GLU HG3 . . 4.490 3.079 2.456 3.894 . 0 0 "[ . 1 . 2]" 1
804 1 44 GLU H 1 45 TRP H . . 5.420 4.458 4.136 4.555 . 0 0 "[ . 1 . 2]" 1
805 1 44 GLU H 1 77 ARG H . . 3.830 2.941 2.764 3.287 . 0 0 "[ . 1 . 2]" 1
806 1 44 GLU H 1 77 ARG HG2 . . 4.940 3.412 2.361 4.089 . 0 0 "[ . 1 . 2]" 1
807 1 44 GLU H 1 77 ARG QG . . 4.260 2.900 2.283 3.213 . 0 0 "[ . 1 . 2]" 1
808 1 44 GLU H 1 77 ARG HG3 . . 4.940 3.187 2.888 3.530 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLU H 1 78 VAL HA . . 4.160 3.772 3.203 4.140 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLU H 1 89 PHE QE . . 4.490 3.752 3.195 4.457 . 0 0 "[ . 1 . 2]" 1
811 1 44 GLU HA 1 44 GLU HG2 . . 4.200 2.671 2.190 3.786 . 0 0 "[ . 1 . 2]" 1
812 1 44 GLU HA 1 44 GLU QG . . 3.640 2.367 2.143 2.588 . 0 0 "[ . 1 . 2]" 1
813 1 44 GLU HA 1 44 GLU HG3 . . 4.200 3.049 2.360 3.313 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLU HA 1 45 TRP H . . 2.900 2.193 2.138 2.285 . 0 0 "[ . 1 . 2]" 1
815 1 44 GLU HA 1 53 GLN H . . 4.750 4.209 3.771 4.594 . 0 0 "[ . 1 . 2]" 1
816 1 44 GLU HA 1 54 ILE HA . . 3.820 2.449 1.995 2.948 . 0 0 "[ . 1 . 2]" 1
817 1 44 GLU HA 1 54 ILE MD . . 4.570 3.753 3.174 4.590 0.020 10 0 "[ . 1 . 2]" 1
818 1 44 GLU HA 1 55 CYS H . . 3.790 2.548 1.915 3.141 . 0 0 "[ . 1 . 2]" 1
819 1 44 GLU HB2 1 45 TRP H . . 4.580 4.123 3.859 4.449 . 0 0 "[ . 1 . 2]" 1
820 1 44 GLU HB2 1 77 ARG H . . 4.330 3.421 3.045 3.960 . 0 0 "[ . 1 . 2]" 1
821 1 44 GLU HB2 1 77 ARG QB . . 4.610 4.237 3.858 4.558 . 0 0 "[ . 1 . 2]" 1
822 1 44 GLU HB2 1 77 ARG HE . . 4.620 2.963 1.916 4.622 0.002 12 0 "[ . 1 . 2]" 1
823 1 44 GLU HB2 1 77 ARG HG2 . . 4.380 2.290 2.001 2.824 . 0 0 "[ . 1 . 2]" 1
824 1 44 GLU HB2 1 77 ARG QG . . 3.760 2.130 1.795 2.463 . 0 0 "[ . 1 . 2]" 1
825 1 44 GLU HB2 1 77 ARG HG3 . . 4.380 2.626 2.001 3.311 . 0 0 "[ . 1 . 2]" 1
826 1 44 GLU HB3 1 45 TRP H . . 5.090 3.132 2.723 3.667 . 0 0 "[ . 1 . 2]" 1
827 1 44 GLU QG 1 45 TRP H . . 5.340 4.016 3.586 4.264 . 0 0 "[ . 1 . 2]" 1
828 1 44 GLU QG 1 54 ILE H . . 3.790 3.339 2.925 3.706 . 0 0 "[ . 1 . 2]" 1
829 1 44 GLU QG 1 54 ILE HA . . 3.680 2.230 2.030 2.552 . 0 0 "[ . 1 . 2]" 1
830 1 44 GLU QG 1 54 ILE MD . . 3.000 2.111 1.725 3.012 0.012 14 0 "[ . 1 . 2]" 1
831 1 44 GLU QG 1 54 ILE HG12 . . 4.410 3.034 1.780 3.782 . 0 0 "[ . 1 . 2]" 1
832 1 44 GLU QG 1 54 ILE MG . . 4.920 3.621 3.272 4.002 . 0 0 "[ . 1 . 2]" 1
833 1 44 GLU QG 1 55 CYS H . . 4.230 3.800 3.465 4.161 . 0 0 "[ . 1 . 2]" 1
834 1 44 GLU QG 1 56 TYR H . . 5.340 5.259 5.035 5.353 0.013 10 0 "[ . 1 . 2]" 1
835 1 44 GLU QG 1 77 ARG QB . . 5.340 5.236 4.965 5.347 0.007 10 0 "[ . 1 . 2]" 1
836 1 44 GLU QG 1 89 PHE QE . . 4.260 3.274 2.589 4.138 . 0 0 "[ . 1 . 2]" 1
837 1 44 GLU QG 1 89 PHE HZ . . 3.960 3.251 2.499 3.944 . 0 0 "[ . 1 . 2]" 1
838 1 44 GLU HG2 1 54 ILE HG12 . . 5.130 3.319 1.995 5.009 . 0 0 "[ . 1 . 2]" 1
839 1 44 GLU HG3 1 54 ILE HG12 . . 5.130 4.035 1.999 5.021 . 0 0 "[ . 1 . 2]" 1
840 1 45 TRP H 1 45 TRP HB2 . . 3.340 3.290 3.147 3.344 0.004 18 0 "[ . 1 . 2]" 1
841 1 45 TRP H 1 45 TRP HB3 . . 3.440 2.767 2.551 2.914 . 0 0 "[ . 1 . 2]" 1
842 1 45 TRP H 1 45 TRP HD1 . . 4.960 4.600 4.386 4.752 . 0 0 "[ . 1 . 2]" 1
843 1 45 TRP H 1 52 MET HB3 . . 4.770 4.029 3.153 4.472 . 0 0 "[ . 1 . 2]" 1
844 1 45 TRP H 1 53 GLN H . . 3.620 3.224 2.882 3.578 . 0 0 "[ . 1 . 2]" 1
845 1 45 TRP H 1 54 ILE HA . . 5.420 4.007 3.226 4.426 . 0 0 "[ . 1 . 2]" 1
846 1 45 TRP H 1 55 CYS H . . 4.060 3.441 2.578 4.041 . 0 0 "[ . 1 . 2]" 1
847 1 45 TRP HA 1 45 TRP HE3 . . 4.450 3.890 3.664 4.131 . 0 0 "[ . 1 . 2]" 1
848 1 45 TRP HA 1 46 GLY H . . 2.840 2.154 2.144 2.177 . 0 0 "[ . 1 . 2]" 1
849 1 45 TRP HA 1 46 GLY HA2 . . 5.110 4.400 4.381 4.424 . 0 0 "[ . 1 . 2]" 1
850 1 45 TRP HA 1 46 GLY HA3 . . 5.480 4.378 4.334 4.444 . 0 0 "[ . 1 . 2]" 1
851 1 45 TRP HA 1 52 MET ME . . 4.170 2.782 2.393 3.465 . 0 0 "[ . 1 . 2]" 1
852 1 45 TRP HA 1 76 CYS HA . . 3.420 2.734 2.453 2.953 . 0 0 "[ . 1 . 2]" 1
853 1 45 TRP HA 1 76 CYS HB2 . . 4.290 4.008 3.651 4.254 . 0 0 "[ . 1 . 2]" 1
854 1 45 TRP HA 1 76 CYS HB3 . . 4.290 3.833 3.513 4.235 . 0 0 "[ . 1 . 2]" 1
855 1 45 TRP HA 1 77 ARG H . . 4.540 4.223 3.716 4.540 . 0 0 "[ . 1 . 2]" 1
856 1 45 TRP HB2 1 45 TRP HE3 . . 3.970 2.409 2.399 2.433 . 0 0 "[ . 1 . 2]" 1
857 1 45 TRP HB2 1 46 GLY H . . 4.540 4.273 4.116 4.455 . 0 0 "[ . 1 . 2]" 1
858 1 45 TRP HB2 1 65 ILE MD . . 4.340 2.780 2.597 3.006 . 0 0 "[ . 1 . 2]" 1
859 1 45 TRP HB3 1 45 TRP HD1 . . 3.700 2.904 2.821 2.996 . 0 0 "[ . 1 . 2]" 1
860 1 45 TRP HB3 1 46 GLY H . . 4.560 4.293 4.118 4.416 . 0 0 "[ . 1 . 2]" 1
861 1 45 TRP HB3 1 53 GLN H . . 5.500 5.376 5.211 5.498 . 0 0 "[ . 1 . 2]" 1
862 1 45 TRP HB3 1 65 ILE MD . . 4.080 3.051 2.726 3.358 . 0 0 "[ . 1 . 2]" 1
863 1 45 TRP HD1 1 46 GLY H . . 4.720 3.459 2.898 3.806 . 0 0 "[ . 1 . 2]" 1
864 1 45 TRP HD1 1 46 GLY HA2 . . 4.360 2.861 2.566 3.139 . 0 0 "[ . 1 . 2]" 1
865 1 45 TRP HD1 1 46 GLY HA3 . . 4.540 4.276 3.873 4.544 0.004 18 0 "[ . 1 . 2]" 1
866 1 45 TRP HD1 1 65 ILE MD . . 4.710 4.196 3.778 4.461 . 0 0 "[ . 1 . 2]" 1
867 1 45 TRP HD1 1 65 ILE MG . . 4.800 4.363 3.974 4.649 . 0 0 "[ . 1 . 2]" 1
868 1 45 TRP HD1 1 68 LEU MD2 . . 4.360 4.066 3.716 4.362 0.002 18 0 "[ . 1 . 2]" 1
869 1 45 TRP HE1 1 46 GLY HA2 . . 5.240 4.603 4.244 5.077 . 0 0 "[ . 1 . 2]" 1
870 1 45 TRP HE1 1 65 ILE MD . . 4.610 4.296 3.928 4.552 . 0 0 "[ . 1 . 2]" 1
871 1 45 TRP HE1 1 65 ILE MG . . 4.080 3.771 3.422 3.974 . 0 0 "[ . 1 . 2]" 1
872 1 45 TRP HE1 1 68 LEU MD1 . . 4.270 3.839 3.530 4.159 . 0 0 "[ . 1 . 2]" 1
873 1 45 TRP HE1 1 68 LEU MD2 . . 3.040 2.469 2.103 2.728 . 0 0 "[ . 1 . 2]" 1
874 1 45 TRP HE1 1 74 TYR HA . . 5.500 4.850 4.411 5.320 . 0 0 "[ . 1 . 2]" 1
875 1 45 TRP HE1 1 74 TYR HB3 . . 4.370 3.339 2.850 3.820 . 0 0 "[ . 1 . 2]" 1
876 1 45 TRP HE1 1 74 TYR HD1 . . 4.120 2.249 1.931 2.806 . 0 0 "[ . 1 . 2]" 1
877 1 45 TRP HE3 1 65 ILE MD . . 4.260 2.408 2.184 2.709 . 0 0 "[ . 1 . 2]" 1
878 1 45 TRP HE3 1 76 CYS HA . . 4.810 4.024 3.485 4.476 . 0 0 "[ . 1 . 2]" 1
879 1 45 TRP HE3 1 76 CYS HB2 . . 3.740 2.727 2.169 3.222 . 0 0 "[ . 1 . 2]" 1
880 1 45 TRP HE3 1 76 CYS HB3 . . 3.740 2.367 2.043 2.852 . 0 0 "[ . 1 . 2]" 1
881 1 45 TRP HH2 1 65 ILE MG . . 4.890 4.434 4.099 4.829 . 0 0 "[ . 1 . 2]" 1
882 1 45 TRP HH2 1 68 LEU MD1 . . 4.080 3.484 3.038 3.793 . 0 0 "[ . 1 . 2]" 1
883 1 45 TRP HH2 1 68 LEU MD2 . . 4.960 4.630 4.189 4.936 . 0 0 "[ . 1 . 2]" 1
884 1 45 TRP HH2 1 74 TYR HB2 . . 4.640 4.010 3.434 4.353 . 0 0 "[ . 1 . 2]" 1
885 1 45 TRP HH2 1 95 CYS QB . . 4.840 4.499 3.991 4.842 0.002 14 0 "[ . 1 . 2]" 1
886 1 45 TRP HZ2 1 65 ILE MG . . 4.630 3.788 3.472 4.078 . 0 0 "[ . 1 . 2]" 1
887 1 45 TRP HZ2 1 68 LEU MD1 . . 3.450 2.484 2.213 2.784 . 0 0 "[ . 1 . 2]" 1
888 1 45 TRP HZ2 1 68 LEU MD2 . . 3.400 2.887 2.453 3.185 . 0 0 "[ . 1 . 2]" 1
889 1 45 TRP HZ2 1 74 TYR HB2 . . 4.390 3.154 2.865 3.566 . 0 0 "[ . 1 . 2]" 1
890 1 45 TRP HZ2 1 74 TYR HB3 . . 4.580 2.863 2.440 3.180 . 0 0 "[ . 1 . 2]" 1
891 1 45 TRP HZ3 1 76 CYS HB2 . . 4.550 4.083 3.452 4.490 . 0 0 "[ . 1 . 2]" 1
892 1 45 TRP HZ3 1 76 CYS QB . . 3.990 3.041 2.599 3.454 . 0 0 "[ . 1 . 2]" 1
893 1 45 TRP HZ3 1 76 CYS HB3 . . 4.550 3.139 2.687 3.590 . 0 0 "[ . 1 . 2]" 1
894 1 46 GLY H 1 52 MET HA . . 4.320 4.038 3.503 4.323 0.003 10 0 "[ . 1 . 2]" 1
895 1 46 GLY H 1 52 MET HB2 . . 5.400 5.250 4.639 5.436 0.036 13 0 "[ . 1 . 2]" 1
896 1 46 GLY H 1 52 MET HB3 . . 4.460 3.983 3.221 4.355 . 0 0 "[ . 1 . 2]" 1
897 1 46 GLY H 1 52 MET ME . . 4.240 2.844 2.255 3.774 . 0 0 "[ . 1 . 2]" 1
898 1 46 GLY H 1 52 MET QG . . 3.690 2.724 2.313 3.724 0.034 18 0 "[ . 1 . 2]" 1
899 1 46 GLY H 1 75 TYR H . . 3.550 3.295 3.001 3.552 0.002 7 0 "[ . 1 . 2]" 1
900 1 46 GLY H 1 75 TYR HB2 . . 4.500 3.807 3.418 4.415 . 0 0 "[ . 1 . 2]" 1
901 1 46 GLY H 1 76 CYS HA . . 4.350 4.080 3.692 4.352 0.002 7 0 "[ . 1 . 2]" 1
902 1 46 GLY HA3 1 48 VAL H . . 4.330 3.914 3.528 4.309 . 0 0 "[ . 1 . 2]" 1
903 1 46 GLY HA3 1 52 MET HA . . 3.770 2.320 2.041 2.666 . 0 0 "[ . 1 . 2]" 1
904 1 46 GLY HA3 1 52 MET ME . . 4.730 4.235 3.678 4.754 0.024 18 0 "[ . 1 . 2]" 1
905 1 46 GLY HA3 1 52 MET QG . . 4.190 2.546 2.047 3.218 . 0 0 "[ . 1 . 2]" 1
906 1 46 GLY HA3 1 53 GLN H . . 4.150 3.655 3.264 4.068 . 0 0 "[ . 1 . 2]" 1
907 1 47 GLY H 1 48 VAL H . . 4.000 3.015 2.198 3.280 . 0 0 "[ . 1 . 2]" 1
908 1 47 GLY QA 1 48 VAL HB . . 5.210 4.382 3.997 4.863 . 0 0 "[ . 1 . 2]" 1
909 1 47 GLY QA 1 48 VAL QG . . 4.660 3.624 2.950 3.994 . 0 0 "[ . 1 . 2]" 1
910 1 47 GLY QA 1 75 TYR QD . . 5.160 4.144 3.539 4.871 . 0 0 "[ . 1 . 2]" 1
911 1 48 VAL H 1 48 VAL HB . . 3.460 2.573 2.356 2.965 . 0 0 "[ . 1 . 2]" 1
912 1 48 VAL H 1 48 VAL QG . . 3.190 2.709 2.170 2.966 . 0 0 "[ . 1 . 2]" 1
913 1 48 VAL H 1 49 GLU H . . 4.750 4.414 4.290 4.521 . 0 0 "[ . 1 . 2]" 1
914 1 48 VAL HA 1 48 VAL MG1 . . 3.420 2.642 2.015 3.195 . 0 0 "[ . 1 . 2]" 1
915 1 48 VAL HA 1 48 VAL QG . . 2.880 2.042 1.954 2.224 . 0 0 "[ . 1 . 2]" 1
916 1 48 VAL HA 1 48 VAL MG2 . . 3.420 2.162 2.095 2.627 . 0 0 "[ . 1 . 2]" 1
917 1 48 VAL HA 1 49 GLU H . . 3.130 2.214 2.141 2.458 . 0 0 "[ . 1 . 2]" 1
918 1 48 VAL HA 1 75 TYR QD . . 4.480 2.752 2.257 3.290 . 0 0 "[ . 1 . 2]" 1
919 1 48 VAL HA 1 75 TYR QE . . 3.780 2.297 1.999 2.899 . 0 0 "[ . 1 . 2]" 1
920 1 48 VAL HB 1 49 GLU H . . 4.460 4.183 3.042 4.391 . 0 0 "[ . 1 . 2]" 1
921 1 48 VAL HB 1 50 GLY QA . . 5.500 4.698 3.733 5.496 . 0 0 "[ . 1 . 2]" 1
922 1 48 VAL HB 1 51 SER H . . 5.000 3.510 2.919 4.593 . 0 0 "[ . 1 . 2]" 1
923 1 48 VAL HB 1 51 SER QB . . 4.290 3.591 3.059 4.299 0.009 14 0 "[ . 1 . 2]" 1
924 1 48 VAL QG 1 49 GLU H . . 3.500 2.361 1.856 2.658 . 0 0 "[ . 1 . 2]" 1
925 1 48 VAL QG 1 49 GLU QG . . 3.900 2.910 2.057 3.861 . 0 0 "[ . 1 . 2]" 1
926 1 48 VAL QG 1 50 GLY H . . 3.540 1.782 1.677 2.703 . 0 0 "[ . 1 . 2]" 1
927 1 48 VAL QG 1 50 GLY QA . . 3.960 2.479 2.292 3.902 . 0 0 "[ . 1 . 2]" 1
928 1 48 VAL QG 1 51 SER H . . 4.050 2.220 1.807 3.725 . 0 0 "[ . 1 . 2]" 1
929 1 48 VAL QG 1 51 SER QB . . 3.590 3.002 1.930 3.492 . 0 0 "[ . 1 . 2]" 1
930 1 48 VAL QG 1 73 THR HB . . 4.070 4.004 3.829 4.074 0.004 10 0 "[ . 1 . 2]" 1
931 1 48 VAL QG 1 75 TYR QE . . 3.490 2.923 2.028 3.490 0.000 18 0 "[ . 1 . 2]" 1
932 1 48 VAL MG1 1 49 GLU H . . 4.250 2.705 1.988 3.309 . 0 0 "[ . 1 . 2]" 1
933 1 48 VAL MG1 1 50 GLY H . . 4.540 1.807 1.678 2.737 . 0 0 "[ . 1 . 2]" 1
934 1 48 VAL MG1 1 50 GLY QA . . 4.810 2.506 2.297 4.126 . 0 0 "[ . 1 . 2]" 1
935 1 48 VAL MG1 1 51 SER H . . 4.630 2.251 1.811 4.247 . 0 0 "[ . 1 . 2]" 1
936 1 48 VAL MG1 1 75 TYR QE . . 4.480 3.897 2.073 4.480 0.000 19 0 "[ . 1 . 2]" 1
937 1 48 VAL MG2 1 49 GLU H . . 4.250 3.348 1.871 3.981 . 0 0 "[ . 1 . 2]" 1
938 1 48 VAL MG2 1 50 GLY H . . 4.540 3.706 2.045 4.200 . 0 0 "[ . 1 . 2]" 1
939 1 48 VAL MG2 1 50 GLY QA . . 4.810 4.566 3.532 4.877 0.067 18 0 "[ . 1 . 2]" 1
940 1 48 VAL MG2 1 51 SER H . . 4.630 4.361 3.728 4.640 0.010 6 0 "[ . 1 . 2]" 1
941 1 48 VAL MG2 1 75 TYR QE . . 4.480 3.193 2.032 3.932 . 0 0 "[ . 1 . 2]" 1
942 1 49 GLU H 1 49 GLU HB2 . . 3.730 3.415 2.653 3.603 . 0 0 "[ . 1 . 2]" 1
943 1 49 GLU H 1 49 GLU HB3 . . 3.730 2.537 2.262 3.586 . 0 0 "[ . 1 . 2]" 1
944 1 49 GLU H 1 49 GLU HG2 . . 4.830 2.863 1.901 4.278 . 0 0 "[ . 1 . 2]" 1
945 1 49 GLU H 1 49 GLU QG . . 4.030 2.535 1.884 3.890 . 0 0 "[ . 1 . 2]" 1
946 1 49 GLU H 1 49 GLU HG3 . . 4.830 3.246 1.898 4.472 . 0 0 "[ . 1 . 2]" 1
947 1 49 GLU H 1 50 GLY H . . 3.830 2.808 2.699 2.915 . 0 0 "[ . 1 . 2]" 1
948 1 49 GLU H 1 75 TYR QD . . 4.940 2.688 2.175 3.438 . 0 0 "[ . 1 . 2]" 1
949 1 49 GLU H 1 75 TYR QE . . 4.490 2.485 1.983 3.199 . 0 0 "[ . 1 . 2]" 1
950 1 49 GLU HA 1 50 GLY H . . 3.570 3.503 3.466 3.550 . 0 0 "[ . 1 . 2]" 1
951 1 49 GLU HA 1 52 MET ME . . 4.330 3.697 2.773 4.257 . 0 0 "[ . 1 . 2]" 1
952 1 49 GLU HA 1 52 MET QG . . 4.330 2.781 2.334 3.128 . 0 0 "[ . 1 . 2]" 1
953 1 49 GLU QB 1 50 GLY H . . 4.020 3.353 2.688 3.598 . 0 0 "[ . 1 . 2]" 1
954 1 49 GLU QG 1 50 GLY H . . 4.530 2.473 1.931 3.970 . 0 0 "[ . 1 . 2]" 1
955 1 49 GLU QG 1 51 SER H . . 5.340 4.612 4.162 5.357 0.017 6 0 "[ . 1 . 2]" 1
956 1 50 GLY H 1 51 SER H . . 4.050 2.694 2.504 2.825 . 0 0 "[ . 1 . 2]" 1
957 1 50 GLY QA 1 51 SER H . . 3.460 2.787 2.731 2.907 . 0 0 "[ . 1 . 2]" 1
958 1 51 SER H 1 51 SER QB . . 3.620 2.510 2.325 2.647 . 0 0 "[ . 1 . 2]" 1
959 1 51 SER H 1 52 MET H . . 4.350 4.071 3.917 4.285 . 0 0 "[ . 1 . 2]" 1
960 1 51 SER H 1 52 MET HB2 . . 5.500 5.284 4.858 5.519 0.019 18 0 "[ . 1 . 2]" 1
961 1 51 SER HA 1 52 MET H . . 3.230 2.159 2.139 2.192 . 0 0 "[ . 1 . 2]" 1
962 1 51 SER QB 1 52 MET H . . 4.030 3.786 3.436 3.980 . 0 0 "[ . 1 . 2]" 1
963 1 51 SER HB2 1 52 MET H . . 4.760 4.417 4.144 4.595 . 0 0 "[ . 1 . 2]" 1
964 1 51 SER HB3 1 52 MET H . . 4.760 4.184 3.568 4.545 . 0 0 "[ . 1 . 2]" 1
965 1 52 MET H 1 52 MET HB2 . . 3.580 2.737 2.508 2.995 . 0 0 "[ . 1 . 2]" 1
966 1 52 MET H 1 52 MET HB3 . . 4.020 3.819 3.653 3.972 . 0 0 "[ . 1 . 2]" 1
967 1 52 MET H 1 52 MET ME . . 5.500 5.250 4.470 5.488 . 0 0 "[ . 1 . 2]" 1
968 1 52 MET H 1 52 MET QG . . 3.460 3.190 2.827 3.438 . 0 0 "[ . 1 . 2]" 1
969 1 52 MET HA 1 52 MET ME . . 4.460 4.151 3.846 4.439 . 0 0 "[ . 1 . 2]" 1
970 1 52 MET HA 1 52 MET HG2 . . 3.910 2.613 2.288 2.828 . 0 0 "[ . 1 . 2]" 1
971 1 52 MET HA 1 52 MET HG3 . . 3.910 2.992 2.502 3.715 . 0 0 "[ . 1 . 2]" 1
972 1 52 MET HA 1 53 GLN H . . 3.010 2.290 2.180 2.480 . 0 0 "[ . 1 . 2]" 1
973 1 52 MET HB2 1 53 GLN H . . 4.120 3.910 3.522 4.139 0.019 18 0 "[ . 1 . 2]" 1
974 1 52 MET HB3 1 53 GLN H . . 3.620 2.763 2.262 3.116 . 0 0 "[ . 1 . 2]" 1
975 1 52 MET ME 1 75 TYR HA . . 4.550 4.075 3.571 4.467 . 0 0 "[ . 1 . 2]" 1
976 1 52 MET ME 1 75 TYR HB2 . . 4.370 2.635 2.112 3.192 . 0 0 "[ . 1 . 2]" 1
977 1 52 MET ME 1 75 TYR HB3 . . 4.290 2.854 2.283 3.236 . 0 0 "[ . 1 . 2]" 1
978 1 52 MET ME 1 75 TYR QD . . 4.680 4.218 3.914 4.514 . 0 0 "[ . 1 . 2]" 1
979 1 52 MET ME 1 76 CYS H . . 3.620 3.210 2.938 3.517 . 0 0 "[ . 1 . 2]" 1
980 1 52 MET ME 1 76 CYS HA . . 3.540 2.319 2.064 2.619 . 0 0 "[ . 1 . 2]" 1
981 1 52 MET ME 1 76 CYS HB2 . . 4.670 4.271 3.921 4.494 . 0 0 "[ . 1 . 2]" 1
982 1 52 MET ME 1 76 CYS QB . . 4.050 3.797 3.543 3.993 . 0 0 "[ . 1 . 2]" 1
983 1 52 MET ME 1 76 CYS HB3 . . 4.670 4.256 4.038 4.526 . 0 0 "[ . 1 . 2]" 1
984 1 52 MET ME 1 77 ARG H . . 3.650 2.851 2.526 3.163 . 0 0 "[ . 1 . 2]" 1
985 1 52 MET ME 1 77 ARG HA . . 5.030 4.344 4.060 4.572 . 0 0 "[ . 1 . 2]" 1
986 1 52 MET ME 1 77 ARG QD . . 4.020 3.089 2.094 4.009 . 0 0 "[ . 1 . 2]" 1
987 1 52 MET ME 1 77 ARG HE . . 3.790 2.617 2.010 3.765 . 0 0 "[ . 1 . 2]" 1
988 1 52 MET ME 1 77 ARG HG2 . . 4.340 2.246 1.858 2.864 . 0 0 "[ . 1 . 2]" 1
989 1 52 MET ME 1 77 ARG QG . . 3.770 2.226 1.846 2.808 . 0 0 "[ . 1 . 2]" 1
990 1 52 MET ME 1 77 ARG HG3 . . 4.340 3.679 3.201 4.045 . 0 0 "[ . 1 . 2]" 1
991 1 52 MET ME 1 92 VAL HA . . 4.990 4.439 3.741 4.778 . 0 0 "[ . 1 . 2]" 1
992 1 52 MET ME 1 92 VAL MG1 . . 3.670 3.205 2.787 3.609 . 0 0 "[ . 1 . 2]" 1
993 1 52 MET ME 1 92 VAL MG2 . . 3.970 3.513 2.658 3.926 . 0 0 "[ . 1 . 2]" 1
994 1 53 GLN H 1 53 GLN HB2 . . 3.950 3.315 2.549 3.935 . 0 0 "[ . 1 . 2]" 1
995 1 53 GLN H 1 53 GLN QB . . 3.310 2.887 2.479 3.228 . 0 0 "[ . 1 . 2]" 1
996 1 53 GLN H 1 53 GLN HB3 . . 3.950 3.527 2.537 3.920 . 0 0 "[ . 1 . 2]" 1
997 1 53 GLN H 1 53 GLN QG . . 3.800 3.001 2.230 3.763 . 0 0 "[ . 1 . 2]" 1
998 1 53 GLN H 1 54 ILE H . . 4.810 4.415 4.386 4.469 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLN QB 1 54 ILE H . . 3.170 2.375 2.060 3.194 0.024 17 0 "[ . 1 . 2]" 1
1000 1 53 GLN QB 1 54 ILE HG12 . . 5.340 4.229 3.725 5.314 . 0 0 "[ . 1 . 2]" 1
1001 1 53 GLN HB2 1 54 ILE H . . 3.840 3.042 2.123 3.804 . 0 0 "[ . 1 . 2]" 1
1002 1 53 GLN HB3 1 54 ILE H . . 3.840 3.059 2.078 3.833 . 0 0 "[ . 1 . 2]" 1
1003 1 53 GLN QG 1 54 ILE H . . 4.200 3.600 1.824 4.154 . 0 0 "[ . 1 . 2]" 1
1004 1 54 ILE H 1 54 ILE HB . . 2.970 2.596 2.423 2.658 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ILE H 1 54 ILE MD . . 3.960 3.356 2.812 3.980 0.020 10 0 "[ . 1 . 2]" 1
1006 1 54 ILE H 1 54 ILE HG12 . . 3.700 2.108 1.907 3.431 . 0 0 "[ . 1 . 2]" 1
1007 1 54 ILE H 1 54 ILE HG13 . . 3.630 3.314 2.472 3.588 . 0 0 "[ . 1 . 2]" 1
1008 1 54 ILE H 1 54 ILE MG . . 3.830 3.764 3.748 3.773 . 0 0 "[ . 1 . 2]" 1
1009 1 54 ILE HA 1 54 ILE MD . . 3.730 2.328 2.009 3.648 . 0 0 "[ . 1 . 2]" 1
1010 1 54 ILE HA 1 54 ILE HG12 . . 4.000 2.916 2.306 3.263 . 0 0 "[ . 1 . 2]" 1
1011 1 54 ILE HA 1 54 ILE HG13 . . 4.110 3.728 3.187 3.821 . 0 0 "[ . 1 . 2]" 1
1012 1 54 ILE HA 1 54 ILE MG . . 3.500 2.313 2.190 2.487 . 0 0 "[ . 1 . 2]" 1
1013 1 54 ILE HA 1 55 CYS H . . 2.950 2.164 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
1014 1 54 ILE HA 1 56 TYR H . . 3.890 3.827 3.622 3.893 0.003 5 0 "[ . 1 . 2]" 1
1015 1 54 ILE HB 1 54 ILE MD . . 3.310 3.153 2.623 3.227 . 0 0 "[ . 1 . 2]" 1
1016 1 54 ILE HB 1 55 CYS H . . 4.630 4.211 3.974 4.356 . 0 0 "[ . 1 . 2]" 1
1017 1 54 ILE MD 1 55 CYS H . . 4.550 3.879 3.396 4.557 0.007 10 0 "[ . 1 . 2]" 1
1018 1 54 ILE MD 1 57 CYS QB . . 4.890 4.287 3.562 4.842 . 0 0 "[ . 1 . 2]" 1
1019 1 54 ILE MD 1 89 PHE HZ . . 4.480 3.655 2.972 4.344 . 0 0 "[ . 1 . 2]" 1
1020 1 54 ILE HG12 1 54 ILE MG . . 3.510 3.120 2.538 3.198 . 0 0 "[ . 1 . 2]" 1
1021 1 54 ILE HG12 1 55 CYS H . . 5.260 4.938 4.097 5.257 . 0 0 "[ . 1 . 2]" 1
1022 1 54 ILE MG 1 55 CYS H . . 3.690 2.727 2.313 3.181 . 0 0 "[ . 1 . 2]" 1
1023 1 54 ILE MG 1 55 CYS HA . . 4.270 3.914 3.341 4.213 . 0 0 "[ . 1 . 2]" 1
1024 1 54 ILE MG 1 56 TYR H . . 3.360 2.846 2.415 3.180 . 0 0 "[ . 1 . 2]" 1
1025 1 54 ILE MG 1 57 CYS HA . . 4.920 3.916 3.687 4.208 . 0 0 "[ . 1 . 2]" 1
1026 1 54 ILE MG 1 57 CYS HB2 . . 4.450 3.475 2.334 4.387 . 0 0 "[ . 1 . 2]" 1
1027 1 54 ILE MG 1 57 CYS QB . . 3.650 2.772 2.299 3.652 0.002 5 0 "[ . 1 . 2]" 1
1028 1 54 ILE MG 1 57 CYS HB3 . . 4.450 3.185 2.459 4.426 . 0 0 "[ . 1 . 2]" 1
1029 1 55 CYS H 1 55 CYS HB2 . . 4.180 2.649 2.221 3.753 . 0 0 "[ . 1 . 2]" 1
1030 1 55 CYS H 1 55 CYS QB . . 3.620 2.412 2.197 2.935 . 0 0 "[ . 1 . 2]" 1
1031 1 55 CYS H 1 55 CYS HB3 . . 4.180 3.142 2.630 3.675 . 0 0 "[ . 1 . 2]" 1
1032 1 55 CYS H 1 56 TYR H . . 3.040 2.158 1.794 2.502 . 0 0 "[ . 1 . 2]" 1
1033 1 55 CYS QB 1 63 TYR QE . . 4.040 3.562 2.904 4.038 . 0 0 "[ . 1 . 2]" 1
1034 1 55 CYS QB 1 65 ILE MD . . 4.050 3.503 3.149 3.902 . 0 0 "[ . 1 . 2]" 1
1035 1 55 CYS HB2 1 56 TYR H . . 4.670 3.351 2.767 3.935 . 0 0 "[ . 1 . 2]" 1
1036 1 55 CYS HB2 1 65 ILE MD . . 4.600 4.018 3.455 4.497 . 0 0 "[ . 1 . 2]" 1
1037 1 55 CYS HB3 1 56 TYR H . . 4.670 3.174 2.480 4.064 . 0 0 "[ . 1 . 2]" 1
1038 1 55 CYS HB3 1 65 ILE MD . . 4.600 3.908 3.357 4.596 . 0 0 "[ . 1 . 2]" 1
1039 1 56 TYR H 1 56 TYR HB2 . . 4.050 3.412 3.256 3.557 . 0 0 "[ . 1 . 2]" 1
1040 1 56 TYR H 1 56 TYR QB . . 3.540 2.618 2.554 2.657 . 0 0 "[ . 1 . 2]" 1
1041 1 56 TYR H 1 56 TYR HB3 . . 4.050 2.721 2.666 2.795 . 0 0 "[ . 1 . 2]" 1
1042 1 56 TYR H 1 56 TYR QD . . 4.670 4.121 3.817 4.308 . 0 0 "[ . 1 . 2]" 1
1043 1 56 TYR H 1 57 CYS H . . 4.500 4.333 4.261 4.381 . 0 0 "[ . 1 . 2]" 1
1044 1 56 TYR HA 1 56 TYR QD . . 4.270 3.053 2.709 3.297 . 0 0 "[ . 1 . 2]" 1
1045 1 56 TYR HA 1 57 CYS H . . 2.750 2.208 2.167 2.244 . 0 0 "[ . 1 . 2]" 1
1046 1 56 TYR HA 1 57 CYS HA . . 4.870 4.424 4.406 4.435 . 0 0 "[ . 1 . 2]" 1
1047 1 56 TYR HA 1 57 CYS HB2 . . 5.500 5.120 4.172 5.559 0.059 10 0 "[ . 1 . 2]" 1
1048 1 56 TYR HA 1 57 CYS QB . . 4.790 4.088 3.969 4.613 . 0 0 "[ . 1 . 2]" 1
1049 1 56 TYR HA 1 57 CYS HB3 . . 5.500 4.505 4.124 5.553 0.053 14 0 "[ . 1 . 2]" 1
1050 1 56 TYR HA 1 63 TYR QE . . 5.260 4.709 4.174 5.250 . 0 0 "[ . 1 . 2]" 1
1051 1 56 TYR QB 1 57 CYS H . . 3.930 3.589 3.511 3.693 . 0 0 "[ . 1 . 2]" 1
1052 1 56 TYR QB 1 63 TYR QD . . 4.430 3.114 2.684 3.403 . 0 0 "[ . 1 . 2]" 1
1053 1 56 TYR QB 1 63 TYR QE . . 4.560 3.115 2.898 3.496 . 0 0 "[ . 1 . 2]" 1
1054 1 56 TYR HB2 1 57 CYS H . . 4.620 3.948 3.773 4.122 . 0 0 "[ . 1 . 2]" 1
1055 1 56 TYR HB3 1 57 CYS H . . 4.620 4.128 4.060 4.242 . 0 0 "[ . 1 . 2]" 1
1056 1 56 TYR QD 1 57 CYS H . . 4.030 3.284 2.915 3.432 . 0 0 "[ . 1 . 2]" 1
1057 1 56 TYR QE 1 57 CYS H . . 4.990 4.184 3.909 4.354 . 0 0 "[ . 1 . 2]" 1
1058 1 56 TYR QE 1 58 GLY H . . 3.950 3.659 3.194 3.933 . 0 0 "[ . 1 . 2]" 1
1059 1 56 TYR QE 1 58 GLY QA . . 4.030 3.448 2.885 3.731 . 0 0 "[ . 1 . 2]" 1
1060 1 56 TYR QE 1 60 GLY H . . 3.840 3.536 3.249 3.825 . 0 0 "[ . 1 . 2]" 1
1061 1 56 TYR QE 1 60 GLY HA3 . . 4.680 3.402 3.147 3.787 . 0 0 "[ . 1 . 2]" 1
1062 1 57 CYS H 1 57 CYS HB2 . . 4.000 3.545 2.615 3.898 . 0 0 "[ . 1 . 2]" 1
1063 1 57 CYS H 1 57 CYS QB . . 3.370 2.789 2.561 2.957 . 0 0 "[ . 1 . 2]" 1
1064 1 57 CYS H 1 57 CYS HB3 . . 4.000 3.073 2.733 3.897 . 0 0 "[ . 1 . 2]" 1
1065 1 57 CYS H 1 58 GLY H . . 5.000 4.274 4.094 4.429 . 0 0 "[ . 1 . 2]" 1
1066 1 57 CYS HA 1 58 GLY H . . 2.980 2.180 2.143 2.329 . 0 0 "[ . 1 . 2]" 1
1067 1 57 CYS HA 1 58 GLY QA . . 5.070 3.928 3.910 3.991 . 0 0 "[ . 1 . 2]" 1
1068 1 57 CYS QB 1 58 GLY H . . 4.060 3.290 2.748 3.864 . 0 0 "[ . 1 . 2]" 1
1069 1 57 CYS QB 1 58 GLY QA . . 5.340 4.084 3.654 4.281 . 0 0 "[ . 1 . 2]" 1
1070 1 57 CYS HB2 1 58 GLY H . . 4.680 3.614 2.793 4.522 . 0 0 "[ . 1 . 2]" 1
1071 1 57 CYS HB3 1 58 GLY H . . 4.680 4.122 2.943 4.382 . 0 0 "[ . 1 . 2]" 1
1072 1 58 GLY QA 1 59 PRO HD2 . . 3.400 2.224 2.195 2.239 . 0 0 "[ . 1 . 2]" 1
1073 1 58 GLY QA 1 59 PRO HD3 . . 3.400 2.350 2.283 2.396 . 0 0 "[ . 1 . 2]" 1
1074 1 58 GLY QA 1 59 PRO QG . . 4.460 3.699 3.693 3.700 . 0 0 "[ . 1 . 2]" 1
1075 1 58 GLY QA 1 60 GLY H . . 4.210 2.979 2.867 3.145 . 0 0 "[ . 1 . 2]" 1
1076 1 59 PRO QG 1 60 GLY H . . 4.060 2.898 2.560 3.268 . 0 0 "[ . 1 . 2]" 1
1077 1 60 GLY H 1 61 LEU H . . 4.670 4.642 4.616 4.649 . 0 0 "[ . 1 . 2]" 1
1078 1 60 GLY HA2 1 61 LEU H . . 3.060 2.380 2.305 2.479 . 0 0 "[ . 1 . 2]" 1
1079 1 60 GLY HA2 1 61 LEU MD1 . . 4.940 4.728 4.350 4.937 . 0 0 "[ . 1 . 2]" 1
1080 1 60 GLY HA2 1 62 SER H . . 4.350 3.986 3.837 4.156 . 0 0 "[ . 1 . 2]" 1
1081 1 60 GLY HA3 1 61 LEU H . . 3.250 2.767 2.651 2.863 . 0 0 "[ . 1 . 2]" 1
1082 1 60 GLY HA3 1 62 SER H . . 4.080 3.502 3.347 3.905 . 0 0 "[ . 1 . 2]" 1
1083 1 61 LEU H 1 61 LEU HB2 . . 3.290 2.627 2.443 2.801 . 0 0 "[ . 1 . 2]" 1
1084 1 61 LEU H 1 61 LEU HB3 . . 3.940 3.762 3.660 3.854 . 0 0 "[ . 1 . 2]" 1
1085 1 61 LEU H 1 61 LEU MD1 . . 4.120 3.955 3.634 4.102 . 0 0 "[ . 1 . 2]" 1
1086 1 61 LEU H 1 61 LEU MD2 . . 4.000 3.904 3.778 3.992 . 0 0 "[ . 1 . 2]" 1
1087 1 61 LEU H 1 61 LEU HG . . 3.410 2.972 2.752 3.121 . 0 0 "[ . 1 . 2]" 1
1088 1 61 LEU H 1 62 SER H . . 3.010 2.016 1.796 2.489 . 0 0 "[ . 1 . 2]" 1
1089 1 61 LEU HA 1 61 LEU MD1 . . 4.100 3.908 3.856 3.978 . 0 0 "[ . 1 . 2]" 1
1090 1 61 LEU HA 1 61 LEU MD2 . . 3.060 2.141 1.978 2.486 . 0 0 "[ . 1 . 2]" 1
1091 1 61 LEU HA 1 61 LEU HG . . 3.810 3.046 2.935 3.147 . 0 0 "[ . 1 . 2]" 1
1092 1 61 LEU HB2 1 62 SER H . . 4.320 3.468 2.889 4.046 . 0 0 "[ . 1 . 2]" 1
1093 1 61 LEU HB3 1 61 LEU MD1 . . 3.310 2.423 2.308 2.604 . 0 0 "[ . 1 . 2]" 1
1094 1 61 LEU HB3 1 61 LEU MD2 . . 3.270 2.299 2.159 2.371 . 0 0 "[ . 1 . 2]" 1
1095 1 61 LEU HB3 1 62 SER H . . 4.730 4.197 3.885 4.493 . 0 0 "[ . 1 . 2]" 1
1096 1 61 LEU MD2 1 62 SER H . . 5.020 4.777 4.714 4.914 . 0 0 "[ . 1 . 2]" 1
1097 1 61 LEU HG 1 62 SER H . . 4.710 4.633 4.402 4.714 0.004 3 0 "[ . 1 . 2]" 1
1098 1 62 SER H 1 62 SER HB2 . . 4.020 3.590 2.727 3.998 . 0 0 "[ . 1 . 2]" 1
1099 1 62 SER H 1 62 SER QB . . 3.470 3.071 2.672 3.372 . 0 0 "[ . 1 . 2]" 1
1100 1 62 SER H 1 62 SER HB3 . . 4.020 3.527 3.030 3.981 . 0 0 "[ . 1 . 2]" 1
1101 1 62 SER H 1 63 TYR H . . 4.510 4.265 4.044 4.431 . 0 0 "[ . 1 . 2]" 1
1102 1 62 SER HA 1 63 TYR H . . 2.850 2.186 2.150 2.238 . 0 0 "[ . 1 . 2]" 1
1103 1 62 SER QB 1 63 TYR H . . 3.330 3.018 2.873 3.182 . 0 0 "[ . 1 . 2]" 1
1104 1 62 SER HB2 1 63 TYR H . . 4.130 3.401 3.000 4.132 0.002 18 0 "[ . 1 . 2]" 1
1105 1 62 SER HB3 1 63 TYR H . . 4.130 3.781 2.931 4.130 . 0 0 "[ . 1 . 2]" 1
1106 1 63 TYR H 1 63 TYR HB2 . . 4.050 3.302 3.170 3.435 . 0 0 "[ . 1 . 2]" 1
1107 1 63 TYR H 1 63 TYR QB . . 3.540 2.653 2.539 2.693 . 0 0 "[ . 1 . 2]" 1
1108 1 63 TYR H 1 63 TYR HB3 . . 4.050 2.797 2.651 2.866 . 0 0 "[ . 1 . 2]" 1
1109 1 63 TYR H 1 63 TYR QD . . 4.730 4.378 4.289 4.432 . 0 0 "[ . 1 . 2]" 1
1110 1 63 TYR H 1 64 GLU H . . 4.790 4.306 4.062 4.439 . 0 0 "[ . 1 . 2]" 1
1111 1 63 TYR HA 1 63 TYR QD . . 3.410 2.573 2.242 2.884 . 0 0 "[ . 1 . 2]" 1
1112 1 63 TYR HA 1 63 TYR QE . . 5.500 4.578 4.480 4.713 . 0 0 "[ . 1 . 2]" 1
1113 1 63 TYR HA 1 64 GLU H . . 2.840 2.210 2.140 2.278 . 0 0 "[ . 1 . 2]" 1
1114 1 63 TYR HA 1 64 GLU QB . . 4.200 4.012 3.963 4.097 . 0 0 "[ . 1 . 2]" 1
1115 1 63 TYR QB 1 64 GLU H . . 3.930 3.613 3.472 3.861 . 0 0 "[ . 1 . 2]" 1
1116 1 63 TYR HB2 1 64 GLU H . . 4.600 4.069 3.886 4.386 . 0 0 "[ . 1 . 2]" 1
1117 1 63 TYR HB3 1 64 GLU H . . 4.600 4.046 3.825 4.285 . 0 0 "[ . 1 . 2]" 1
1118 1 63 TYR QD 1 64 GLU H . . 3.740 3.037 2.096 3.718 . 0 0 "[ . 1 . 2]" 1
1119 1 63 TYR QD 1 64 GLU QB . . 5.430 4.642 3.954 5.099 . 0 0 "[ . 1 . 2]" 1
1120 1 63 TYR QD 1 65 ILE MD . . 3.690 2.834 2.513 3.184 . 0 0 "[ . 1 . 2]" 1
1121 1 63 TYR QD 1 65 ILE HG12 . . 4.110 3.471 3.195 4.050 . 0 0 "[ . 1 . 2]" 1
1122 1 63 TYR QD 1 65 ILE HG13 . . 3.980 2.358 2.077 3.176 . 0 0 "[ . 1 . 2]" 1
1123 1 63 TYR QE 1 65 ILE HA . . 4.060 3.309 3.020 3.639 . 0 0 "[ . 1 . 2]" 1
1124 1 63 TYR QE 1 65 ILE HB . . 4.790 4.624 4.499 4.772 . 0 0 "[ . 1 . 2]" 1
1125 1 63 TYR QE 1 65 ILE MD . . 3.780 3.056 2.428 3.322 . 0 0 "[ . 1 . 2]" 1
1126 1 63 TYR QE 1 65 ILE HG12 . . 3.920 2.111 2.000 2.348 . 0 0 "[ . 1 . 2]" 1
1127 1 63 TYR QE 1 65 ILE HG13 . . 3.980 2.342 2.119 2.609 . 0 0 "[ . 1 . 2]" 1
1128 1 63 TYR QE 1 65 ILE MG . . 4.530 3.919 3.825 4.085 . 0 0 "[ . 1 . 2]" 1
1129 1 63 TYR QE 1 66 LYS H . . 5.040 4.934 4.754 5.032 . 0 0 "[ . 1 . 2]" 1
1130 1 64 GLU H 1 64 GLU QB . . 3.010 2.394 2.203 2.513 . 0 0 "[ . 1 . 2]" 1
1131 1 64 GLU H 1 64 GLU HG2 . . 4.670 4.298 2.695 4.658 . 0 0 "[ . 1 . 2]" 1
1132 1 64 GLU H 1 64 GLU HG3 . . 4.670 4.524 4.074 4.688 0.018 14 0 "[ . 1 . 2]" 1
1133 1 64 GLU H 1 65 ILE H . . 4.790 4.408 4.199 4.558 . 0 0 "[ . 1 . 2]" 1
1134 1 64 GLU HA 1 65 ILE H . . 2.950 2.166 2.140 2.267 . 0 0 "[ . 1 . 2]" 1
1135 1 64 GLU QB 1 65 ILE H . . 4.310 3.669 2.901 3.900 . 0 0 "[ . 1 . 2]" 1
1136 1 64 GLU QB 1 65 ILE HA . . 5.260 4.629 4.396 4.838 . 0 0 "[ . 1 . 2]" 1
1137 1 64 GLU QG 1 65 ILE H . . 3.260 2.845 2.236 3.247 . 0 0 "[ . 1 . 2]" 1
1138 1 64 GLU QG 1 65 ILE HA . . 5.340 4.056 3.532 4.432 . 0 0 "[ . 1 . 2]" 1
1139 1 64 GLU HG2 1 65 ILE H . . 3.930 3.337 2.249 3.965 0.035 9 0 "[ . 1 . 2]" 1
1140 1 64 GLU HG3 1 65 ILE H . . 3.930 3.291 2.696 3.922 . 0 0 "[ . 1 . 2]" 1
1141 1 65 ILE H 1 65 ILE HB . . 3.360 2.451 2.359 2.604 . 0 0 "[ . 1 . 2]" 1
1142 1 65 ILE H 1 65 ILE MD . . 4.230 3.784 3.581 4.060 . 0 0 "[ . 1 . 2]" 1
1143 1 65 ILE H 1 65 ILE HG12 . . 4.730 4.250 4.098 4.437 . 0 0 "[ . 1 . 2]" 1
1144 1 65 ILE H 1 65 ILE HG13 . . 3.970 3.029 2.825 3.253 . 0 0 "[ . 1 . 2]" 1
1145 1 65 ILE H 1 65 ILE MG . . 4.350 3.724 3.699 3.785 . 0 0 "[ . 1 . 2]" 1
1146 1 65 ILE H 1 66 LYS H . . 4.630 4.484 4.387 4.576 . 0 0 "[ . 1 . 2]" 1
1147 1 65 ILE HA 1 65 ILE MD . . 4.050 3.811 3.805 3.834 . 0 0 "[ . 1 . 2]" 1
1148 1 65 ILE HA 1 65 ILE HG12 . . 3.910 2.623 2.556 2.690 . 0 0 "[ . 1 . 2]" 1
1149 1 65 ILE HA 1 65 ILE HG13 . . 3.770 2.624 2.572 2.678 . 0 0 "[ . 1 . 2]" 1
1150 1 65 ILE HA 1 65 ILE MG . . 3.440 2.488 2.456 2.532 . 0 0 "[ . 1 . 2]" 1
1151 1 65 ILE HA 1 66 LYS H . . 2.630 2.199 2.156 2.255 . 0 0 "[ . 1 . 2]" 1
1152 1 65 ILE HA 1 66 LYS HB2 . . 5.000 4.363 4.229 4.512 . 0 0 "[ . 1 . 2]" 1
1153 1 65 ILE HA 1 68 LEU MD2 . . 5.280 4.956 4.864 5.103 . 0 0 "[ . 1 . 2]" 1
1154 1 65 ILE HB 1 65 ILE MD . . 3.640 2.276 2.149 2.383 . 0 0 "[ . 1 . 2]" 1
1155 1 65 ILE HB 1 66 LYS H . . 4.360 4.140 4.018 4.268 . 0 0 "[ . 1 . 2]" 1
1156 1 65 ILE HB 1 68 LEU MD1 . . 4.120 3.401 3.253 3.559 . 0 0 "[ . 1 . 2]" 1
1157 1 65 ILE HB 1 68 LEU MD2 . . 4.640 4.028 3.767 4.295 . 0 0 "[ . 1 . 2]" 1
1158 1 65 ILE MD 1 65 ILE MG . . 3.190 2.149 1.969 2.336 . 0 0 "[ . 1 . 2]" 1
1159 1 65 ILE MD 1 66 LYS H . . 5.140 4.949 4.778 5.110 . 0 0 "[ . 1 . 2]" 1
1160 1 65 ILE MD 1 68 LEU MD2 . . 3.940 3.748 3.563 3.941 0.001 18 0 "[ . 1 . 2]" 1
1161 1 65 ILE HG12 1 65 ILE MG . . 3.360 2.292 2.242 2.329 . 0 0 "[ . 1 . 2]" 1
1162 1 65 ILE HG12 1 66 LYS H . . 4.180 4.022 3.867 4.163 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ILE HG12 1 68 LEU MD2 . . 4.560 4.514 4.282 4.565 0.005 15 0 "[ . 1 . 2]" 1
1164 1 65 ILE HG13 1 65 ILE MG . . 3.730 3.179 3.166 3.192 . 0 0 "[ . 1 . 2]" 1
1165 1 65 ILE HG13 1 66 LYS H . . 4.680 4.633 4.583 4.681 0.001 13 0 "[ . 1 . 2]" 1
1166 1 65 ILE MG 1 66 LYS H . . 3.540 2.240 1.956 2.555 . 0 0 "[ . 1 . 2]" 1
1167 1 65 ILE MG 1 66 LYS HB2 . . 4.890 4.501 4.344 4.655 . 0 0 "[ . 1 . 2]" 1
1168 1 65 ILE MG 1 68 LEU H . . 4.700 4.526 4.264 4.678 . 0 0 "[ . 1 . 2]" 1
1169 1 65 ILE MG 1 68 LEU HB2 . . 5.320 4.603 4.384 4.721 . 0 0 "[ . 1 . 2]" 1
1170 1 65 ILE MG 1 68 LEU MD1 . . 3.580 2.176 1.996 2.462 . 0 0 "[ . 1 . 2]" 1
1171 1 65 ILE MG 1 68 LEU MD2 . . 3.100 1.940 1.800 2.083 . 0 0 "[ . 1 . 2]" 1
1172 1 65 ILE MG 1 68 LEU HG . . 4.220 2.649 2.459 2.781 . 0 0 "[ . 1 . 2]" 1
1173 1 66 LYS H 1 66 LYS HB2 . . 3.230 2.717 2.628 2.849 . 0 0 "[ . 1 . 2]" 1
1174 1 66 LYS H 1 66 LYS HB3 . . 3.970 3.807 3.744 3.897 . 0 0 "[ . 1 . 2]" 1
1175 1 66 LYS H 1 66 LYS HG2 . . 4.320 4.221 4.049 4.310 . 0 0 "[ . 1 . 2]" 1
1176 1 66 LYS H 1 66 LYS HG3 . . 3.720 3.432 3.140 3.698 . 0 0 "[ . 1 . 2]" 1
1177 1 66 LYS H 1 67 GLY H . . 4.650 4.414 4.387 4.439 . 0 0 "[ . 1 . 2]" 1
1178 1 66 LYS HA 1 66 LYS QD . . 4.690 3.968 3.695 4.237 . 0 0 "[ . 1 . 2]" 1
1179 1 66 LYS HA 1 67 GLY H . . 3.180 2.541 2.478 2.622 . 0 0 "[ . 1 . 2]" 1
1180 1 66 LYS HA 1 68 LEU H . . 3.990 3.528 3.328 3.770 . 0 0 "[ . 1 . 2]" 1
1181 1 66 LYS HB2 1 67 GLY H . . 3.540 3.487 3.268 3.540 . 0 0 "[ . 1 . 2]" 1
1182 1 66 LYS HB2 1 67 GLY QA . . 5.230 4.280 4.115 4.377 . 0 0 "[ . 1 . 2]" 1
1183 1 66 LYS HB3 1 66 LYS QE . . 4.540 2.929 1.988 4.016 . 0 0 "[ . 1 . 2]" 1
1184 1 66 LYS HB3 1 67 GLY H . . 3.330 2.147 1.995 2.273 . 0 0 "[ . 1 . 2]" 1
1185 1 66 LYS HB3 1 67 GLY QA . . 4.700 3.625 3.511 3.764 . 0 0 "[ . 1 . 2]" 1
1186 1 66 LYS QE 1 66 LYS HG2 . . 3.710 2.799 2.233 3.469 . 0 0 "[ . 1 . 2]" 1
1187 1 66 LYS QE 1 66 LYS HG3 . . 3.650 2.678 2.167 3.402 . 0 0 "[ . 1 . 2]" 1
1188 1 66 LYS HG2 1 67 GLY H . . 4.250 3.792 3.563 4.056 . 0 0 "[ . 1 . 2]" 1
1189 1 66 LYS HG3 1 67 GLY H . . 5.060 4.702 4.573 4.811 . 0 0 "[ . 1 . 2]" 1
1190 1 68 LEU H 1 68 LEU HB2 . . 3.750 2.632 2.581 2.676 . 0 0 "[ . 1 . 2]" 1
1191 1 68 LEU H 1 68 LEU HB3 . . 3.840 3.683 3.645 3.714 . 0 0 "[ . 1 . 2]" 1
1192 1 68 LEU H 1 68 LEU MD1 . . 3.810 3.599 3.425 3.777 . 0 0 "[ . 1 . 2]" 1
1193 1 68 LEU H 1 68 LEU MD2 . . 3.640 3.531 3.423 3.628 . 0 0 "[ . 1 . 2]" 1
1194 1 68 LEU H 1 68 LEU HG . . 2.960 2.366 2.179 2.607 . 0 0 "[ . 1 . 2]" 1
1195 1 68 LEU HA 1 68 LEU MD1 . . 4.170 3.956 3.918 3.975 . 0 0 "[ . 1 . 2]" 1
1196 1 68 LEU HA 1 68 LEU MD2 . . 2.990 2.273 2.031 2.523 . 0 0 "[ . 1 . 2]" 1
1197 1 68 LEU HA 1 68 LEU HG . . 4.270 3.164 3.086 3.246 . 0 0 "[ . 1 . 2]" 1
1198 1 68 LEU HA 1 69 SER H . . 3.070 2.542 2.447 2.646 . 0 0 "[ . 1 . 2]" 1
1199 1 68 LEU HB2 1 68 LEU MD1 . . 3.560 2.220 2.110 2.337 . 0 0 "[ . 1 . 2]" 1
1200 1 68 LEU HB2 1 68 LEU MD2 . . 3.420 3.179 3.155 3.190 . 0 0 "[ . 1 . 2]" 1
1201 1 68 LEU HB2 1 69 SER H . . 3.440 3.158 2.920 3.378 . 0 0 "[ . 1 . 2]" 1
1202 1 68 LEU HB2 1 74 TYR QE . . 4.640 4.325 4.102 4.470 . 0 0 "[ . 1 . 2]" 1
1203 1 68 LEU HB2 1 97 THR MG . . 3.830 3.165 2.958 3.300 . 0 0 "[ . 1 . 2]" 1
1204 1 68 LEU HB3 1 68 LEU MD1 . . 3.440 2.449 2.353 2.522 . 0 0 "[ . 1 . 2]" 1
1205 1 68 LEU HB3 1 69 SER H . . 3.680 2.217 2.052 2.395 . 0 0 "[ . 1 . 2]" 1
1206 1 68 LEU HB3 1 69 SER QB . . 4.820 4.427 4.253 4.544 . 0 0 "[ . 1 . 2]" 1
1207 1 68 LEU MD1 1 69 SER H . . 4.430 4.291 4.105 4.430 0.000 6 0 "[ . 1 . 2]" 1
1208 1 68 LEU MD1 1 74 TYR QE . . 4.500 3.920 3.728 4.214 . 0 0 "[ . 1 . 2]" 1
1209 1 68 LEU MD1 1 97 THR MG . . 3.210 2.559 2.462 2.733 . 0 0 "[ . 1 . 2]" 1
1210 1 68 LEU MD2 1 69 SER H . . 3.730 3.661 3.556 3.730 0.000 7 0 "[ . 1 . 2]" 1
1211 1 68 LEU MD2 1 74 TYR QE . . 4.200 3.061 2.715 3.468 . 0 0 "[ . 1 . 2]" 1
1212 1 68 LEU MD2 1 97 THR MG . . 4.440 4.106 3.849 4.310 . 0 0 "[ . 1 . 2]" 1
1213 1 68 LEU HG 1 97 THR MG . . 4.990 4.770 4.544 4.912 . 0 0 "[ . 1 . 2]" 1
1214 1 69 SER H 1 69 SER HB2 . . 3.900 2.587 2.382 3.076 . 0 0 "[ . 1 . 2]" 1
1215 1 69 SER H 1 69 SER QB . . 3.080 2.438 2.351 2.593 . 0 0 "[ . 1 . 2]" 1
1216 1 69 SER H 1 69 SER HB3 . . 3.900 3.370 2.573 3.761 . 0 0 "[ . 1 . 2]" 1
1217 1 69 SER H 1 70 PRO QD . . 4.770 4.340 4.322 4.354 . 0 0 "[ . 1 . 2]" 1
1218 1 69 SER H 1 74 TYR QE . . 3.810 3.097 2.682 3.465 . 0 0 "[ . 1 . 2]" 1
1219 1 69 SER H 1 97 THR MG . . 4.310 4.026 3.799 4.182 . 0 0 "[ . 1 . 2]" 1
1220 1 69 SER HA 1 70 PRO HD2 . . 3.200 2.244 2.223 2.268 . 0 0 "[ . 1 . 2]" 1
1221 1 69 SER HA 1 70 PRO QD . . 2.770 2.004 1.994 2.017 . 0 0 "[ . 1 . 2]" 1
1222 1 69 SER HA 1 70 PRO HD3 . . 3.200 2.255 2.253 2.259 . 0 0 "[ . 1 . 2]" 1
1223 1 69 SER HA 1 70 PRO HG2 . . 4.640 4.386 4.370 4.405 . 0 0 "[ . 1 . 2]" 1
1224 1 69 SER QB 1 72 THR MG . . 4.090 3.202 3.035 3.436 . 0 0 "[ . 1 . 2]" 1
1225 1 70 PRO QB 1 71 ALA MB . . 3.920 3.136 3.006 3.228 . 0 0 "[ . 1 . 2]" 1
1226 1 70 PRO QB 1 100 SER H . . 3.230 2.006 1.881 2.296 . 0 0 "[ . 1 . 2]" 1
1227 1 70 PRO QB 1 100 SER HA . . 5.300 3.857 3.689 4.072 . 0 0 "[ . 1 . 2]" 1
1228 1 70 PRO QB 1 100 SER HB2 . . 3.830 2.471 2.016 3.471 . 0 0 "[ . 1 . 2]" 1
1229 1 70 PRO QB 1 100 SER HB3 . . 4.040 2.935 1.940 3.379 . 0 0 "[ . 1 . 2]" 1
1230 1 70 PRO HB2 1 71 ALA H . . 4.010 2.971 2.803 3.256 . 0 0 "[ . 1 . 2]" 1
1231 1 70 PRO HB2 1 71 ALA MB . . 4.680 3.191 3.051 3.292 . 0 0 "[ . 1 . 2]" 1
1232 1 70 PRO HB2 1 99 PRO HA . . 4.130 2.194 2.001 2.751 . 0 0 "[ . 1 . 2]" 1
1233 1 70 PRO HB2 1 100 SER H . . 3.690 2.043 1.911 2.344 . 0 0 "[ . 1 . 2]" 1
1234 1 70 PRO HB2 1 100 SER HB2 . . 4.390 3.412 2.796 4.315 . 0 0 "[ . 1 . 2]" 1
1235 1 70 PRO HB2 1 100 SER HB3 . . 4.860 3.444 2.609 3.896 . 0 0 "[ . 1 . 2]" 1
1236 1 70 PRO HB3 1 71 ALA H . . 4.010 3.649 3.554 3.820 . 0 0 "[ . 1 . 2]" 1
1237 1 70 PRO HB3 1 71 ALA MB . . 4.680 4.606 4.536 4.656 . 0 0 "[ . 1 . 2]" 1
1238 1 70 PRO HB3 1 99 PRO HA . . 4.130 3.523 3.235 4.120 . 0 0 "[ . 1 . 2]" 1
1239 1 70 PRO HB3 1 100 SER H . . 3.690 2.954 2.697 3.357 . 0 0 "[ . 1 . 2]" 1
1240 1 70 PRO HB3 1 100 SER HB2 . . 4.390 2.539 2.061 3.659 . 0 0 "[ . 1 . 2]" 1
1241 1 70 PRO HB3 1 100 SER HB3 . . 4.860 3.205 2.001 3.772 . 0 0 "[ . 1 . 2]" 1
1242 1 70 PRO HG2 1 71 ALA MB . . 4.510 3.968 3.847 4.035 . 0 0 "[ . 1 . 2]" 1
1243 1 70 PRO HG2 1 100 SER HB3 . . 4.260 3.494 3.095 3.831 . 0 0 "[ . 1 . 2]" 1
1244 1 70 PRO HG3 1 100 SER HB2 . . 4.160 2.717 2.120 3.791 . 0 0 "[ . 1 . 2]" 1
1245 1 70 PRO HG3 1 100 SER HB3 . . 4.150 2.264 2.000 2.744 . 0 0 "[ . 1 . 2]" 1
1246 1 71 ALA H 1 71 ALA HA . . 2.890 2.283 2.276 2.294 . 0 0 "[ . 1 . 2]" 1
1247 1 71 ALA H 1 71 ALA MB . . 3.340 2.791 2.715 2.880 . 0 0 "[ . 1 . 2]" 1
1248 1 71 ALA H 1 72 THR H . . 3.460 2.924 2.756 3.050 . 0 0 "[ . 1 . 2]" 1
1249 1 71 ALA H 1 72 THR HB . . 5.170 5.065 4.828 5.171 0.001 10 0 "[ . 1 . 2]" 1
1250 1 71 ALA H 1 96 VAL MG1 . . 4.700 4.014 3.752 4.333 . 0 0 "[ . 1 . 2]" 1
1251 1 71 ALA H 1 97 THR H . . 4.660 4.495 4.067 4.662 0.002 6 0 "[ . 1 . 2]" 1
1252 1 71 ALA H 1 97 THR HG1 . . 3.550 2.823 1.964 3.546 . 0 0 "[ . 1 . 2]" 1
1253 1 71 ALA H 1 97 THR MG . . 4.880 4.624 4.389 4.763 . 0 0 "[ . 1 . 2]" 1
1254 1 71 ALA H 1 98 PRO HA . . 4.260 3.893 3.665 4.040 . 0 0 "[ . 1 . 2]" 1
1255 1 71 ALA H 1 98 PRO QD . . 5.270 4.401 4.163 4.642 . 0 0 "[ . 1 . 2]" 1
1256 1 71 ALA H 1 99 PRO HA . . 3.660 3.010 2.849 3.261 . 0 0 "[ . 1 . 2]" 1
1257 1 71 ALA H 1 99 PRO HD3 . . 5.500 4.193 3.957 4.576 . 0 0 "[ . 1 . 2]" 1
1258 1 71 ALA HA 1 72 THR H . . 3.140 2.666 2.622 2.765 . 0 0 "[ . 1 . 2]" 1
1259 1 71 ALA HA 1 96 VAL MG1 . . 3.750 2.842 2.609 3.000 . 0 0 "[ . 1 . 2]" 1
1260 1 71 ALA HA 1 97 THR H . . 4.970 4.572 4.103 4.883 . 0 0 "[ . 1 . 2]" 1
1261 1 71 ALA HA 1 97 THR HG1 . . 4.850 3.967 3.227 4.807 . 0 0 "[ . 1 . 2]" 1
1262 1 71 ALA HA 1 99 PRO HA . . 4.680 4.006 3.793 4.269 . 0 0 "[ . 1 . 2]" 1
1263 1 71 ALA MB 1 72 THR H . . 3.990 3.714 3.695 3.719 . 0 0 "[ . 1 . 2]" 1
1264 1 71 ALA MB 1 96 VAL MG1 . . 4.080 3.884 3.647 4.054 . 0 0 "[ . 1 . 2]" 1
1265 1 71 ALA MB 1 99 PRO HA . . 3.420 2.407 2.021 2.749 . 0 0 "[ . 1 . 2]" 1
1266 1 71 ALA MB 1 99 PRO HB2 . . 3.850 3.780 3.566 3.854 0.004 9 0 "[ . 1 . 2]" 1
1267 1 71 ALA MB 1 99 PRO QB . . 3.340 2.410 2.107 2.600 . 0 0 "[ . 1 . 2]" 1
1268 1 71 ALA MB 1 99 PRO HB3 . . 3.850 2.440 2.122 2.645 . 0 0 "[ . 1 . 2]" 1
1269 1 71 ALA MB 1 99 PRO HD3 . . 4.720 3.653 3.175 3.998 . 0 0 "[ . 1 . 2]" 1
1270 1 71 ALA MB 1 99 PRO QG . . 4.580 3.921 3.488 4.157 . 0 0 "[ . 1 . 2]" 1
1271 1 71 ALA MB 1 100 SER H . . 4.310 3.867 3.562 4.249 . 0 0 "[ . 1 . 2]" 1
1272 1 72 THR H 1 72 THR HB . . 3.220 2.820 2.723 2.899 . 0 0 "[ . 1 . 2]" 1
1273 1 72 THR H 1 73 THR H . . 4.480 4.304 4.221 4.370 . 0 0 "[ . 1 . 2]" 1
1274 1 72 THR H 1 74 TYR QE . . 4.150 3.795 3.412 4.089 . 0 0 "[ . 1 . 2]" 1
1275 1 72 THR H 1 96 VAL HA . . 4.270 4.037 3.770 4.204 . 0 0 "[ . 1 . 2]" 1
1276 1 72 THR H 1 96 VAL MG1 . . 3.640 2.711 2.301 3.087 . 0 0 "[ . 1 . 2]" 1
1277 1 72 THR H 1 97 THR H . . 3.200 2.852 2.544 3.121 . 0 0 "[ . 1 . 2]" 1
1278 1 72 THR H 1 97 THR HG1 . . 3.090 2.197 1.900 2.943 . 0 0 "[ . 1 . 2]" 1
1279 1 72 THR H 1 97 THR MG . . 4.180 3.977 3.776 4.134 . 0 0 "[ . 1 . 2]" 1
1280 1 72 THR HA 1 72 THR MG . . 3.230 2.354 2.254 2.472 . 0 0 "[ . 1 . 2]" 1
1281 1 72 THR HA 1 73 THR H . . 2.740 2.184 2.150 2.228 . 0 0 "[ . 1 . 2]" 1
1282 1 72 THR HA 1 73 THR HB . . 5.060 4.887 4.750 5.047 . 0 0 "[ . 1 . 2]" 1
1283 1 72 THR HB 1 73 THR H . . 4.250 4.068 3.880 4.251 0.001 9 0 "[ . 1 . 2]" 1
1284 1 72 THR HB 1 74 TYR QE . . 3.450 2.084 2.004 2.410 . 0 0 "[ . 1 . 2]" 1
1285 1 72 THR HB 1 97 THR H . . 4.410 4.245 4.110 4.362 . 0 0 "[ . 1 . 2]" 1
1286 1 72 THR HB 1 97 THR HG1 . . 4.140 3.230 2.654 3.859 . 0 0 "[ . 1 . 2]" 1
1287 1 72 THR HB 1 97 THR MG . . 4.380 3.955 3.789 4.296 . 0 0 "[ . 1 . 2]" 1
1288 1 72 THR HG1 1 73 THR H . . 4.310 4.214 4.027 4.301 . 0 0 "[ . 1 . 2]" 1
1289 1 72 THR MG 1 73 THR H . . 2.910 2.343 2.088 2.682 . 0 0 "[ . 1 . 2]" 1
1290 1 72 THR MG 1 73 THR HB . . 4.510 3.965 3.828 4.112 . 0 0 "[ . 1 . 2]" 1
1291 1 72 THR MG 1 74 TYR QE . . 3.850 2.837 2.579 3.185 . 0 0 "[ . 1 . 2]" 1
1292 1 72 THR MG 1 97 THR MG . . 5.350 4.692 4.370 4.851 . 0 0 "[ . 1 . 2]" 1
1293 1 73 THR H 1 73 THR HB . . 2.880 2.711 2.588 2.859 . 0 0 "[ . 1 . 2]" 1
1294 1 73 THR H 1 73 THR HG1 . . 2.970 2.210 1.909 2.847 . 0 0 "[ . 1 . 2]" 1
1295 1 73 THR H 1 73 THR MG . . 4.180 3.773 3.730 3.802 . 0 0 "[ . 1 . 2]" 1
1296 1 73 THR H 1 74 TYR H . . 4.740 4.591 4.556 4.619 . 0 0 "[ . 1 . 2]" 1
1297 1 73 THR H 1 96 VAL HA . . 4.710 4.585 4.376 4.693 . 0 0 "[ . 1 . 2]" 1
1298 1 73 THR HA 1 95 CYS H . . 4.450 4.311 4.192 4.430 . 0 0 "[ . 1 . 2]" 1
1299 1 73 THR HA 1 96 VAL H . . 4.800 4.630 4.493 4.804 0.004 15 0 "[ . 1 . 2]" 1
1300 1 73 THR HB 1 74 TYR H . . 4.440 3.806 3.507 4.022 . 0 0 "[ . 1 . 2]" 1
1301 1 73 THR HB 1 75 TYR QE . . 4.550 3.323 2.688 3.673 . 0 0 "[ . 1 . 2]" 1
1302 1 73 THR MG 1 74 TYR H . . 3.260 2.252 2.069 2.516 . 0 0 "[ . 1 . 2]" 1
1303 1 73 THR MG 1 74 TYR HA . . 4.680 3.799 3.649 4.013 . 0 0 "[ . 1 . 2]" 1
1304 1 73 THR MG 1 75 TYR QD . . 4.390 3.757 3.481 3.972 . 0 0 "[ . 1 . 2]" 1
1305 1 73 THR MG 1 75 TYR QE . . 3.680 2.597 2.172 2.969 . 0 0 "[ . 1 . 2]" 1
1306 1 73 THR MG 1 94 ALA HA . . 4.500 4.060 3.866 4.293 . 0 0 "[ . 1 . 2]" 1
1307 1 73 THR MG 1 94 ALA MB . . 3.220 2.922 2.751 3.106 . 0 0 "[ . 1 . 2]" 1
1308 1 73 THR MG 1 95 CYS H . . 3.810 3.154 2.918 3.331 . 0 0 "[ . 1 . 2]" 1
1309 1 74 TYR H 1 74 TYR HB2 . . 3.670 2.712 2.586 2.841 . 0 0 "[ . 1 . 2]" 1
1310 1 74 TYR H 1 74 TYR HB3 . . 4.100 3.807 3.724 3.889 . 0 0 "[ . 1 . 2]" 1
1311 1 74 TYR H 1 74 TYR HD2 . . 4.530 3.425 3.134 3.659 . 0 0 "[ . 1 . 2]" 1
1312 1 74 TYR H 1 74 TYR QE . . 5.430 5.334 5.059 5.425 . 0 0 "[ . 1 . 2]" 1
1313 1 74 TYR H 1 75 TYR H . . 4.860 4.424 4.366 4.461 . 0 0 "[ . 1 . 2]" 1
1314 1 74 TYR H 1 75 TYR QD . . 5.160 4.589 4.143 4.783 . 0 0 "[ . 1 . 2]" 1
1315 1 74 TYR H 1 94 ALA HA . . 4.800 4.381 4.207 4.537 . 0 0 "[ . 1 . 2]" 1
1316 1 74 TYR H 1 94 ALA MB . . 4.570 4.216 3.863 4.454 . 0 0 "[ . 1 . 2]" 1
1317 1 74 TYR H 1 95 CYS H . . 3.330 2.689 2.570 2.793 . 0 0 "[ . 1 . 2]" 1
1318 1 74 TYR H 1 95 CYS HA . . 4.920 4.688 4.565 4.828 . 0 0 "[ . 1 . 2]" 1
1319 1 74 TYR H 1 96 VAL HA . . 3.710 3.386 3.195 3.644 . 0 0 "[ . 1 . 2]" 1
1320 1 74 TYR H 1 96 VAL MG2 . . 4.350 3.348 2.967 3.716 . 0 0 "[ . 1 . 2]" 1
1321 1 74 TYR HA 1 75 TYR H . . 2.900 2.391 2.295 2.465 . 0 0 "[ . 1 . 2]" 1
1322 1 74 TYR HA 1 75 TYR HB2 . . 4.810 4.552 4.400 4.618 . 0 0 "[ . 1 . 2]" 1
1323 1 74 TYR HA 1 75 TYR QD . . 4.310 3.031 2.560 3.456 . 0 0 "[ . 1 . 2]" 1
1324 1 74 TYR HA 1 95 CYS H . . 5.000 4.780 4.629 4.943 . 0 0 "[ . 1 . 2]" 1
1325 1 74 TYR HB2 1 75 TYR H . . 3.890 3.743 3.517 3.881 . 0 0 "[ . 1 . 2]" 1
1326 1 74 TYR HB2 1 95 CYS H . . 4.850 3.846 3.654 4.135 . 0 0 "[ . 1 . 2]" 1
1327 1 74 TYR HB2 1 95 CYS QB . . 4.720 4.319 4.070 4.566 . 0 0 "[ . 1 . 2]" 1
1328 1 74 TYR HB3 1 75 TYR H . . 3.400 2.461 2.283 2.703 . 0 0 "[ . 1 . 2]" 1
1329 1 74 TYR HD2 1 97 THR MG . . 4.250 2.784 2.556 3.091 . 0 0 "[ . 1 . 2]" 1
1330 1 74 TYR QE 1 97 THR H . . 4.380 3.748 2.868 4.309 . 0 0 "[ . 1 . 2]" 1
1331 1 74 TYR QE 1 97 THR MG . . 3.500 2.533 2.101 3.041 . 0 0 "[ . 1 . 2]" 1
1332 1 75 TYR H 1 75 TYR HB2 . . 3.520 2.859 2.750 2.903 . 0 0 "[ . 1 . 2]" 1
1333 1 75 TYR H 1 75 TYR HB3 . . 3.920 3.897 3.841 3.925 0.005 6 0 "[ . 1 . 2]" 1
1334 1 75 TYR H 1 75 TYR QD . . 3.560 2.879 2.594 3.405 . 0 0 "[ . 1 . 2]" 1
1335 1 75 TYR H 1 76 CYS H . . 4.810 4.389 4.343 4.437 . 0 0 "[ . 1 . 2]" 1
1336 1 75 TYR HA 1 75 TYR QD . . 3.830 3.038 2.772 3.213 . 0 0 "[ . 1 . 2]" 1
1337 1 75 TYR HA 1 76 CYS H . . 2.800 2.296 2.220 2.410 . 0 0 "[ . 1 . 2]" 1
1338 1 75 TYR HA 1 92 VAL MG1 . . 3.930 3.455 3.242 3.637 . 0 0 "[ . 1 . 2]" 1
1339 1 75 TYR HA 1 93 VAL H . . 4.910 4.511 4.131 4.918 0.008 15 0 "[ . 1 . 2]" 1
1340 1 75 TYR HA 1 94 ALA MB . . 4.530 4.044 3.457 4.246 . 0 0 "[ . 1 . 2]" 1
1341 1 75 TYR HA 1 95 CYS H . . 4.250 3.786 3.588 4.041 . 0 0 "[ . 1 . 2]" 1
1342 1 75 TYR HB2 1 76 CYS H . . 4.130 3.756 3.508 3.967 . 0 0 "[ . 1 . 2]" 1
1343 1 75 TYR HB2 1 92 VAL MG1 . . 3.550 3.442 3.309 3.542 . 0 0 "[ . 1 . 2]" 1
1344 1 75 TYR HB2 1 92 VAL MG2 . . 5.500 4.978 4.714 5.210 . 0 0 "[ . 1 . 2]" 1
1345 1 75 TYR HB3 1 76 CYS H . . 3.740 2.722 2.442 2.943 . 0 0 "[ . 1 . 2]" 1
1346 1 75 TYR HB3 1 92 VAL MG1 . . 3.270 2.109 2.013 2.237 . 0 0 "[ . 1 . 2]" 1
1347 1 75 TYR HB3 1 92 VAL MG2 . . 4.190 3.952 3.515 4.188 . 0 0 "[ . 1 . 2]" 1
1348 1 75 TYR QD 1 76 CYS H . . 4.240 4.054 3.704 4.233 . 0 0 "[ . 1 . 2]" 1
1349 1 75 TYR QD 1 92 VAL HB . . 4.560 4.241 4.078 4.419 . 0 0 "[ . 1 . 2]" 1
1350 1 75 TYR QD 1 92 VAL MG1 . . 3.140 1.970 1.872 2.101 . 0 0 "[ . 1 . 2]" 1
1351 1 75 TYR QD 1 92 VAL MG2 . . 4.490 4.323 4.155 4.457 . 0 0 "[ . 1 . 2]" 1
1352 1 75 TYR QD 1 94 ALA HA . . 4.150 2.888 2.484 3.365 . 0 0 "[ . 1 . 2]" 1
1353 1 75 TYR QD 1 94 ALA MB . . 3.560 2.696 2.274 2.941 . 0 0 "[ . 1 . 2]" 1
1354 1 75 TYR QD 1 95 CYS H . . 5.030 4.575 4.314 4.866 . 0 0 "[ . 1 . 2]" 1
1355 1 75 TYR QE 1 92 VAL MG1 . . 4.170 3.468 3.201 3.738 . 0 0 "[ . 1 . 2]" 1
1356 1 75 TYR QE 1 94 ALA HA . . 4.590 3.790 3.355 4.353 . 0 0 "[ . 1 . 2]" 1
1357 1 75 TYR QE 1 94 ALA MB . . 3.320 2.200 1.920 2.727 . 0 0 "[ . 1 . 2]" 1
1358 1 76 CYS H 1 76 CYS QB . . 3.610 3.065 2.875 3.207 . 0 0 "[ . 1 . 2]" 1
1359 1 76 CYS H 1 77 ARG H . . 4.730 4.297 4.169 4.397 . 0 0 "[ . 1 . 2]" 1
1360 1 76 CYS H 1 92 VAL HA . . 4.450 4.065 3.838 4.354 . 0 0 "[ . 1 . 2]" 1
1361 1 76 CYS H 1 92 VAL MG1 . . 3.450 2.973 2.601 3.308 . 0 0 "[ . 1 . 2]" 1
1362 1 76 CYS H 1 92 VAL MG2 . . 5.020 4.719 4.247 4.968 . 0 0 "[ . 1 . 2]" 1
1363 1 76 CYS H 1 93 VAL H . . 3.400 2.952 2.625 3.271 . 0 0 "[ . 1 . 2]" 1
1364 1 76 CYS H 1 93 VAL HB . . 4.270 3.716 3.385 3.966 . 0 0 "[ . 1 . 2]" 1
1365 1 76 CYS H 1 93 VAL MG2 . . 5.330 4.615 4.302 4.860 . 0 0 "[ . 1 . 2]" 1
1366 1 76 CYS H 1 94 ALA HA . . 5.010 4.206 3.555 4.508 . 0 0 "[ . 1 . 2]" 1
1367 1 76 CYS H 1 94 ALA MB . . 5.500 5.272 4.704 5.504 0.004 3 0 "[ . 1 . 2]" 1
1368 1 76 CYS HA 1 77 ARG H . . 2.910 2.221 2.169 2.351 . 0 0 "[ . 1 . 2]" 1
1369 1 76 CYS HA 1 77 ARG QG . . 4.940 3.659 3.476 4.047 . 0 0 "[ . 1 . 2]" 1
1370 1 76 CYS HA 1 92 VAL MG1 . . 5.250 4.773 4.418 5.016 . 0 0 "[ . 1 . 2]" 1
1371 1 76 CYS QB 1 77 ARG H . . 3.350 2.948 2.669 3.125 . 0 0 "[ . 1 . 2]" 1
1372 1 76 CYS QB 1 93 VAL HB . . 4.790 4.437 4.176 4.772 . 0 0 "[ . 1 . 2]" 1
1373 1 76 CYS HB2 1 93 VAL HB . . 5.500 5.222 4.904 5.427 . 0 0 "[ . 1 . 2]" 1
1374 1 76 CYS HB3 1 93 VAL HB . . 5.500 4.811 4.425 5.389 . 0 0 "[ . 1 . 2]" 1
1375 1 77 ARG H 1 77 ARG HG2 . . 4.050 2.393 2.125 2.600 . 0 0 "[ . 1 . 2]" 1
1376 1 77 ARG H 1 77 ARG QG . . 3.490 2.326 2.106 2.495 . 0 0 "[ . 1 . 2]" 1
1377 1 77 ARG H 1 77 ARG HG3 . . 4.050 3.235 2.725 3.792 . 0 0 "[ . 1 . 2]" 1
1378 1 77 ARG H 1 78 VAL H . . 5.100 4.259 4.139 4.415 . 0 0 "[ . 1 . 2]" 1
1379 1 77 ARG H 1 78 VAL HA . . 5.470 4.715 4.607 4.850 . 0 0 "[ . 1 . 2]" 1
1380 1 77 ARG H 1 92 VAL MG1 . . 5.500 5.325 5.106 5.470 . 0 0 "[ . 1 . 2]" 1
1381 1 77 ARG H 1 92 VAL MG2 . . 5.500 5.329 4.907 5.465 . 0 0 "[ . 1 . 2]" 1
1382 1 77 ARG HA 1 78 VAL H . . 3.050 2.175 2.141 2.318 . 0 0 "[ . 1 . 2]" 1
1383 1 77 ARG HA 1 78 VAL MG1 . . 5.300 3.782 3.607 3.894 . 0 0 "[ . 1 . 2]" 1
1384 1 77 ARG QB 1 78 VAL H . . 3.530 3.088 2.657 3.289 . 0 0 "[ . 1 . 2]" 1
1385 1 77 ARG QB 1 89 PHE HB2 . . 4.920 4.066 3.745 4.531 . 0 0 "[ . 1 . 2]" 1
1386 1 77 ARG QB 1 89 PHE HB3 . . 4.380 2.525 2.196 2.972 . 0 0 "[ . 1 . 2]" 1
1387 1 77 ARG QB 1 89 PHE QD . . 4.830 2.450 2.065 3.083 . 0 0 "[ . 1 . 2]" 1
1388 1 77 ARG QB 1 90 SER H . . 4.770 3.657 3.269 4.033 . 0 0 "[ . 1 . 2]" 1
1389 1 77 ARG QB 1 92 VAL HA . . 3.660 3.067 2.801 3.385 . 0 0 "[ . 1 . 2]" 1
1390 1 77 ARG QD 1 78 VAL H . . 5.290 5.181 4.770 5.291 0.001 19 0 "[ . 1 . 2]" 1
1391 1 77 ARG QD 1 89 PHE HB2 . . 4.420 3.534 2.733 4.421 0.001 12 0 "[ . 1 . 2]" 1
1392 1 77 ARG QD 1 89 PHE HB3 . . 3.930 2.836 2.010 3.803 . 0 0 "[ . 1 . 2]" 1
1393 1 77 ARG QD 1 89 PHE QD . . 4.860 3.007 2.598 3.771 . 0 0 "[ . 1 . 2]" 1
1394 1 77 ARG QD 1 92 VAL MG2 . . 3.680 3.212 2.325 3.679 . 0 0 "[ . 1 . 2]" 1
1395 1 77 ARG HE 1 77 ARG QG . . 3.680 2.277 2.143 2.836 . 0 0 "[ . 1 . 2]" 1
1396 1 77 ARG QG 1 89 PHE QD . . 3.900 2.705 2.201 3.247 . 0 0 "[ . 1 . 2]" 1
1397 1 77 ARG QG 1 89 PHE QE . . 4.550 2.725 2.260 3.159 . 0 0 "[ . 1 . 2]" 1
1398 1 77 ARG QG 1 92 VAL MG2 . . 4.430 4.148 3.802 4.410 . 0 0 "[ . 1 . 2]" 1
1399 1 77 ARG HG2 1 89 PHE QD . . 4.630 4.251 3.780 4.610 . 0 0 "[ . 1 . 2]" 1
1400 1 77 ARG HG3 1 89 PHE QD . . 4.630 2.738 2.215 3.322 . 0 0 "[ . 1 . 2]" 1
1401 1 78 VAL H 1 78 VAL HB . . 4.030 3.024 2.926 3.251 . 0 0 "[ . 1 . 2]" 1
1402 1 78 VAL H 1 78 VAL MG1 . . 3.260 2.135 1.967 2.329 . 0 0 "[ . 1 . 2]" 1
1403 1 78 VAL H 1 89 PHE HA . . 5.170 4.772 4.231 5.103 . 0 0 "[ . 1 . 2]" 1
1404 1 78 VAL H 1 89 PHE HB3 . . 5.210 4.755 4.264 5.177 . 0 0 "[ . 1 . 2]" 1
1405 1 78 VAL H 1 89 PHE QD . . 4.170 3.507 3.089 3.981 . 0 0 "[ . 1 . 2]" 1
1406 1 78 VAL H 1 90 SER H . . 3.730 3.357 2.982 3.598 . 0 0 "[ . 1 . 2]" 1
1407 1 78 VAL H 1 90 SER HB2 . . 4.640 4.461 4.120 4.629 . 0 0 "[ . 1 . 2]" 1
1408 1 78 VAL H 1 90 SER HB3 . . 4.350 3.925 3.616 4.322 . 0 0 "[ . 1 . 2]" 1
1409 1 78 VAL H 1 90 SER HG . . 3.540 2.738 2.121 3.411 . 0 0 "[ . 1 . 2]" 1
1410 1 78 VAL HA 1 78 VAL MG2 . . 3.420 2.287 2.184 2.403 . 0 0 "[ . 1 . 2]" 1
1411 1 78 VAL HA 1 79 GLN H . . 2.980 2.218 2.165 2.289 . 0 0 "[ . 1 . 2]" 1
1412 1 78 VAL HA 1 89 PHE QD . . 4.720 3.607 3.174 4.089 . 0 0 "[ . 1 . 2]" 1
1413 1 78 VAL HA 1 89 PHE QE . . 4.340 3.414 2.938 4.131 . 0 0 "[ . 1 . 2]" 1
1414 1 78 VAL HB 1 79 GLN H . . 4.260 4.069 3.978 4.197 . 0 0 "[ . 1 . 2]" 1
1415 1 78 VAL MG1 1 79 GLN H . . 4.150 3.751 3.519 3.937 . 0 0 "[ . 1 . 2]" 1
1416 1 78 VAL MG1 1 90 SER H . . 4.170 3.575 3.381 3.783 . 0 0 "[ . 1 . 2]" 1
1417 1 78 VAL MG1 1 90 SER HB2 . . 4.370 3.724 3.492 3.912 . 0 0 "[ . 1 . 2]" 1
1418 1 78 VAL MG1 1 90 SER HB3 . . 4.030 2.897 2.769 3.143 . 0 0 "[ . 1 . 2]" 1
1419 1 78 VAL MG2 1 79 GLN H . . 3.330 2.113 1.884 2.548 . 0 0 "[ . 1 . 2]" 1
1420 1 79 GLN H 1 79 GLN QB . . 3.660 2.891 2.392 3.083 . 0 0 "[ . 1 . 2]" 1
1421 1 79 GLN H 1 79 GLN QG . . 3.620 2.604 2.402 3.680 0.060 8 0 "[ . 1 . 2]" 1
1422 1 79 GLN H 1 89 PHE QD . . 4.370 3.918 3.513 4.281 . 0 0 "[ . 1 . 2]" 1
1423 1 79 GLN H 1 89 PHE QE . . 4.480 3.511 3.107 4.015 . 0 0 "[ . 1 . 2]" 1
1424 1 79 GLN QB 1 79 GLN QE . . 3.290 2.603 1.973 3.226 . 0 0 "[ . 1 . 2]" 1
1425 1 79 GLN QB 1 80 ALA H . . 3.750 2.678 2.450 3.355 . 0 0 "[ . 1 . 2]" 1
1426 1 79 GLN QB 1 89 PHE HA . . 3.450 2.444 2.096 2.914 . 0 0 "[ . 1 . 2]" 1
1427 1 79 GLN QB 1 89 PHE QD . . 3.840 2.625 2.215 3.023 . 0 0 "[ . 1 . 2]" 1
1428 1 79 GLN QB 1 90 SER H . . 4.960 3.847 3.532 4.261 . 0 0 "[ . 1 . 2]" 1
1429 1 79 GLN HB2 1 79 GLN HE21 . . 4.540 2.824 2.004 4.259 . 0 0 "[ . 1 . 2]" 1
1430 1 79 GLN HB2 1 79 GLN HE22 . . 4.540 3.813 3.364 4.516 . 0 0 "[ . 1 . 2]" 1
1431 1 79 GLN HB2 1 89 PHE HA . . 4.260 3.157 2.231 3.743 . 0 0 "[ . 1 . 2]" 1
1432 1 79 GLN HB3 1 79 GLN HE21 . . 4.540 3.739 3.033 4.252 . 0 0 "[ . 1 . 2]" 1
1433 1 79 GLN HB3 1 79 GLN HE22 . . 4.540 4.350 3.867 4.538 . 0 0 "[ . 1 . 2]" 1
1434 1 79 GLN HB3 1 89 PHE HA . . 4.260 2.632 2.145 3.806 . 0 0 "[ . 1 . 2]" 1
1435 1 79 GLN QE 1 80 ALA H . . 5.340 4.093 3.425 5.359 0.019 10 0 "[ . 1 . 2]" 1
1436 1 79 GLN QE 1 81 LEU MD2 . . 4.890 3.843 3.110 4.599 . 0 0 "[ . 1 . 2]" 1
1437 1 79 GLN QE 1 86 ALA MB . . 3.140 2.258 1.766 3.110 . 0 0 "[ . 1 . 2]" 1
1438 1 79 GLN HE21 1 86 ALA MB . . 3.600 2.763 2.274 3.603 0.003 10 0 "[ . 1 . 2]" 1
1439 1 79 GLN HE22 1 86 ALA MB . . 3.600 2.477 1.796 3.494 . 0 0 "[ . 1 . 2]" 1
1440 1 79 GLN QG 1 80 ALA H . . 4.540 3.222 2.068 3.652 . 0 0 "[ . 1 . 2]" 1
1441 1 79 GLN QG 1 81 LEU MD1 . . 3.290 2.122 1.933 2.486 . 0 0 "[ . 1 . 2]" 1
1442 1 79 GLN QG 1 81 LEU MD2 . . 5.000 4.114 3.725 4.408 . 0 0 "[ . 1 . 2]" 1
1443 1 79 GLN QG 1 86 ALA MB . . 4.290 4.083 3.834 4.293 0.003 7 0 "[ . 1 . 2]" 1
1444 1 79 GLN QG 1 89 PHE QD . . 4.790 4.041 3.585 4.425 . 0 0 "[ . 1 . 2]" 1
1445 1 79 GLN QG 1 89 PHE QE . . 4.550 3.064 2.548 3.978 . 0 0 "[ . 1 . 2]" 1
1446 1 79 GLN QG 1 89 PHE HZ . . 4.600 3.664 2.476 4.494 . 0 0 "[ . 1 . 2]" 1
1447 1 80 ALA H 1 80 ALA MB . . 3.460 2.277 2.191 2.398 . 0 0 "[ . 1 . 2]" 1
1448 1 80 ALA H 1 87 GLY H . . 4.790 4.063 3.652 4.592 . 0 0 "[ . 1 . 2]" 1
1449 1 80 ALA MB 1 81 LEU H . . 3.620 3.174 2.991 3.271 . 0 0 "[ . 1 . 2]" 1
1450 1 81 LEU H 1 81 LEU HB2 . . 3.640 2.365 2.289 2.467 . 0 0 "[ . 1 . 2]" 1
1451 1 81 LEU H 1 81 LEU HB3 . . 4.090 3.607 3.553 3.668 . 0 0 "[ . 1 . 2]" 1
1452 1 81 LEU H 1 81 LEU MD1 . . 3.720 2.405 1.999 2.749 . 0 0 "[ . 1 . 2]" 1
1453 1 81 LEU H 1 81 LEU MD2 . . 4.850 4.306 4.184 4.435 . 0 0 "[ . 1 . 2]" 1
1454 1 81 LEU H 1 81 LEU HG . . 4.720 3.725 3.481 3.898 . 0 0 "[ . 1 . 2]" 1
1455 1 81 LEU H 1 82 SER H . . 4.900 4.518 4.458 4.564 . 0 0 "[ . 1 . 2]" 1
1456 1 81 LEU HB2 1 81 LEU MD1 . . 3.280 2.143 2.006 2.237 . 0 0 "[ . 1 . 2]" 1
1457 1 81 LEU HB2 1 82 SER H . . 4.420 4.116 3.856 4.316 . 0 0 "[ . 1 . 2]" 1
1458 1 81 LEU HB3 1 81 LEU MD2 . . 3.300 2.094 1.975 2.198 . 0 0 "[ . 1 . 2]" 1
1459 1 81 LEU HB3 1 82 SER H . . 3.490 2.991 2.626 3.275 . 0 0 "[ . 1 . 2]" 1
1460 1 81 LEU MD1 1 86 ALA HA . . 4.930 4.617 4.236 4.866 . 0 0 "[ . 1 . 2]" 1
1461 1 81 LEU MD1 1 86 ALA MB . . 3.920 3.738 3.466 3.921 0.001 15 0 "[ . 1 . 2]" 1
1462 1 81 LEU MD1 1 87 GLY H . . 5.500 4.598 4.015 5.021 . 0 0 "[ . 1 . 2]" 1
1463 1 81 LEU MD2 1 82 SER H . . 4.460 4.293 3.938 4.428 . 0 0 "[ . 1 . 2]" 1
1464 1 81 LEU MD2 1 86 ALA HA . . 4.560 4.229 3.714 4.561 0.001 11 0 "[ . 1 . 2]" 1
1465 1 81 LEU MD2 1 86 ALA MB . . 3.110 2.909 2.634 3.060 . 0 0 "[ . 1 . 2]" 1
1466 1 81 LEU MD2 1 87 GLY H . . 5.500 5.320 4.900 5.500 . 0 0 "[ . 1 . 2]" 1
1467 1 81 LEU HG 1 86 ALA HA . . 4.130 3.351 2.808 3.695 . 0 0 "[ . 1 . 2]" 1
1468 1 81 LEU HG 1 86 ALA MB . . 3.850 2.460 2.140 2.670 . 0 0 "[ . 1 . 2]" 1
1469 1 81 LEU HG 1 87 GLY H . . 4.540 4.075 3.484 4.396 . 0 0 "[ . 1 . 2]" 1
1470 1 82 SER H 1 82 SER HB3 . . 4.120 3.196 2.870 3.497 . 0 0 "[ . 1 . 2]" 1
1471 1 82 SER H 1 82 SER HG . . 4.300 3.179 2.119 3.655 . 0 0 "[ . 1 . 2]" 1
1472 1 82 SER H 1 83 VAL H . . 5.240 4.400 4.371 4.459 . 0 0 "[ . 1 . 2]" 1
1473 1 82 SER H 1 84 VAL H . . 5.160 4.346 4.050 4.720 . 0 0 "[ . 1 . 2]" 1
1474 1 82 SER H 1 85 GLY H . . 3.680 3.583 3.471 3.689 0.009 3 0 "[ . 1 . 2]" 1
1475 1 82 SER H 1 85 GLY QA . . 5.340 4.471 4.301 4.592 . 0 0 "[ . 1 . 2]" 1
1476 1 82 SER H 1 86 ALA HA . . 4.030 2.682 2.353 2.941 . 0 0 "[ . 1 . 2]" 1
1477 1 82 SER H 1 87 GLY H . . 4.930 4.002 3.401 4.550 . 0 0 "[ . 1 . 2]" 1
1478 1 82 SER HA 1 83 VAL H . . 3.360 2.637 2.559 2.664 . 0 0 "[ . 1 . 2]" 1
1479 1 82 SER HA 1 83 VAL MG1 . . 4.650 3.767 3.511 4.103 . 0 0 "[ . 1 . 2]" 1
1480 1 82 SER HA 1 84 VAL H . . 4.980 4.159 4.046 4.315 . 0 0 "[ . 1 . 2]" 1
1481 1 82 SER HB2 1 83 VAL H . . 3.410 1.999 1.916 2.129 . 0 0 "[ . 1 . 2]" 1
1482 1 82 SER HB2 1 83 VAL MG1 . . 4.800 4.381 4.143 4.638 . 0 0 "[ . 1 . 2]" 1
1483 1 82 SER HB2 1 83 VAL MG2 . . 5.150 3.183 3.006 3.293 . 0 0 "[ . 1 . 2]" 1
1484 1 82 SER HB2 1 84 VAL H . . 4.610 2.592 2.265 3.051 . 0 0 "[ . 1 . 2]" 1
1485 1 82 SER HB2 1 84 VAL MG1 . . 4.810 3.138 2.803 3.552 . 0 0 "[ . 1 . 2]" 1
1486 1 82 SER HB3 1 83 VAL H . . 3.810 3.472 3.242 3.619 . 0 0 "[ . 1 . 2]" 1
1487 1 82 SER HB3 1 83 VAL MG1 . . 5.500 5.401 5.184 5.503 0.003 15 0 "[ . 1 . 2]" 1
1488 1 82 SER HB3 1 83 VAL MG2 . . 5.500 4.581 4.195 4.782 . 0 0 "[ . 1 . 2]" 1
1489 1 82 SER HB3 1 84 VAL H . . 4.440 4.016 3.977 4.156 . 0 0 "[ . 1 . 2]" 1
1490 1 82 SER HB3 1 84 VAL MG1 . . 5.500 3.914 3.815 4.043 . 0 0 "[ . 1 . 2]" 1
1491 1 82 SER HB3 1 85 GLY H . . 4.820 4.442 4.031 4.763 . 0 0 "[ . 1 . 2]" 1
1492 1 82 SER HG 1 83 VAL H . . 4.590 4.029 2.956 4.501 . 0 0 "[ . 1 . 2]" 1
1493 1 82 SER HG 1 84 VAL H . . 3.930 3.173 1.897 3.918 . 0 0 "[ . 1 . 2]" 1
1494 1 82 SER HG 1 84 VAL MG1 . . 4.360 2.477 1.978 3.376 . 0 0 "[ . 1 . 2]" 1
1495 1 82 SER HG 1 85 GLY H . . 3.870 2.945 1.917 3.572 . 0 0 "[ . 1 . 2]" 1
1496 1 83 VAL H 1 83 VAL HB . . 3.760 3.619 3.538 3.655 . 0 0 "[ . 1 . 2]" 1
1497 1 83 VAL H 1 83 VAL MG1 . . 3.200 2.723 2.407 3.017 . 0 0 "[ . 1 . 2]" 1
1498 1 83 VAL H 1 83 VAL MG2 . . 3.570 1.911 1.811 1.997 . 0 0 "[ . 1 . 2]" 1
1499 1 83 VAL H 1 84 VAL H . . 3.620 2.376 2.266 2.548 . 0 0 "[ . 1 . 2]" 1
1500 1 83 VAL H 1 84 VAL HA . . 5.500 4.956 4.907 5.022 . 0 0 "[ . 1 . 2]" 1
1501 1 83 VAL H 1 84 VAL MG1 . . 4.830 4.004 3.664 4.237 . 0 0 "[ . 1 . 2]" 1
1502 1 83 VAL H 1 84 VAL MG2 . . 5.500 5.506 5.477 5.571 0.071 15 0 "[ . 1 . 2]" 1
1503 1 83 VAL H 1 85 GLY H . . 4.710 3.926 3.760 4.053 . 0 0 "[ . 1 . 2]" 1
1504 1 83 VAL HA 1 83 VAL MG1 . . 3.120 2.287 2.152 2.406 . 0 0 "[ . 1 . 2]" 1
1505 1 83 VAL HA 1 83 VAL MG2 . . 3.510 3.184 3.148 3.202 . 0 0 "[ . 1 . 2]" 1
1506 1 83 VAL HB 1 84 VAL H . . 4.360 4.148 3.888 4.335 . 0 0 "[ . 1 . 2]" 1
1507 1 83 VAL HB 1 84 VAL MG2 . . 5.500 5.478 5.359 5.528 0.028 14 0 "[ . 1 . 2]" 1
1508 1 83 VAL MG2 1 84 VAL H . . 3.880 2.806 2.494 3.025 . 0 0 "[ . 1 . 2]" 1
1509 1 83 VAL MG2 1 84 VAL HA . . 4.290 3.941 3.487 4.170 . 0 0 "[ . 1 . 2]" 1
1510 1 83 VAL MG2 1 85 GLY H . . 4.940 4.514 4.282 4.624 . 0 0 "[ . 1 . 2]" 1
1511 1 84 VAL H 1 84 VAL HB . . 3.840 2.742 2.529 2.903 . 0 0 "[ . 1 . 2]" 1
1512 1 84 VAL H 1 84 VAL MG1 . . 3.120 2.368 2.243 2.460 . 0 0 "[ . 1 . 2]" 1
1513 1 84 VAL H 1 84 VAL MG2 . . 3.990 3.878 3.800 3.943 . 0 0 "[ . 1 . 2]" 1
1514 1 84 VAL H 1 85 GLY H . . 3.040 2.004 1.802 2.255 . 0 0 "[ . 1 . 2]" 1
1515 1 84 VAL HA 1 84 VAL MG1 . . 3.430 3.168 3.152 3.187 . 0 0 "[ . 1 . 2]" 1
1516 1 84 VAL HA 1 84 VAL MG2 . . 3.440 2.203 2.062 2.268 . 0 0 "[ . 1 . 2]" 1
1517 1 84 VAL HB 1 85 GLY H . . 4.210 4.043 3.826 4.196 . 0 0 "[ . 1 . 2]" 1
1518 1 84 VAL MG1 1 85 GLY H . . 4.220 2.551 2.154 2.850 . 0 0 "[ . 1 . 2]" 1
1519 1 84 VAL MG1 1 85 GLY QA . . 4.250 3.025 2.786 3.258 . 0 0 "[ . 1 . 2]" 1
1520 1 84 VAL MG2 1 85 GLY H . . 4.570 4.197 4.063 4.288 . 0 0 "[ . 1 . 2]" 1
1521 1 84 VAL MG2 1 85 GLY QA . . 5.300 4.074 3.858 4.180 . 0 0 "[ . 1 . 2]" 1
1522 1 85 GLY H 1 86 ALA H . . 4.730 4.156 3.912 4.386 . 0 0 "[ . 1 . 2]" 1
1523 1 85 GLY QA 1 86 ALA MB . . 3.960 3.585 3.445 3.766 . 0 0 "[ . 1 . 2]" 1
1524 1 85 GLY HA2 1 86 ALA H . . 3.270 2.805 2.165 3.260 . 0 0 "[ . 1 . 2]" 1
1525 1 85 GLY HA2 1 86 ALA MB . . 4.580 3.868 3.752 4.004 . 0 0 "[ . 1 . 2]" 1
1526 1 85 GLY HA3 1 86 ALA H . . 3.270 2.434 2.136 3.117 . 0 0 "[ . 1 . 2]" 1
1527 1 85 GLY HA3 1 86 ALA MB . . 4.580 4.252 3.947 4.590 0.010 3 0 "[ . 1 . 2]" 1
1528 1 86 ALA H 1 86 ALA MB . . 3.110 2.529 2.033 2.863 . 0 0 "[ . 1 . 2]" 1
1529 1 86 ALA H 1 87 GLY H . . 4.860 4.257 3.942 4.648 . 0 0 "[ . 1 . 2]" 1
1530 1 86 ALA HA 1 87 GLY H . . 3.040 2.214 2.147 2.390 . 0 0 "[ . 1 . 2]" 1
1531 1 86 ALA MB 1 87 GLY H . . 3.600 3.036 2.429 3.494 . 0 0 "[ . 1 . 2]" 1
1532 1 87 GLY H 1 88 PRO QD . . 5.210 4.324 4.238 4.367 . 0 0 "[ . 1 . 2]" 1
1533 1 87 GLY QA 1 88 PRO QD . . 3.010 2.020 1.989 2.034 . 0 0 "[ . 1 . 2]" 1
1534 1 88 PRO HA 1 89 PHE H . . 2.780 2.407 2.210 2.579 . 0 0 "[ . 1 . 2]" 1
1535 1 88 PRO HA 1 89 PHE HB2 . . 4.680 4.444 4.336 4.599 . 0 0 "[ . 1 . 2]" 1
1536 1 88 PRO HB2 1 89 PHE H . . 3.520 2.615 2.197 3.189 . 0 0 "[ . 1 . 2]" 1
1537 1 88 PRO HB3 1 89 PHE H . . 3.830 3.462 3.260 3.778 . 0 0 "[ . 1 . 2]" 1
1538 1 88 PRO QG 1 89 PHE H . . 4.530 4.156 3.858 4.508 . 0 0 "[ . 1 . 2]" 1
1539 1 89 PHE H 1 89 PHE HB2 . . 3.070 2.245 2.196 2.327 . 0 0 "[ . 1 . 2]" 1
1540 1 89 PHE H 1 89 PHE HB3 . . 3.930 3.517 3.489 3.583 . 0 0 "[ . 1 . 2]" 1
1541 1 89 PHE H 1 89 PHE QD . . 3.490 3.172 2.351 3.472 . 0 0 "[ . 1 . 2]" 1
1542 1 89 PHE H 1 90 SER H . . 4.920 4.537 4.469 4.597 . 0 0 "[ . 1 . 2]" 1
1543 1 89 PHE HA 1 89 PHE QD . . 3.620 2.577 2.156 3.050 . 0 0 "[ . 1 . 2]" 1
1544 1 89 PHE HA 1 90 SER H . . 3.020 2.218 2.140 2.434 . 0 0 "[ . 1 . 2]" 1
1545 1 89 PHE HB3 1 90 SER H . . 4.080 3.094 2.416 3.502 . 0 0 "[ . 1 . 2]" 1
1546 1 89 PHE QD 1 90 SER H . . 3.900 3.162 2.807 3.543 . 0 0 "[ . 1 . 2]" 1
1547 1 90 SER H 1 90 SER HB2 . . 4.030 3.593 3.562 3.652 . 0 0 "[ . 1 . 2]" 1
1548 1 90 SER H 1 90 SER HB3 . . 3.580 2.595 2.323 2.860 . 0 0 "[ . 1 . 2]" 1
1549 1 90 SER H 1 90 SER HG . . 4.220 3.222 2.079 3.712 . 0 0 "[ . 1 . 2]" 1
1550 1 90 SER HA 1 91 GLU H . . 3.140 2.565 2.427 2.652 . 0 0 "[ . 1 . 2]" 1
1551 1 90 SER HB2 1 91 GLU H . . 3.470 2.132 1.953 2.403 . 0 0 "[ . 1 . 2]" 1
1552 1 90 SER HB2 1 91 GLU HB2 . . 4.450 4.041 3.829 4.256 . 0 0 "[ . 1 . 2]" 1
1553 1 90 SER HB2 1 93 VAL MG2 . . 4.650 4.582 4.380 4.649 . 0 0 "[ . 1 . 2]" 1
1554 1 90 SER HB3 1 91 GLU H . . 3.950 3.592 3.423 3.775 . 0 0 "[ . 1 . 2]" 1
1555 1 90 SER HG 1 91 GLU H . . 4.120 3.371 2.814 4.053 . 0 0 "[ . 1 . 2]" 1
1556 1 91 GLU H 1 91 GLU HB2 . . 3.330 2.394 2.196 2.619 . 0 0 "[ . 1 . 2]" 1
1557 1 91 GLU H 1 91 GLU HB3 . . 3.700 3.570 3.499 3.620 . 0 0 "[ . 1 . 2]" 1
1558 1 91 GLU H 1 91 GLU HG2 . . 4.040 3.395 2.789 3.976 . 0 0 "[ . 1 . 2]" 1
1559 1 91 GLU H 1 91 GLU QG . . 3.460 2.471 1.942 3.045 . 0 0 "[ . 1 . 2]" 1
1560 1 91 GLU H 1 91 GLU HG3 . . 4.040 2.734 1.953 4.038 . 0 0 "[ . 1 . 2]" 1
1561 1 91 GLU HA 1 91 GLU HG2 . . 3.830 2.621 2.322 3.552 . 0 0 "[ . 1 . 2]" 1
1562 1 91 GLU HA 1 91 GLU QG . . 3.340 2.445 2.248 2.710 . 0 0 "[ . 1 . 2]" 1
1563 1 91 GLU HA 1 91 GLU HG3 . . 3.830 3.133 2.406 3.652 . 0 0 "[ . 1 . 2]" 1
1564 1 91 GLU HA 1 92 VAL H . . 2.720 2.141 2.138 2.143 . 0 0 "[ . 1 . 2]" 1
1565 1 91 GLU HA 1 92 VAL HB . . 4.620 4.561 4.440 4.620 0.000 16 0 "[ . 1 . 2]" 1
1566 1 91 GLU HA 1 92 VAL MG2 . . 4.050 3.776 3.676 4.004 . 0 0 "[ . 1 . 2]" 1
1567 1 91 GLU HB2 1 92 VAL H . . 4.560 4.391 4.267 4.480 . 0 0 "[ . 1 . 2]" 1
1568 1 91 GLU HB3 1 92 VAL H . . 3.620 3.576 3.505 3.619 . 0 0 "[ . 1 . 2]" 1
1569 1 91 GLU HB3 1 92 VAL HB . . 5.500 5.037 4.903 5.119 . 0 0 "[ . 1 . 2]" 1
1570 1 91 GLU HB3 1 92 VAL MG2 . . 5.500 5.148 5.009 5.337 . 0 0 "[ . 1 . 2]" 1
1571 1 91 GLU QG 1 92 VAL H . . 4.540 4.251 3.960 4.514 . 0 0 "[ . 1 . 2]" 1
1572 1 91 GLU HG2 1 92 VAL H . . 5.370 4.572 4.131 5.357 . 0 0 "[ . 1 . 2]" 1
1573 1 91 GLU HG3 1 92 VAL H . . 5.370 5.133 4.487 5.370 . 0 0 "[ . 1 . 2]" 1
1574 1 92 VAL H 1 92 VAL HB . . 2.930 2.600 2.491 2.718 . 0 0 "[ . 1 . 2]" 1
1575 1 92 VAL H 1 92 VAL MG1 . . 3.930 3.771 3.762 3.785 . 0 0 "[ . 1 . 2]" 1
1576 1 92 VAL H 1 92 VAL MG2 . . 3.150 2.052 1.920 2.267 . 0 0 "[ . 1 . 2]" 1
1577 1 92 VAL H 1 93 VAL H . . 4.660 4.484 4.387 4.608 . 0 0 "[ . 1 . 2]" 1
1578 1 92 VAL HA 1 92 VAL MG1 . . 3.300 2.436 2.306 2.537 . 0 0 "[ . 1 . 2]" 1
1579 1 92 VAL HA 1 92 VAL MG2 . . 3.340 2.332 2.262 2.414 . 0 0 "[ . 1 . 2]" 1
1580 1 92 VAL HA 1 93 VAL H . . 2.760 2.149 2.140 2.208 . 0 0 "[ . 1 . 2]" 1
1581 1 92 VAL MG1 1 93 VAL H . . 3.310 2.687 2.228 2.953 . 0 0 "[ . 1 . 2]" 1
1582 1 92 VAL MG2 1 93 VAL H . . 4.150 4.007 3.755 4.120 . 0 0 "[ . 1 . 2]" 1
1583 1 93 VAL H 1 93 VAL HB . . 3.290 2.587 2.477 2.729 . 0 0 "[ . 1 . 2]" 1
1584 1 93 VAL H 1 93 VAL MG1 . . 4.050 3.820 3.779 3.872 . 0 0 "[ . 1 . 2]" 1
1585 1 93 VAL H 1 93 VAL MG2 . . 3.690 2.470 2.239 2.763 . 0 0 "[ . 1 . 2]" 1
1586 1 93 VAL H 1 94 ALA H . . 4.840 4.213 4.119 4.394 . 0 0 "[ . 1 . 2]" 1
1587 1 93 VAL HA 1 93 VAL MG1 . . 3.450 2.330 2.188 2.440 . 0 0 "[ . 1 . 2]" 1
1588 1 93 VAL HA 1 93 VAL MG2 . . 3.360 2.402 2.306 2.498 . 0 0 "[ . 1 . 2]" 1
1589 1 93 VAL HA 1 94 ALA H . . 2.620 2.168 2.140 2.182 . 0 0 "[ . 1 . 2]" 1
1590 1 93 VAL HB 1 94 ALA H . . 4.630 4.369 4.256 4.440 . 0 0 "[ . 1 . 2]" 1
1591 1 93 VAL MG1 1 94 ALA H . . 3.560 3.035 2.585 3.227 . 0 0 "[ . 1 . 2]" 1
1592 1 93 VAL MG1 1 95 CYS H . . 5.170 4.919 4.667 5.168 . 0 0 "[ . 1 . 2]" 1
1593 1 93 VAL MG1 1 95 CYS QB . . 4.510 3.375 3.064 3.721 . 0 0 "[ . 1 . 2]" 1
1594 1 94 ALA H 1 94 ALA MB . . 2.910 2.230 2.093 2.286 . 0 0 "[ . 1 . 2]" 1
1595 1 94 ALA H 1 95 CYS H . . 4.640 4.604 4.575 4.624 . 0 0 "[ . 1 . 2]" 1
1596 1 94 ALA HA 1 95 CYS H . . 2.660 2.270 2.212 2.371 . 0 0 "[ . 1 . 2]" 1
1597 1 94 ALA MB 1 95 CYS H . . 3.260 2.723 2.494 2.918 . 0 0 "[ . 1 . 2]" 1
1598 1 94 ALA MB 1 95 CYS QB . . 4.840 4.469 4.408 4.589 . 0 0 "[ . 1 . 2]" 1
1599 1 95 CYS H 1 95 CYS HB2 . . 4.110 3.991 3.927 4.026 . 0 0 "[ . 1 . 2]" 1
1600 1 95 CYS H 1 95 CYS QB . . 3.490 3.171 3.001 3.301 . 0 0 "[ . 1 . 2]" 1
1601 1 95 CYS H 1 95 CYS HB3 . . 4.110 3.330 3.106 3.545 . 0 0 "[ . 1 . 2]" 1
1602 1 95 CYS H 1 95 CYS HG . . 4.410 3.556 2.396 4.400 . 0 0 "[ . 1 . 2]" 1
1603 1 95 CYS H 1 96 VAL H . . 4.380 4.160 4.060 4.384 0.004 5 0 "[ . 1 . 2]" 1
1604 1 95 CYS H 1 96 VAL MG2 . . 4.640 3.818 3.575 4.012 . 0 0 "[ . 1 . 2]" 1
1605 1 95 CYS HA 1 96 VAL H . . 2.790 2.177 2.145 2.352 . 0 0 "[ . 1 . 2]" 1
1606 1 95 CYS QB 1 96 VAL H . . 3.250 3.107 2.676 3.251 0.001 18 0 "[ . 1 . 2]" 1
1607 1 96 VAL H 1 96 VAL HB . . 3.150 2.611 2.511 2.714 . 0 0 "[ . 1 . 2]" 1
1608 1 96 VAL H 1 96 VAL MG1 . . 4.010 3.837 3.793 3.880 . 0 0 "[ . 1 . 2]" 1
1609 1 96 VAL H 1 96 VAL MG2 . . 3.410 2.710 2.504 3.038 . 0 0 "[ . 1 . 2]" 1
1610 1 96 VAL H 1 97 THR H . . 4.540 4.334 4.219 4.463 . 0 0 "[ . 1 . 2]" 1
1611 1 96 VAL HA 1 96 VAL MG1 . . 3.430 2.364 2.257 2.447 . 0 0 "[ . 1 . 2]" 1
1612 1 96 VAL HA 1 96 VAL MG2 . . 3.490 2.358 2.253 2.471 . 0 0 "[ . 1 . 2]" 1
1613 1 96 VAL HA 1 97 THR H . . 2.730 2.147 2.139 2.184 . 0 0 "[ . 1 . 2]" 1
1614 1 96 VAL HA 1 97 THR MG . . 5.450 3.909 3.571 4.250 . 0 0 "[ . 1 . 2]" 1
1615 1 96 VAL HB 1 97 THR H . . 4.610 4.233 3.965 4.361 . 0 0 "[ . 1 . 2]" 1
1616 1 96 VAL MG1 1 97 THR H . . 3.350 2.609 2.230 2.875 . 0 0 "[ . 1 . 2]" 1
1617 1 96 VAL MG1 1 97 THR MG . . 4.660 4.346 4.165 4.608 . 0 0 "[ . 1 . 2]" 1
1618 1 96 VAL MG2 1 97 THR H . . 4.380 4.077 3.927 4.200 . 0 0 "[ . 1 . 2]" 1
1619 1 97 THR H 1 97 THR HG1 . . 3.880 2.747 2.013 3.484 . 0 0 "[ . 1 . 2]" 1
1620 1 97 THR H 1 97 THR MG . . 3.290 2.464 2.092 2.872 . 0 0 "[ . 1 . 2]" 1
1621 1 97 THR H 1 98 PRO QD . . 4.580 4.358 4.337 4.374 . 0 0 "[ . 1 . 2]" 1
1622 1 97 THR HG1 1 97 THR MG . . 3.410 2.604 1.972 3.030 . 0 0 "[ . 1 . 2]" 1
1623 1 97 THR MG 1 98 PRO QD . . 3.790 2.910 2.550 3.184 . 0 0 "[ . 1 . 2]" 1
1624 1 98 PRO HB2 1 99 PRO HD2 . . 3.600 2.713 2.638 2.786 . 0 0 "[ . 1 . 2]" 1
1625 1 98 PRO HB3 1 99 PRO HD2 . . 3.580 3.068 3.023 3.111 . 0 0 "[ . 1 . 2]" 1
1626 1 98 PRO HB3 1 99 PRO HD3 . . 4.380 4.137 4.094 4.179 . 0 0 "[ . 1 . 2]" 1
1627 1 99 PRO HA 1 100 SER H . . 2.910 2.178 2.160 2.251 . 0 0 "[ . 1 . 2]" 1
1628 1 99 PRO QB 1 100 SER H . . 3.280 3.165 2.903 3.251 . 0 0 "[ . 1 . 2]" 1
1629 1 99 PRO HB2 1 100 SER H . . 4.050 3.355 3.038 3.459 . 0 0 "[ . 1 . 2]" 1
1630 1 99 PRO HB3 1 100 SER H . . 4.050 3.883 3.687 3.951 . 0 0 "[ . 1 . 2]" 1
1631 1 100 SER H 1 100 SER HB2 . . 3.990 2.894 2.495 3.739 . 0 0 "[ . 1 . 2]" 1
1632 1 100 SER H 1 100 SER HB3 . . 3.530 2.589 2.351 2.830 . 0 0 "[ . 1 . 2]" 1
1633 1 102 GLY QA 1 103 PRO QD . . 2.860 1.960 1.884 2.033 . 0 0 "[ . 1 . 2]" 1
1634 1 102 GLY QA 1 103 PRO QG . . 4.510 3.687 3.651 3.753 . 0 0 "[ . 1 . 2]" 1
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