NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597971 |
2mqp   |
25042 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqp
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 4000
_Distance_constraint_stats_list.Viol_count 4114
_Distance_constraint_stats_list.Viol_total 200344.453
_Distance_constraint_stats_list.Viol_max 11.635
_Distance_constraint_stats_list.Viol_rms 0.8297
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1252
_Distance_constraint_stats_list.Viol_average_violations_only 2.4349
_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 1 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.671 0.153 13 0 "[ . 1 . 2]"
1 3 ILE 1.275 0.212 6 0 "[ . 1 . 2]"
1 4 SER 1.265 0.326 20 0 "[ . 1 . 2]"
1 5 ARG 0.954 0.326 20 0 "[ . 1 . 2]"
1 6 PRO 0.487 0.203 13 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 1.412 0.203 13 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.086 0.054 3 0 "[ . 1 . 2]"
1 11 ASP 0.145 0.058 15 0 "[ . 1 . 2]"
1 12 SER 0.717 0.124 3 0 "[ . 1 . 2]"
1 13 ARG 3.837 0.186 20 0 "[ . 1 . 2]"
1 14 SER 2.844 0.186 20 0 "[ . 1 . 2]"
1 15 VAL 0.967 0.124 3 0 "[ . 1 . 2]"
1 16 ASN 1.808 0.215 11 0 "[ . 1 . 2]"
1 17 SER 1.736 0.130 15 0 "[ . 1 . 2]"
1 18 VAL 191.889 7.362 6 20 [*****+********-*****]
1 19 LEU 0.632 0.083 2 0 "[ . 1 . 2]"
1 20 LEU 897.654 6.893 18 20 [***********-*****+**]
1 21 PHE 4.041 0.154 13 0 "[ . 1 . 2]"
1 22 THR 516.718 11.035 2 20 [*+******-***********]
1 23 ILE 88.268 4.626 12 20 [***-*******+********]
1 24 LEU 334.775 9.821 17 20 [****-***********+***]
1 25 ASN 1.928 0.128 12 0 "[ . 1 . 2]"
1 26 PRO 1.760 0.073 12 0 "[ . 1 . 2]"
1 27 ILE 0.252 0.029 1 0 "[ . 1 . 2]"
1 28 TYR 0.801 0.047 6 0 "[ . 1 . 2]"
1 29 SER 0.278 0.074 17 0 "[ . 1 . 2]"
1 30 ILE 2.007 0.435 4 0 "[ . 1 . 2]"
1 31 THR 3.964 1.633 4 1 "[ +. 1 . 2]"
1 32 THR 1.831 0.144 7 0 "[ . 1 . 2]"
1 33 ASP 1.770 0.091 20 0 "[ . 1 . 2]"
1 34 VAL 0.184 0.045 8 0 "[ . 1 . 2]"
1 35 LEU 1.042 0.076 14 0 "[ . 1 . 2]"
1 36 TYR 2.389 0.110 15 0 "[ . 1 . 2]"
1 37 THR 1.962 0.091 20 0 "[ . 1 . 2]"
1 38 ILE 2.960 0.088 9 0 "[ . 1 . 2]"
1 39 CYS 0.386 0.059 9 0 "[ . 1 . 2]"
1 40 ASN 2.195 0.110 15 0 "[ . 1 . 2]"
1 41 PRO 0.381 0.037 1 0 "[ . 1 . 2]"
1 42 CYS 0.017 0.010 7 0 "[ . 1 . 2]"
1 43 GLY 0.112 0.021 3 0 "[ . 1 . 2]"
1 44 PRO 0.250 0.094 7 0 "[ . 1 . 2]"
1 45 VAL 0.562 0.104 10 0 "[ . 1 . 2]"
1 46 GLN 1.330 0.063 2 0 "[ . 1 . 2]"
1 47 ARG 3.990 0.187 12 0 "[ . 1 . 2]"
1 48 ILE 0.682 0.080 12 0 "[ . 1 . 2]"
1 49 VAL 85.146 4.739 10 20 [*****-***+**********]
1 50 ILE 1.808 0.142 6 0 "[ . 1 . 2]"
1 51 PHE 367.890 6.926 19 20 [******************+-]
1 52 ARG 4.355 1.633 4 1 "[ +. 1 . 2]"
1 53 LYS 438.085 6.097 19 20 [******************+-]
1 54 ASN 526.731 7.574 15 20 [********-*****+*****]
1 55 GLY 398.680 11.635 20 20 [**********-********+]
1 56 VAL 492.165 9.620 12 20 [***********+**-*****]
1 57 GLN 318.299 6.030 17 20 [********-*******+***]
1 58 ALA 0.187 0.057 17 0 "[ . 1 . 2]"
1 59 MET 941.712 7.211 12 20 [***********+********]
1 60 VAL 0.141 0.023 1 0 "[ . 1 . 2]"
1 61 GLU 262.412 7.867 6 20 [*****+************-*]
1 62 PHE 1.756 0.109 16 0 "[ . 1 . 2]"
1 63 ASP 0.106 0.026 10 0 "[ . 1 . 2]"
1 64 SER 0.074 0.035 15 0 "[ . 1 . 2]"
1 65 VAL 1.797 0.215 11 0 "[ . 1 . 2]"
1 66 GLN 0.979 0.183 7 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.033 0.020 18 0 "[ . 1 . 2]"
1 69 GLN 1.888 0.137 4 0 "[ . 1 . 2]"
1 70 ARG 0.746 0.183 7 0 "[ . 1 . 2]"
1 71 ALA 1.013 0.063 11 0 "[ . 1 . 2]"
1 72 LYS 2.051 0.084 15 0 "[ . 1 . 2]"
1 73 ALA 0.191 0.037 3 0 "[ . 1 . 2]"
1 74 SER 0.707 0.061 13 0 "[ . 1 . 2]"
1 75 LEU 0.880 0.070 20 0 "[ . 1 . 2]"
1 76 ASN 1.585 0.082 17 0 "[ . 1 . 2]"
1 77 GLY 1.436 0.106 11 0 "[ . 1 . 2]"
1 78 ALA 0.233 0.032 7 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 4.635 0.102 13 0 "[ . 1 . 2]"
1 81 TYR 3.419 0.099 17 0 "[ . 1 . 2]"
1 82 SER 1.548 0.099 17 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 CYS 2.226 0.083 12 0 "[ . 1 . 2]"
1 85 CYS 1.102 0.073 12 0 "[ . 1 . 2]"
1 86 THR 3.357 0.189 12 0 "[ . 1 . 2]"
1 87 LEU 2.435 0.080 6 0 "[ . 1 . 2]"
1 88 LYS 3.433 0.180 5 0 "[ . 1 . 2]"
1 89 ILE 2.785 0.080 6 0 "[ . 1 . 2]"
1 90 GLU 413.326 11.102 18 20 [*****-***********+**]
1 91 TYR 2.086 0.137 4 0 "[ . 1 . 2]"
1 92 ALA 453.128 7.891 6 20 [*****+***-**********]
1 93 LYS 1192.401 8.167 11 20 [*****-****+*********]
1 94 PRO 882.487 6.732 20 20 [**************-****+]
1 95 THR 0.846 0.163 17 0 "[ . 1 . 2]"
1 96 ARG 1.230 0.090 16 0 "[ . 1 . 2]"
1 97 LEU 493.433 6.332 12 20 [***********+**-*****]
1 98 ASN 401.744 7.505 11 20 [**********+*-*******]
1 99 VAL 2.723 0.119 11 0 "[ . 1 . 2]"
1 100 PHE 0.579 0.099 10 0 "[ . 1 . 2]"
1 101 LYS 0.177 0.099 10 0 "[ . 1 . 2]"
1 102 ASN 0.021 0.021 16 0 "[ . 1 . 2]"
1 103 ASP 0.546 0.045 13 0 "[ . 1 . 2]"
1 104 GLN 2.343 0.101 18 0 "[ . 1 . 2]"
1 105 ASP 0.854 0.142 6 0 "[ . 1 . 2]"
1 106 THR 0.604 0.068 14 0 "[ . 1 . 2]"
1 107 TRP 0.845 0.096 10 0 "[ . 1 . 2]"
1 108 ASP 0.203 0.067 6 0 "[ . 1 . 2]"
1 109 TYR 0.209 0.029 16 0 "[ . 1 . 2]"
1 110 THR 3.389 0.085 8 0 "[ . 1 . 2]"
1 111 ASN 3.422 0.089 7 0 "[ . 1 . 2]"
1 112 PRO 1.817 0.089 7 0 "[ . 1 . 2]"
1 113 ASN 0.069 0.023 12 0 "[ . 1 . 2]"
1 114 LEU 1.073 0.085 5 0 "[ . 1 . 2]"
2 3 A 2730.817 11.635 20 20 [*******************+]
2 4 C 3351.758 11.102 18 20 [**********-******+**]
2 5 A 2713.896 7.891 6 20 [*****+**************]
2 6 C 1386.814 7.505 11 20 [**********+*-*******]
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 1 GLN QG 1 2 LYS H . . 5.570 3.258 2.308 4.320 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 2 LYS QE . . 5.790 3.683 2.606 4.815 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 ILE H . . 5.090 2.509 2.166 3.562 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HA 1 3 ILE HB . . 5.930 4.810 4.310 5.694 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 3 ILE MG . . 5.930 5.303 3.358 6.033 0.103 7 0 "[ . 1 . 2]" 1
6 1 2 LYS QB 1 3 ILE H . . 5.650 3.491 2.298 3.995 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS QB 1 3 ILE QG . . 5.880 4.817 2.889 5.920 0.040 14 0 "[ . 1 . 2]" 1
8 1 2 LYS QD 1 3 ILE HB . . 5.510 4.292 2.259 5.663 0.153 13 0 "[ . 1 . 2]" 1
9 1 2 LYS QD 1 3 ILE QG . . 5.480 4.244 3.225 5.573 0.093 5 0 "[ . 1 . 2]" 1
10 1 2 LYS QD 1 3 ILE MG . . 5.830 4.740 2.251 5.895 0.065 6 0 "[ . 1 . 2]" 1
11 1 2 LYS QE 1 3 ILE QG . . 5.890 5.172 3.628 5.895 0.005 9 0 "[ . 1 . 2]" 1
12 1 2 LYS QG 1 3 ILE QG . . 5.830 4.261 2.017 5.848 0.018 14 0 "[ . 1 . 2]" 1
13 1 2 LYS QG 1 3 ILE MG . . 5.900 4.477 2.208 5.276 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE H 1 3 ILE HG12 . . 5.530 3.363 2.051 5.091 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE H 1 3 ILE HG13 . . 5.530 3.248 1.999 4.739 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE H 1 4 SER H . . 5.770 4.363 2.650 4.673 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 4 SER HA . . 5.930 5.393 4.748 6.142 0.212 6 0 "[ . 1 . 2]" 1
18 1 3 ILE HA 1 4 SER H . . 5.270 2.367 2.134 3.475 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE HA 1 4 SER QB . . 5.820 4.314 3.938 5.431 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE HB 1 4 SER H . . 5.790 4.052 3.880 4.340 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HB 1 4 SER HA . . 5.930 5.089 4.567 6.056 0.126 5 0 "[ . 1 . 2]" 1
22 1 3 ILE HB 1 4 SER QB . . 5.900 5.495 4.287 5.972 0.072 13 0 "[ . 1 . 2]" 1
23 1 3 ILE MG 1 4 SER H . . 5.730 2.702 2.193 4.320 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE MG 1 4 SER HA . . 5.750 3.782 3.219 5.451 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE MG 1 5 ARG H . . 5.870 4.809 1.736 5.915 0.045 6 0 "[ . 1 . 2]" 1
26 1 3 ILE MG 1 5 ARG QG . . 5.710 4.038 2.344 5.775 0.065 6 0 "[ . 1 . 2]" 1
27 1 4 SER HA 1 5 ARG H . . 5.170 2.451 2.150 3.191 . 0 0 "[ . 1 . 2]" 1
28 1 4 SER HA 1 5 ARG HB2 . . 6.000 4.862 4.299 6.317 0.317 13 0 "[ . 1 . 2]" 1
29 1 4 SER HA 1 5 ARG HB3 . . 6.000 5.536 4.394 6.326 0.326 20 0 "[ . 1 . 2]" 1
30 1 4 SER HA 1 5 ARG QD . . 5.930 5.334 4.337 5.973 0.043 5 0 "[ . 1 . 2]" 1
31 1 4 SER HA 1 5 ARG QG . . 5.870 3.753 3.308 5.957 0.087 20 0 "[ . 1 . 2]" 1
32 1 4 SER HB2 1 5 ARG QG . . 5.930 5.161 4.238 5.912 . 0 0 "[ . 1 . 2]" 1
33 1 4 SER HB3 1 5 ARG QG . . 5.930 5.341 4.722 5.938 0.008 13 0 "[ . 1 . 2]" 1
34 1 4 SER QB 1 5 ARG QB . . 5.880 4.921 4.274 5.450 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG H 1 6 PRO HA . . 5.810 5.085 4.676 5.740 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG H 1 6 PRO QD . . 5.880 3.496 1.585 4.440 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG HB2 1 6 PRO HD2 . . 5.720 3.337 2.089 3.986 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG HB2 1 6 PRO HD3 . . 5.720 3.551 2.054 4.976 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG HB3 1 6 PRO HD2 . . 5.720 3.339 2.123 4.844 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG HB3 1 6 PRO HD3 . . 5.720 3.663 2.912 4.487 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG QB 1 6 PRO HA . . 5.710 4.417 3.991 4.812 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG QB 1 6 PRO QB . . 6.000 4.632 4.231 4.872 . 0 0 "[ . 1 . 2]" 1
43 1 5 ARG QB 1 6 PRO QD . . 5.220 2.162 2.028 2.437 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG QB 1 6 PRO QG . . 5.880 3.759 3.497 4.252 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG QD 1 6 PRO HD2 . . 6.000 4.419 3.263 5.525 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG QD 1 6 PRO HD3 . . 6.000 4.867 3.782 5.572 . 0 0 "[ . 1 . 2]" 1
47 1 5 ARG QD 1 6 PRO QD . . 5.660 3.929 3.146 4.522 . 0 0 "[ . 1 . 2]" 1
48 1 5 ARG QG 1 6 PRO HD2 . . 5.710 3.943 2.941 5.276 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG QG 1 6 PRO HD3 . . 5.710 4.179 3.517 5.145 . 0 0 "[ . 1 . 2]" 1
50 1 5 ARG QG 1 6 PRO QD . . 5.490 3.507 2.862 4.141 . 0 0 "[ . 1 . 2]" 1
51 1 6 PRO HA 1 7 GLY QA . . 5.730 4.161 3.922 4.496 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO HA 1 8 ASP H . . 5.740 3.648 3.143 5.943 0.203 13 0 "[ . 1 . 2]" 1
53 1 6 PRO HA 1 8 ASP QB . . 6.000 4.989 3.948 6.195 0.195 13 0 "[ . 1 . 2]" 1
54 1 6 PRO HA 1 9 SER H . . 5.930 4.286 3.657 5.202 . 0 0 "[ . 1 . 2]" 1
55 1 6 PRO QB 1 8 ASP H . . 5.790 4.115 2.188 5.811 0.021 13 0 "[ . 1 . 2]" 1
56 1 6 PRO QD 1 7 GLY H . . 5.830 4.175 2.633 4.998 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLY H 1 8 ASP H . . 5.720 2.734 2.458 4.631 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLY QA 1 8 ASP H . . 5.160 2.915 2.163 2.984 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLY QA 1 8 ASP QB . . 5.740 4.219 3.619 4.702 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLY QA 1 9 SER H . . 5.820 3.929 3.303 4.883 . 0 0 "[ . 1 . 2]" 1
61 1 8 ASP H 1 13 ARG HB3 . . 6.000 5.750 4.024 6.151 0.151 16 0 "[ . 1 . 2]" 1
62 1 8 ASP H 1 9 SER H . . 5.430 2.413 1.845 2.806 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASP H 1 9 SER HA . . 5.850 4.963 4.597 5.381 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASP QB 1 9 SER H . . 5.560 3.131 2.427 3.960 . 0 0 "[ . 1 . 2]" 1
65 1 8 ASP QB 1 9 SER HA . . 5.750 4.443 4.158 5.086 . 0 0 "[ . 1 . 2]" 1
66 1 9 SER H 1 10 ASP H . . 5.770 4.646 4.338 4.697 . 0 0 "[ . 1 . 2]" 1
67 1 9 SER HA 1 10 ASP H . . 5.280 2.318 2.254 2.365 . 0 0 "[ . 1 . 2]" 1
68 1 9 SER HA 1 10 ASP HA . . 5.700 4.302 4.224 4.362 . 0 0 "[ . 1 . 2]" 1
69 1 9 SER HA 1 10 ASP QB . . 5.900 4.469 4.093 4.609 . 0 0 "[ . 1 . 2]" 1
70 1 9 SER HA 1 11 ASP H . . 5.780 4.033 3.853 4.285 . 0 0 "[ . 1 . 2]" 1
71 1 9 SER QB 1 10 ASP H . . 5.680 3.135 2.610 3.653 . 0 0 "[ . 1 . 2]" 1
72 1 9 SER QB 1 11 ASP H . . 5.660 2.933 2.630 3.268 . 0 0 "[ . 1 . 2]" 1
73 1 10 ASP HA 1 13 ARG HG2 . . 5.490 4.539 3.593 5.209 . 0 0 "[ . 1 . 2]" 1
74 1 10 ASP HA 1 13 ARG HG3 . . 5.430 3.370 2.243 4.120 . 0 0 "[ . 1 . 2]" 1
75 1 10 ASP HA 1 13 ARG QD . . 5.260 2.559 2.217 3.669 . 0 0 "[ . 1 . 2]" 1
76 1 10 ASP HA 1 14 SER H . . 5.000 3.695 3.293 4.180 . 0 0 "[ . 1 . 2]" 1
77 1 10 ASP HA 1 14 SER HB2 . . 5.220 2.945 2.294 4.841 . 0 0 "[ . 1 . 2]" 1
78 1 10 ASP HA 1 14 SER HB3 . . 5.220 4.403 4.000 4.756 . 0 0 "[ . 1 . 2]" 1
79 1 10 ASP QB 1 13 ARG QD . . 5.790 3.916 3.229 4.773 . 0 0 "[ . 1 . 2]" 1
80 1 10 ASP QB 1 14 SER H . . 5.690 4.491 3.957 5.744 0.054 3 0 "[ . 1 . 2]" 1
81 1 10 ASP QB 1 14 SER QB . . 5.550 2.745 2.031 4.266 . 0 0 "[ . 1 . 2]" 1
82 1 10 ASP QB 1 15 VAL QG . . 5.890 4.378 4.018 4.932 . 0 0 "[ . 1 . 2]" 1
83 1 10 ASP QB 1 91 TYR QD . . 5.830 2.817 2.153 4.579 . 0 0 "[ . 1 . 2]" 1
84 1 11 ASP H 1 15 VAL QG . . 5.920 4.240 4.097 4.425 . 0 0 "[ . 1 . 2]" 1
85 1 11 ASP HA 1 15 VAL HA . . 5.930 4.703 4.036 5.085 . 0 0 "[ . 1 . 2]" 1
86 1 11 ASP HA 1 15 VAL MG1 . . 5.500 2.190 2.025 2.458 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASP HA 1 15 VAL MG2 . . 5.500 4.326 4.103 4.723 . 0 0 "[ . 1 . 2]" 1
88 1 11 ASP HA 1 15 VAL QG . . 5.140 2.184 2.023 2.446 . 0 0 "[ . 1 . 2]" 1
89 1 11 ASP HA 1 65 VAL QG . . 5.770 4.713 4.513 5.075 . 0 0 "[ . 1 . 2]" 1
90 1 11 ASP HA 1 69 GLN HB3 . . 5.930 5.617 5.096 5.966 0.036 10 0 "[ . 1 . 2]" 1
91 1 11 ASP HA 1 69 GLN HE21 . . 5.310 2.988 2.574 3.767 . 0 0 "[ . 1 . 2]" 1
92 1 11 ASP HA 1 69 GLN HE22 . . 5.340 4.106 3.705 5.094 . 0 0 "[ . 1 . 2]" 1
93 1 11 ASP HA 1 69 GLN HG2 . . 5.570 3.594 3.251 4.052 . 0 0 "[ . 1 . 2]" 1
94 1 11 ASP HA 1 91 TYR QD . . 5.880 4.363 3.275 4.683 . 0 0 "[ . 1 . 2]" 1
95 1 11 ASP HA 1 91 TYR QE . . 5.770 3.273 2.375 3.568 . 0 0 "[ . 1 . 2]" 1
96 1 11 ASP QB 1 12 SER H . . 5.620 3.635 3.411 4.014 . 0 0 "[ . 1 . 2]" 1
97 1 11 ASP QB 1 12 SER HA . . 5.850 4.432 4.352 4.630 . 0 0 "[ . 1 . 2]" 1
98 1 11 ASP QB 1 12 SER HB2 . . 5.930 4.823 3.919 5.830 . 0 0 "[ . 1 . 2]" 1
99 1 11 ASP QB 1 12 SER HB3 . . 5.930 4.843 3.783 5.988 0.058 15 0 "[ . 1 . 2]" 1
100 1 11 ASP QB 1 15 VAL MG1 . . 5.810 3.470 3.112 3.735 . 0 0 "[ . 1 . 2]" 1
101 1 11 ASP QB 1 15 VAL MG2 . . 5.810 5.110 4.840 5.576 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP QB 1 15 VAL QG . . 5.590 3.414 3.085 3.658 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP QB 1 69 GLN HE22 . . 5.830 3.137 2.813 4.163 . 0 0 "[ . 1 . 2]" 1
104 1 12 SER H 1 13 ARG H . . 5.520 1.884 1.767 1.961 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER H 1 13 ARG HG3 . . 5.820 3.200 2.976 3.379 . 0 0 "[ . 1 . 2]" 1
106 1 12 SER H 1 14 SER H . . 5.650 3.328 3.119 3.444 . 0 0 "[ . 1 . 2]" 1
107 1 12 SER H 1 15 VAL MG1 . . 5.930 3.410 3.185 3.683 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER H 1 15 VAL MG2 . . 5.930 4.503 4.051 5.137 . 0 0 "[ . 1 . 2]" 1
109 1 12 SER H 1 15 VAL QG . . 5.790 3.292 3.153 3.455 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER HA 1 15 VAL H . . 5.850 4.585 4.398 4.746 . 0 0 "[ . 1 . 2]" 1
111 1 12 SER HA 1 15 VAL HB . . 5.810 5.769 5.393 5.934 0.124 3 0 "[ . 1 . 2]" 1
112 1 12 SER HA 1 15 VAL MG1 . . 5.530 3.341 3.019 3.600 . 0 0 "[ . 1 . 2]" 1
113 1 12 SER HA 1 15 VAL MG2 . . 5.530 3.361 2.924 4.103 . 0 0 "[ . 1 . 2]" 1
114 1 12 SER HA 1 15 VAL QG . . 5.180 2.938 2.717 3.053 . 0 0 "[ . 1 . 2]" 1
115 1 12 SER QB 1 13 ARG H . . 5.430 3.672 3.379 4.028 . 0 0 "[ . 1 . 2]" 1
116 1 12 SER QB 1 13 ARG HA . . 5.620 4.603 4.439 4.824 . 0 0 "[ . 1 . 2]" 1
117 1 12 SER QB 1 13 ARG HB2 . . 6.000 5.564 5.313 6.003 0.003 5 0 "[ . 1 . 2]" 1
118 1 12 SER QB 1 13 ARG HG3 . . 5.800 3.949 3.358 5.350 . 0 0 "[ . 1 . 2]" 1
119 1 12 SER QB 1 15 VAL QG . . 5.550 4.190 3.889 4.328 . 0 0 "[ . 1 . 2]" 1
120 1 13 ARG H 1 13 ARG HG3 . . 5.260 2.549 2.294 2.679 . 0 0 "[ . 1 . 2]" 1
121 1 13 ARG H 1 13 ARG QD . . 5.660 2.862 2.561 3.941 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG H 1 14 SER H . . 5.260 1.839 1.761 1.897 . 0 0 "[ . 1 . 2]" 1
123 1 13 ARG H 1 14 SER HA . . 5.930 4.562 4.518 4.608 . 0 0 "[ . 1 . 2]" 1
124 1 13 ARG H 1 15 VAL H . . 5.830 3.373 3.265 3.486 . 0 0 "[ . 1 . 2]" 1
125 1 13 ARG H 1 15 VAL MG1 . . 5.920 3.401 3.034 3.686 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG H 1 15 VAL MG2 . . 5.920 3.888 3.389 4.710 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG H 1 15 VAL QG . . 5.790 3.129 2.989 3.251 . 0 0 "[ . 1 . 2]" 1
128 1 13 ARG HA 1 14 SER QB . . 5.900 5.143 4.841 5.291 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG HA 1 15 VAL H . . 5.700 4.091 3.969 4.170 . 0 0 "[ . 1 . 2]" 1
130 1 13 ARG HA 1 15 VAL QG . . 5.620 3.944 3.713 4.150 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG HB2 1 14 SER H . . 5.700 4.424 4.388 4.473 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG HB2 1 14 SER HA . . 5.830 4.955 4.853 5.116 . 0 0 "[ . 1 . 2]" 1
133 1 13 ARG HB2 1 14 SER QB . . 5.820 5.215 4.533 5.473 . 0 0 "[ . 1 . 2]" 1
134 1 13 ARG HB2 1 15 VAL H . . 6.000 5.863 5.779 5.931 . 0 0 "[ . 1 . 2]" 1
135 1 13 ARG HB3 1 14 SER H . . 5.600 4.577 4.396 4.620 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG HB3 1 14 SER QB . . 5.900 5.917 5.594 6.040 0.140 1 0 "[ . 1 . 2]" 1
137 1 13 ARG HB3 1 15 VAL QG . . 5.920 5.363 5.186 5.488 . 0 0 "[ . 1 . 2]" 1
138 1 13 ARG HE 1 14 SER QB . . 5.820 4.643 3.443 5.204 . 0 0 "[ . 1 . 2]" 1
139 1 13 ARG HG3 1 14 SER H . . 5.670 3.909 3.036 4.148 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG HG3 1 14 SER HA . . 5.790 5.784 4.741 5.976 0.186 20 0 "[ . 1 . 2]" 1
141 1 13 ARG HG3 1 15 VAL H . . 5.890 5.707 4.974 5.884 . 0 0 "[ . 1 . 2]" 1
142 1 13 ARG QD 1 14 SER H . . 5.830 3.000 2.835 3.738 . 0 0 "[ . 1 . 2]" 1
143 1 13 ARG QD 1 14 SER HA . . 5.460 3.718 3.572 3.847 . 0 0 "[ . 1 . 2]" 1
144 1 13 ARG QD 1 14 SER HB2 . . 5.820 2.988 2.665 3.939 . 0 0 "[ . 1 . 2]" 1
145 1 13 ARG QD 1 14 SER HB3 . . 5.820 3.820 2.426 4.265 . 0 0 "[ . 1 . 2]" 1
146 1 13 ARG QD 1 14 SER QB . . 5.670 2.779 2.401 3.555 . 0 0 "[ . 1 . 2]" 1
147 1 13 ARG QD 1 15 VAL H . . 5.930 4.695 4.551 5.272 . 0 0 "[ . 1 . 2]" 1
148 1 13 ARG QD 1 15 VAL MG1 . . 5.930 5.121 4.641 5.982 0.052 12 0 "[ . 1 . 2]" 1
149 1 13 ARG QD 1 15 VAL MG2 . . 5.930 5.548 5.141 5.980 0.050 11 0 "[ . 1 . 2]" 1
150 1 14 SER H 1 15 VAL H . . 5.340 1.889 1.811 1.990 . 0 0 "[ . 1 . 2]" 1
151 1 14 SER H 1 15 VAL HA . . 5.900 4.253 4.180 4.328 . 0 0 "[ . 1 . 2]" 1
152 1 14 SER H 1 15 VAL MG1 . . 5.710 2.906 2.550 3.226 . 0 0 "[ . 1 . 2]" 1
153 1 14 SER H 1 15 VAL MG2 . . 5.710 3.230 2.816 3.827 . 0 0 "[ . 1 . 2]" 1
154 1 14 SER H 1 15 VAL QG . . 5.520 2.622 2.507 2.711 . 0 0 "[ . 1 . 2]" 1
155 1 14 SER HA 1 15 VAL H . . 5.100 3.195 3.092 3.295 . 0 0 "[ . 1 . 2]" 1
156 1 14 SER HA 1 15 VAL HA . . 5.740 4.766 4.672 4.821 . 0 0 "[ . 1 . 2]" 1
157 1 14 SER HA 1 91 TYR HB3 . . 5.750 4.957 4.547 5.750 . 0 0 "[ . 1 . 2]" 1
158 1 14 SER HB2 1 91 TYR HB3 . . 5.930 3.981 2.922 5.164 . 0 0 "[ . 1 . 2]" 1
159 1 14 SER HB3 1 91 TYR HB3 . . 5.930 3.271 2.431 4.784 . 0 0 "[ . 1 . 2]" 1
160 1 14 SER QB 1 15 VAL HA . . 5.790 4.268 4.111 4.730 . 0 0 "[ . 1 . 2]" 1
161 1 14 SER QB 1 15 VAL QG . . 5.660 3.897 3.475 4.463 . 0 0 "[ . 1 . 2]" 1
162 1 14 SER QB 1 91 TYR HB3 . . 5.810 3.019 2.373 3.959 . 0 0 "[ . 1 . 2]" 1
163 1 14 SER QB 1 91 TYR QD . . 5.750 3.784 3.330 4.421 . 0 0 "[ . 1 . 2]" 1
164 1 15 VAL H 1 16 ASN H . . 5.750 4.432 4.296 4.612 . 0 0 "[ . 1 . 2]" 1
165 1 15 VAL H 1 16 ASN HA . . 5.960 5.494 5.443 5.584 . 0 0 "[ . 1 . 2]" 1
166 1 15 VAL H 1 16 ASN QB . . 5.810 5.186 5.018 5.410 . 0 0 "[ . 1 . 2]" 1
167 1 15 VAL H 1 65 VAL MG1 . . 5.930 4.892 4.741 4.970 . 0 0 "[ . 1 . 2]" 1
168 1 15 VAL H 1 65 VAL MG2 . . 5.930 5.466 5.211 5.665 . 0 0 "[ . 1 . 2]" 1
169 1 15 VAL H 1 65 VAL QG . . 5.790 4.564 4.399 4.649 . 0 0 "[ . 1 . 2]" 1
170 1 15 VAL H 1 91 TYR HB3 . . 5.860 5.592 5.330 5.896 0.036 11 0 "[ . 1 . 2]" 1
171 1 15 VAL HA 1 16 ASN H . . 4.850 2.157 2.093 2.201 . 0 0 "[ . 1 . 2]" 1
172 1 15 VAL HA 1 16 ASN HA . . 5.800 4.401 4.381 4.417 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL HA 1 16 ASN HB2 . . 5.930 5.611 4.300 5.830 . 0 0 "[ . 1 . 2]" 1
174 1 15 VAL HA 1 16 ASN HB3 . . 5.930 4.665 4.430 4.837 . 0 0 "[ . 1 . 2]" 1
175 1 15 VAL HA 1 16 ASN QB . . 5.770 4.431 3.906 4.613 . 0 0 "[ . 1 . 2]" 1
176 1 15 VAL HA 1 17 SER H . . 5.730 3.425 3.253 3.746 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL HA 1 18 VAL H . . 5.920 4.896 4.708 5.352 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL HA 1 65 VAL MG1 . . 5.780 3.791 3.412 4.351 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL HA 1 65 VAL MG2 . . 5.780 4.357 3.833 4.842 . 0 0 "[ . 1 . 2]" 1
180 1 15 VAL HA 1 65 VAL QG . . 5.430 3.567 3.190 4.055 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL HA 1 69 GLN HE21 . . 5.930 4.951 4.490 5.653 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL HA 1 69 GLN HG2 . . 5.930 5.563 5.022 5.962 0.032 6 0 "[ . 1 . 2]" 1
183 1 15 VAL HA 1 91 TYR HA . . 5.930 5.647 5.207 5.964 0.034 14 0 "[ . 1 . 2]" 1
184 1 15 VAL HA 1 91 TYR HB2 . . 5.750 4.748 4.206 5.172 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL HA 1 91 TYR HB3 . . 5.560 4.154 3.599 4.577 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL HA 1 91 TYR QD . . 5.350 3.244 2.895 3.432 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL HA 1 91 TYR QE . . 5.410 3.029 2.830 3.279 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL HB 1 16 ASN H . . 5.100 3.620 3.202 3.916 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL HB 1 16 ASN HA . . 5.740 4.614 4.440 4.882 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL HB 1 65 VAL HB . . 5.730 4.681 4.288 5.216 . 0 0 "[ . 1 . 2]" 1
191 1 15 VAL HB 1 65 VAL MG1 . . 5.430 2.106 1.981 2.273 . 0 0 "[ . 1 . 2]" 1
192 1 15 VAL HB 1 65 VAL MG2 . . 5.430 2.898 2.473 3.436 . 0 0 "[ . 1 . 2]" 1
193 1 15 VAL HB 1 65 VAL QG . . 5.120 2.052 1.938 2.238 . 0 0 "[ . 1 . 2]" 1
194 1 15 VAL HB 1 69 GLN HE21 . . 5.720 3.768 3.111 4.257 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL HB 1 69 GLN HE22 . . 5.880 4.999 4.526 5.220 . 0 0 "[ . 1 . 2]" 1
196 1 15 VAL HB 1 69 GLN HG3 . . 5.750 4.529 3.966 5.012 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL HB 1 91 TYR QE . . 5.540 3.897 3.153 4.478 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL MG1 1 65 VAL HA . . 5.920 4.946 4.541 5.554 . 0 0 "[ . 1 . 2]" 1
199 1 15 VAL MG1 1 65 VAL HB . . 5.850 5.059 4.642 5.660 . 0 0 "[ . 1 . 2]" 1
200 1 15 VAL MG1 1 69 GLN HE21 . . 5.490 1.889 1.816 2.048 . 0 0 "[ . 1 . 2]" 1
201 1 15 VAL MG2 1 65 VAL HA . . 5.920 5.212 4.391 5.857 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL MG2 1 65 VAL HB . . 5.610 4.648 4.025 5.215 . 0 0 "[ . 1 . 2]" 1
203 1 15 VAL MG2 1 69 GLN HE21 . . 5.490 3.630 2.709 4.060 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL QG 1 16 ASN H . . 5.530 3.647 3.543 3.726 . 0 0 "[ . 1 . 2]" 1
205 1 15 VAL QG 1 16 ASN HA . . 5.590 4.035 3.720 4.277 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL QG 1 17 SER H . . 5.770 3.943 3.678 4.146 . 0 0 "[ . 1 . 2]" 1
207 1 15 VAL QG 1 65 VAL HA . . 5.780 4.379 4.199 4.517 . 0 0 "[ . 1 . 2]" 1
208 1 15 VAL QG 1 65 VAL HB . . 5.690 4.189 3.936 4.438 . 0 0 "[ . 1 . 2]" 1
209 1 15 VAL QG 1 65 VAL QG . . 4.570 2.053 1.871 2.225 . 0 0 "[ . 1 . 2]" 1
210 1 15 VAL QG 1 66 GLN HA . . 5.910 5.499 5.372 5.644 . 0 0 "[ . 1 . 2]" 1
211 1 15 VAL QG 1 66 GLN QE . . 5.790 5.114 4.431 5.798 0.008 15 0 "[ . 1 . 2]" 1
212 1 15 VAL QG 1 69 GLN H . . 5.840 5.167 4.986 5.432 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL QG 1 69 GLN HB2 . . 5.880 5.213 5.088 5.392 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL QG 1 69 GLN HB3 . . 5.790 5.111 5.012 5.237 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL QG 1 69 GLN HE21 . . 5.120 1.881 1.797 2.034 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL QG 1 69 GLN HE22 . . 5.370 2.897 2.689 3.186 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL QG 1 69 GLN HG2 . . 5.430 3.210 3.099 3.353 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL QG 1 69 GLN HG3 . . 5.340 3.368 3.149 3.671 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL QG 1 91 TYR HB3 . . 5.700 4.956 4.559 5.320 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL QG 1 91 TYR QD . . 5.500 3.762 3.353 4.036 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL QG 1 91 TYR QE . . 5.110 2.977 2.642 3.180 . 0 0 "[ . 1 . 2]" 1
222 1 16 ASN H 1 16 ASN HD21 . . 6.000 4.806 4.631 4.945 . 0 0 "[ . 1 . 2]" 1
223 1 16 ASN H 1 16 ASN HD22 . . 6.000 4.764 4.456 6.021 0.021 19 0 "[ . 1 . 2]" 1
224 1 16 ASN H 1 16 ASN QD . . 5.650 4.242 4.043 4.692 . 0 0 "[ . 1 . 2]" 1
225 1 16 ASN H 1 17 SER H . . 5.750 2.105 2.075 2.159 . 0 0 "[ . 1 . 2]" 1
226 1 16 ASN H 1 17 SER HA . . 5.740 4.152 4.069 4.193 . 0 0 "[ . 1 . 2]" 1
227 1 16 ASN H 1 17 SER QB . . 5.880 4.940 4.657 4.998 . 0 0 "[ . 1 . 2]" 1
228 1 16 ASN H 1 18 VAL H . . 5.660 3.049 2.925 3.302 . 0 0 "[ . 1 . 2]" 1
229 1 16 ASN H 1 65 VAL HA . . 5.830 5.366 5.059 5.545 . 0 0 "[ . 1 . 2]" 1
230 1 16 ASN H 1 65 VAL MG1 . . 5.700 4.478 4.256 4.677 . 0 0 "[ . 1 . 2]" 1
231 1 16 ASN H 1 65 VAL MG2 . . 5.700 4.137 3.855 4.341 . 0 0 "[ . 1 . 2]" 1
232 1 16 ASN H 1 65 VAL QG . . 5.410 3.814 3.629 3.991 . 0 0 "[ . 1 . 2]" 1
233 1 16 ASN H 1 68 ALA MB . . 5.670 4.565 4.158 4.690 . 0 0 "[ . 1 . 2]" 1
234 1 16 ASN H 1 91 TYR HB3 . . 5.830 4.076 3.699 4.339 . 0 0 "[ . 1 . 2]" 1
235 1 16 ASN H 1 91 TYR QD . . 5.210 2.533 2.371 2.706 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASN H 1 91 TYR QE . . 5.170 2.704 2.406 2.931 . 0 0 "[ . 1 . 2]" 1
237 1 16 ASN H 1 92 ALA H . . 5.930 5.189 4.935 5.453 . 0 0 "[ . 1 . 2]" 1
238 1 16 ASN HA 1 17 SER H . . 5.230 3.158 3.141 3.257 . 0 0 "[ . 1 . 2]" 1
239 1 16 ASN HA 1 17 SER QB . . 5.720 4.264 3.977 4.377 . 0 0 "[ . 1 . 2]" 1
240 1 16 ASN HA 1 65 VAL HA . . 5.850 5.889 5.831 6.065 0.215 11 0 "[ . 1 . 2]" 1
241 1 16 ASN HA 1 65 VAL QG . . 5.190 3.620 3.418 4.049 . 0 0 "[ . 1 . 2]" 1
242 1 16 ASN HA 1 91 TYR QD . . 5.930 5.247 4.617 5.506 . 0 0 "[ . 1 . 2]" 1
243 1 16 ASN HA 1 91 TYR QE . . 5.850 5.128 4.901 5.263 . 0 0 "[ . 1 . 2]" 1
244 1 16 ASN HA 1 95 THR MG . . 6.000 4.278 3.540 5.933 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASN HB2 1 17 SER H . . 5.820 4.495 4.459 4.530 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASN HB3 1 17 SER H . . 5.820 4.483 3.804 4.603 . 0 0 "[ . 1 . 2]" 1
247 1 16 ASN HD21 1 18 VAL H . . 5.540 4.823 3.708 5.085 . 0 0 "[ . 1 . 2]" 1
248 1 16 ASN HD21 1 18 VAL HB . . 5.480 3.739 2.377 4.129 . 0 0 "[ . 1 . 2]" 1
249 1 16 ASN HD21 1 18 VAL MG1 . . 5.570 4.800 3.600 5.198 . 0 0 "[ . 1 . 2]" 1
250 1 16 ASN HD21 1 18 VAL MG2 . . 5.570 4.067 3.417 4.505 . 0 0 "[ . 1 . 2]" 1
251 1 16 ASN HD21 1 92 ALA H . . 5.690 5.155 3.141 5.573 . 0 0 "[ . 1 . 2]" 1
252 1 16 ASN HD21 1 92 ALA MB . . 5.540 4.322 2.458 4.746 . 0 0 "[ . 1 . 2]" 1
253 1 16 ASN HD21 1 94 PRO QD . . 5.930 4.997 4.394 5.369 . 0 0 "[ . 1 . 2]" 1
254 1 16 ASN HD21 1 95 THR HB . . 5.850 4.215 2.984 4.741 . 0 0 "[ . 1 . 2]" 1
255 1 16 ASN HD22 1 18 VAL H . . 5.540 4.249 3.752 4.803 . 0 0 "[ . 1 . 2]" 1
256 1 16 ASN HD22 1 18 VAL HA . . 5.920 5.704 4.986 5.943 0.023 19 0 "[ . 1 . 2]" 1
257 1 16 ASN HD22 1 18 VAL HB . . 5.480 2.786 2.000 3.136 . 0 0 "[ . 1 . 2]" 1
258 1 16 ASN HD22 1 18 VAL MG1 . . 5.570 3.923 3.319 4.270 . 0 0 "[ . 1 . 2]" 1
259 1 16 ASN HD22 1 18 VAL MG2 . . 5.570 3.804 3.169 4.298 . 0 0 "[ . 1 . 2]" 1
260 1 16 ASN HD22 1 92 ALA H . . 5.690 3.816 3.311 4.898 . 0 0 "[ . 1 . 2]" 1
261 1 16 ASN HD22 1 92 ALA MB . . 5.540 3.104 2.671 3.548 . 0 0 "[ . 1 . 2]" 1
262 1 16 ASN HD22 1 94 PRO QD . . 5.930 4.167 3.816 4.579 . 0 0 "[ . 1 . 2]" 1
263 1 16 ASN HD22 1 95 THR HB . . 5.850 5.153 2.435 5.865 0.015 12 0 "[ . 1 . 2]" 1
264 1 16 ASN QB 1 17 SER H . . 5.630 3.989 3.615 4.054 . 0 0 "[ . 1 . 2]" 1
265 1 16 ASN QB 1 18 VAL HB . . 5.880 4.097 3.311 4.278 . 0 0 "[ . 1 . 2]" 1
266 1 16 ASN QB 1 18 VAL QG . . 5.590 3.548 3.350 3.856 . 0 0 "[ . 1 . 2]" 1
267 1 16 ASN QB 1 65 VAL QG . . 5.700 4.756 4.589 4.963 . 0 0 "[ . 1 . 2]" 1
268 1 16 ASN QB 1 91 TYR QD . . 5.880 4.356 2.382 4.781 . 0 0 "[ . 1 . 2]" 1
269 1 16 ASN QB 1 95 THR MG . . 5.850 2.696 1.978 5.875 0.025 11 0 "[ . 1 . 2]" 1
270 1 16 ASN QD 1 17 SER H . . 5.910 5.322 5.157 5.368 . 0 0 "[ . 1 . 2]" 1
271 1 16 ASN QD 1 17 SER QB . . 6.000 5.904 5.238 6.130 0.130 15 0 "[ . 1 . 2]" 1
272 1 16 ASN QD 1 18 VAL H . . 5.330 3.943 3.581 4.136 . 0 0 "[ . 1 . 2]" 1
273 1 16 ASN QD 1 18 VAL HA . . 5.790 5.346 4.775 5.619 . 0 0 "[ . 1 . 2]" 1
274 1 16 ASN QD 1 18 VAL HB . . 5.230 2.674 1.983 3.044 . 0 0 "[ . 1 . 2]" 1
275 1 16 ASN QD 1 18 VAL QG . . 5.160 3.204 2.714 3.550 . 0 0 "[ . 1 . 2]" 1
276 1 16 ASN QD 1 19 LEU HA . . 5.900 5.781 5.260 5.912 0.012 14 0 "[ . 1 . 2]" 1
277 1 16 ASN QD 1 91 TYR HA . . 5.740 5.256 4.887 5.661 . 0 0 "[ . 1 . 2]" 1
278 1 16 ASN QD 1 91 TYR HB3 . . 5.640 4.358 3.846 4.995 . 0 0 "[ . 1 . 2]" 1
279 1 16 ASN QD 1 91 TYR QD . . 5.660 4.168 3.944 4.566 . 0 0 "[ . 1 . 2]" 1
280 1 16 ASN QD 1 92 ALA MB . . 5.260 2.964 2.398 3.239 . 0 0 "[ . 1 . 2]" 1
281 1 16 ASN QD 1 93 LYS HA . . 5.730 3.411 2.934 3.849 . 0 0 "[ . 1 . 2]" 1
282 1 16 ASN QD 1 94 PRO QD . . 5.770 3.961 3.680 4.253 . 0 0 "[ . 1 . 2]" 1
283 1 16 ASN QD 1 95 THR HA . . 5.540 3.401 2.629 3.849 . 0 0 "[ . 1 . 2]" 1
284 1 16 ASN QD 1 95 THR HB . . 5.700 3.924 2.419 4.547 . 0 0 "[ . 1 . 2]" 1
285 1 17 SER H 1 18 VAL H . . 5.010 2.759 2.713 2.866 . 0 0 "[ . 1 . 2]" 1
286 1 17 SER H 1 18 VAL HA . . 5.910 5.359 5.318 5.441 . 0 0 "[ . 1 . 2]" 1
287 1 17 SER H 1 18 VAL QG . . 5.830 4.386 4.321 4.592 . 0 0 "[ . 1 . 2]" 1
288 1 17 SER H 1 65 VAL H . . 5.760 5.769 5.596 5.856 0.096 7 0 "[ . 1 . 2]" 1
289 1 17 SER H 1 65 VAL HA . . 5.540 3.508 3.301 3.593 . 0 0 "[ . 1 . 2]" 1
290 1 17 SER H 1 65 VAL HB . . 5.750 5.663 5.502 5.771 0.021 7 0 "[ . 1 . 2]" 1
291 1 17 SER H 1 65 VAL MG1 . . 5.640 3.643 3.381 3.739 . 0 0 "[ . 1 . 2]" 1
292 1 17 SER H 1 65 VAL MG2 . . 5.640 2.837 2.634 3.040 . 0 0 "[ . 1 . 2]" 1
293 1 17 SER H 1 65 VAL QG . . 5.140 2.741 2.579 2.875 . 0 0 "[ . 1 . 2]" 1
294 1 17 SER H 1 68 ALA MB . . 5.490 3.422 3.158 3.581 . 0 0 "[ . 1 . 2]" 1
295 1 17 SER H 1 91 TYR QD . . 5.680 3.661 3.447 3.869 . 0 0 "[ . 1 . 2]" 1
296 1 17 SER H 1 91 TYR QE . . 5.770 2.356 2.216 2.529 . 0 0 "[ . 1 . 2]" 1
297 1 17 SER HA 1 18 VAL H . . 5.430 3.072 3.001 3.151 . 0 0 "[ . 1 . 2]" 1
298 1 17 SER HA 1 18 VAL HA . . 5.850 4.422 4.383 4.490 . 0 0 "[ . 1 . 2]" 1
299 1 17 SER HA 1 18 VAL QG . . 5.690 4.223 4.180 4.258 . 0 0 "[ . 1 . 2]" 1
300 1 17 SER HA 1 19 LEU QD . . 5.790 4.015 3.485 4.604 . 0 0 "[ . 1 . 2]" 1
301 1 17 SER HA 1 62 PHE H . . 5.700 4.124 4.014 4.462 . 0 0 "[ . 1 . 2]" 1
302 1 17 SER HA 1 62 PHE HB2 . . 5.790 3.535 3.430 3.879 . 0 0 "[ . 1 . 2]" 1
303 1 17 SER HA 1 62 PHE QD . . 5.920 4.454 4.316 4.706 . 0 0 "[ . 1 . 2]" 1
304 1 17 SER HA 1 64 SER HA . . 5.780 5.674 5.456 5.815 0.035 15 0 "[ . 1 . 2]" 1
305 1 17 SER HA 1 65 VAL H . . 5.720 5.141 4.931 5.268 . 0 0 "[ . 1 . 2]" 1
306 1 17 SER HA 1 65 VAL HA . . 5.170 2.845 2.621 2.970 . 0 0 "[ . 1 . 2]" 1
307 1 17 SER HA 1 65 VAL HB . . 5.870 5.743 5.481 5.868 . 0 0 "[ . 1 . 2]" 1
308 1 17 SER HA 1 65 VAL MG1 . . 5.770 4.232 3.901 4.309 . 0 0 "[ . 1 . 2]" 1
309 1 17 SER HA 1 65 VAL MG2 . . 5.770 3.542 3.272 3.664 . 0 0 "[ . 1 . 2]" 1
310 1 17 SER HA 1 65 VAL QG . . 5.430 3.372 3.113 3.457 . 0 0 "[ . 1 . 2]" 1
311 1 17 SER HA 1 68 ALA H . . 5.460 4.228 4.059 4.365 . 0 0 "[ . 1 . 2]" 1
312 1 17 SER HA 1 68 ALA HA . . 5.800 4.790 4.566 5.081 . 0 0 "[ . 1 . 2]" 1
313 1 17 SER HA 1 68 ALA MB . . 5.030 2.186 2.042 2.398 . 0 0 "[ . 1 . 2]" 1
314 1 17 SER HA 1 69 GLN H . . 5.870 5.517 5.294 5.661 . 0 0 "[ . 1 . 2]" 1
315 1 17 SER HB2 1 18 VAL H . . 5.810 4.157 3.974 4.617 . 0 0 "[ . 1 . 2]" 1
316 1 17 SER HB2 1 64 SER HA . . 5.540 5.046 3.842 5.507 . 0 0 "[ . 1 . 2]" 1
317 1 17 SER HB2 1 65 VAL H . . 5.700 5.303 3.402 5.578 . 0 0 "[ . 1 . 2]" 1
318 1 17 SER HB3 1 18 VAL H . . 5.810 4.489 4.122 4.609 . 0 0 "[ . 1 . 2]" 1
319 1 17 SER HB3 1 64 SER HA . . 5.540 4.416 3.937 4.890 . 0 0 "[ . 1 . 2]" 1
320 1 17 SER HB3 1 65 VAL H . . 5.700 4.860 3.392 5.089 . 0 0 "[ . 1 . 2]" 1
321 1 17 SER QB 1 18 VAL H . . 5.670 3.824 3.708 4.096 . 0 0 "[ . 1 . 2]" 1
322 1 17 SER QB 1 18 VAL HA . . 5.900 4.472 4.407 4.833 . 0 0 "[ . 1 . 2]" 1
323 1 17 SER QB 1 18 VAL HB . . 5.980 5.291 4.824 5.957 . 0 0 "[ . 1 . 2]" 1
324 1 17 SER QB 1 18 VAL QG . . 5.570 3.247 2.956 4.027 . 0 0 "[ . 1 . 2]" 1
325 1 17 SER QB 1 61 GLU HA . . 5.880 4.491 4.287 5.197 . 0 0 "[ . 1 . 2]" 1
326 1 17 SER QB 1 61 GLU HG3 . . 5.900 3.689 3.382 4.677 . 0 0 "[ . 1 . 2]" 1
327 1 17 SER QB 1 62 PHE H . . 5.500 2.988 2.743 3.991 . 0 0 "[ . 1 . 2]" 1
328 1 17 SER QB 1 62 PHE HA . . 5.780 4.732 4.506 5.865 0.085 10 0 "[ . 1 . 2]" 1
329 1 17 SER QB 1 62 PHE HB2 . . 5.530 3.029 2.798 4.118 . 0 0 "[ . 1 . 2]" 1
330 1 17 SER QB 1 62 PHE HB3 . . 5.610 4.019 3.787 5.035 . 0 0 "[ . 1 . 2]" 1
331 1 17 SER QB 1 64 SER H . . 5.120 3.735 3.514 4.481 . 0 0 "[ . 1 . 2]" 1
332 1 17 SER QB 1 64 SER HA . . 5.340 4.127 3.463 4.382 . 0 0 "[ . 1 . 2]" 1
333 1 17 SER QB 1 64 SER QB . . 5.820 5.270 4.615 5.490 . 0 0 "[ . 1 . 2]" 1
334 1 17 SER QB 1 65 VAL H . . 5.480 4.465 3.232 4.713 . 0 0 "[ . 1 . 2]" 1
335 1 17 SER QB 1 65 VAL HA . . 5.460 3.632 2.342 3.850 . 0 0 "[ . 1 . 2]" 1
336 1 17 SER QB 1 65 VAL HB . . 5.860 5.651 4.149 5.876 0.016 15 0 "[ . 1 . 2]" 1
337 1 17 SER QB 1 65 VAL QG . . 5.440 3.380 2.088 3.594 . 0 0 "[ . 1 . 2]" 1
338 1 17 SER QB 1 68 ALA H . . 5.750 4.940 4.131 5.167 . 0 0 "[ . 1 . 2]" 1
339 1 17 SER QB 1 68 ALA MB . . 5.520 3.408 2.977 3.640 . 0 0 "[ . 1 . 2]" 1
340 1 18 VAL H 1 19 LEU H . . 5.690 4.409 4.310 4.466 . 0 0 "[ . 1 . 2]" 1
341 1 18 VAL H 1 19 LEU QD . . 5.210 3.600 3.033 4.104 . 0 0 "[ . 1 . 2]" 1
342 1 18 VAL H 1 61 GLU HA . . 5.890 5.020 4.946 5.146 . 0 0 "[ . 1 . 2]" 1
343 1 18 VAL H 1 62 PHE QD . . 5.820 5.561 5.323 5.739 . 0 0 "[ . 1 . 2]" 1
344 1 18 VAL H 1 65 VAL HA . . 5.840 5.647 5.493 5.758 . 0 0 "[ . 1 . 2]" 1
345 1 18 VAL H 1 65 VAL MG1 . . 5.930 5.889 5.634 5.988 0.058 11 0 "[ . 1 . 2]" 1
346 1 18 VAL H 1 65 VAL MG2 . . 5.930 5.222 4.943 5.442 . 0 0 "[ . 1 . 2]" 1
347 1 18 VAL H 1 65 VAL QG . . 5.740 4.888 4.643 5.044 . 0 0 "[ . 1 . 2]" 1
348 1 18 VAL H 1 68 ALA MB . . 5.580 3.802 3.521 3.909 . 0 0 "[ . 1 . 2]" 1
349 1 18 VAL H 1 91 TYR HA . . 5.760 4.894 4.642 5.065 . 0 0 "[ . 1 . 2]" 1
350 1 18 VAL H 1 91 TYR QD . . 5.480 2.826 2.649 3.069 . 0 0 "[ . 1 . 2]" 1
351 1 18 VAL H 1 91 TYR QE . . 5.200 3.037 2.929 3.127 . 0 0 "[ . 1 . 2]" 1
352 1 18 VAL H 1 92 ALA MB . . 5.860 4.465 4.245 4.732 . 0 0 "[ . 1 . 2]" 1
353 1 18 VAL HA 1 19 LEU H . . 5.030 2.217 2.161 2.276 . 0 0 "[ . 1 . 2]" 1
354 1 18 VAL HA 1 19 LEU HA . . 5.770 4.445 4.425 4.467 . 0 0 "[ . 1 . 2]" 1
355 1 18 VAL HA 1 19 LEU HB2 . . 5.910 4.444 4.081 4.597 . 0 0 "[ . 1 . 2]" 1
356 1 18 VAL HA 1 19 LEU QD . . 5.700 3.458 2.634 4.217 . 0 0 "[ . 1 . 2]" 1
357 1 18 VAL HA 1 60 VAL H . . 5.720 4.641 4.480 4.889 . 0 0 "[ . 1 . 2]" 1
358 1 18 VAL HA 1 60 VAL HB . . 5.930 5.067 4.872 5.299 . 0 0 "[ . 1 . 2]" 1
359 1 18 VAL HA 1 60 VAL QG . . 5.770 4.697 4.557 4.813 . 0 0 "[ . 1 . 2]" 1
360 1 18 VAL HA 1 61 GLU H . . 5.920 4.997 4.945 5.132 . 0 0 "[ . 1 . 2]" 1
361 1 18 VAL HA 1 61 GLU HA . . 5.320 2.433 2.346 2.479 . 0 0 "[ . 1 . 2]" 1
362 1 18 VAL HA 1 61 GLU QB . . 5.850 3.701 3.547 3.922 . 0 0 "[ . 1 . 2]" 1
363 1 18 VAL HA 1 62 PHE H . . 5.360 3.519 3.430 3.596 . 0 0 "[ . 1 . 2]" 1
364 1 18 VAL HA 1 62 PHE QD . . 5.660 4.136 3.876 4.267 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL HA 1 68 ALA MB . . 5.660 4.278 4.082 4.387 . 0 0 "[ . 1 . 2]" 1
366 1 18 VAL HA 1 92 ALA H . . 5.850 5.040 4.955 5.267 . 0 0 "[ . 1 . 2]" 1
367 1 18 VAL HA 1 92 ALA MB . . 5.790 4.294 4.201 4.542 . 0 0 "[ . 1 . 2]" 1
368 1 18 VAL HB 1 19 LEU H . . 5.660 4.032 3.932 4.142 . 0 0 "[ . 1 . 2]" 1
369 1 18 VAL HB 1 62 PHE H . . 6.000 6.027 5.774 6.109 0.109 16 0 "[ . 1 . 2]" 1
370 1 18 VAL HB 1 92 ALA H . . 5.790 3.700 3.523 3.838 . 0 0 "[ . 1 . 2]" 1
371 1 18 VAL HB 1 92 ALA MB . . 5.510 2.614 2.484 2.993 . 0 0 "[ . 1 . 2]" 1
372 1 18 VAL HB 1 94 PRO QD . . 5.930 4.965 4.606 5.504 . 0 0 "[ . 1 . 2]" 1
373 1 18 VAL HB 1 95 THR HA . . 5.710 3.697 3.299 4.022 . 0 0 "[ . 1 . 2]" 1
374 1 18 VAL MG1 1 61 GLU HA . . 5.700 3.225 3.115 3.405 . 0 0 "[ . 1 . 2]" 1
375 1 18 VAL MG1 1 92 ALA H . . 5.770 3.677 3.514 3.770 . 0 0 "[ . 1 . 2]" 1
376 1 18 VAL MG2 1 61 GLU HA . . 5.700 2.814 2.330 3.048 . 0 0 "[ . 1 . 2]" 1
377 1 18 VAL MG2 1 61 GLU HG3 . . 4.330 2.218 2.095 2.354 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL MG2 1 92 ALA H . . 5.770 5.123 5.003 5.250 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL QG 1 19 LEU H . . 5.080 2.381 2.254 2.501 . 0 0 "[ . 1 . 2]" 1
380 1 18 VAL QG 1 20 LEU H . . 5.830 4.702 4.577 4.874 . 0 0 "[ . 1 . 2]" 1
381 1 18 VAL QG 1 59 MET HA . . 5.820 4.546 4.422 4.713 . 0 0 "[ . 1 . 2]" 1
382 1 18 VAL QG 1 59 MET HG2 . . 5.880 5.567 5.404 5.839 . 0 0 "[ . 1 . 2]" 1
383 1 18 VAL QG 1 59 MET QB . . 5.620 3.330 3.159 3.555 . 0 0 "[ . 1 . 2]" 1
384 1 18 VAL QG 1 60 VAL H . . 5.610 3.382 3.245 3.529 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL QG 1 60 VAL HA . . 5.920 4.572 4.422 4.767 . 0 0 "[ . 1 . 2]" 1
386 1 18 VAL QG 1 61 GLU HA . . 5.240 2.641 2.275 2.780 . 0 0 "[ . 1 . 2]" 1
387 1 18 VAL QG 1 61 GLU QB . . 5.390 2.367 2.249 2.706 . 0 0 "[ . 1 . 2]" 1
388 1 18 VAL QG 1 62 PHE H . . 5.540 3.543 3.255 3.663 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL QG 1 91 TYR HA . . 5.770 4.920 4.758 5.003 . 0 0 "[ . 1 . 2]" 1
390 1 18 VAL QG 1 92 ALA H . . 5.330 3.599 3.448 3.681 . 0 0 "[ . 1 . 2]" 1
391 1 18 VAL QG 1 92 ALA MB . . 4.900 2.055 1.994 2.106 . 0 0 "[ . 1 . 2]" 1
392 1 18 VAL QG 1 94 PRO QD . . 5.730 3.890 3.637 4.279 . 0 0 "[ . 1 . 2]" 1
393 1 18 VAL QG 1 94 PRO HG2 . . 5.540 3.210 2.941 3.579 . 0 0 "[ . 1 . 2]" 1
394 1 18 VAL QG 1 94 PRO HG3 . . 5.820 4.569 4.246 4.962 . 0 0 "[ . 1 . 2]" 1
395 1 18 VAL QG 1 95 THR H . . 5.710 4.385 4.161 4.670 . 0 0 "[ . 1 . 2]" 1
396 1 18 VAL QG 1 95 THR HA . . 5.190 2.219 2.059 2.564 . 0 0 "[ . 1 . 2]" 1
397 1 18 VAL QG 1 95 THR HB . . 5.520 4.041 3.270 4.434 . 0 0 "[ . 1 . 2]" 1
398 1 18 VAL QG 1 95 THR MG . . 5.700 3.016 2.111 4.438 . 0 0 "[ . 1 . 2]" 1
399 1 18 VAL QG 1 96 ARG H . . 5.920 4.138 3.875 4.369 . 0 0 "[ . 1 . 2]" 1
400 1 19 LEU H 1 19 LEU MD1 . . 5.640 3.825 2.975 4.094 . 0 0 "[ . 1 . 2]" 1
401 1 19 LEU H 1 19 LEU MD2 . . 5.640 3.292 2.419 4.050 . 0 0 "[ . 1 . 2]" 1
402 1 19 LEU H 1 20 LEU H . . 5.770 4.467 4.410 4.504 . 0 0 "[ . 1 . 2]" 1
403 1 19 LEU H 1 59 MET HA . . 5.790 4.799 4.672 4.986 . 0 0 "[ . 1 . 2]" 1
404 1 19 LEU H 1 59 MET QB . . 5.890 4.577 4.393 4.736 . 0 0 "[ . 1 . 2]" 1
405 1 19 LEU H 1 60 VAL H . . 5.340 2.960 2.881 3.120 . 0 0 "[ . 1 . 2]" 1
406 1 19 LEU H 1 60 VAL HA . . 5.870 4.916 4.819 5.035 . 0 0 "[ . 1 . 2]" 1
407 1 19 LEU H 1 60 VAL HB . . 5.740 3.696 3.582 3.856 . 0 0 "[ . 1 . 2]" 1
408 1 19 LEU H 1 60 VAL MG1 . . 5.930 4.491 4.408 4.622 . 0 0 "[ . 1 . 2]" 1
409 1 19 LEU H 1 60 VAL MG2 . . 5.930 4.815 4.717 4.977 . 0 0 "[ . 1 . 2]" 1
410 1 19 LEU H 1 60 VAL QG . . 5.770 4.127 4.055 4.242 . 0 0 "[ . 1 . 2]" 1
411 1 19 LEU H 1 61 GLU HA . . 5.690 3.677 3.529 3.885 . 0 0 "[ . 1 . 2]" 1
412 1 19 LEU H 1 62 PHE QD . . 5.720 4.612 4.370 4.940 . 0 0 "[ . 1 . 2]" 1
413 1 19 LEU H 1 68 ALA MB . . 5.700 4.918 4.752 5.023 . 0 0 "[ . 1 . 2]" 1
414 1 19 LEU H 1 89 ILE MG . . 5.800 5.320 5.112 5.472 . 0 0 "[ . 1 . 2]" 1
415 1 19 LEU H 1 92 ALA H . . 5.790 4.521 4.368 4.712 . 0 0 "[ . 1 . 2]" 1
416 1 19 LEU H 1 92 ALA MB . . 5.750 3.709 3.553 3.862 . 0 0 "[ . 1 . 2]" 1
417 1 19 LEU HA 1 20 LEU H . . 5.030 2.246 2.212 2.296 . 0 0 "[ . 1 . 2]" 1
418 1 19 LEU HA 1 20 LEU HB2 . . 5.780 4.643 4.372 4.755 . 0 0 "[ . 1 . 2]" 1
419 1 19 LEU HA 1 20 LEU HB3 . . 5.890 4.490 4.419 4.599 . 0 0 "[ . 1 . 2]" 1
420 1 19 LEU HA 1 21 PHE QE . . 5.930 4.955 4.767 5.052 . 0 0 "[ . 1 . 2]" 1
421 1 19 LEU HA 1 60 VAL H . . 5.870 4.998 4.859 5.124 . 0 0 "[ . 1 . 2]" 1
422 1 19 LEU HA 1 68 ALA MB . . 5.930 5.123 4.953 5.280 . 0 0 "[ . 1 . 2]" 1
423 1 19 LEU HA 1 89 ILE MG . . 5.670 3.943 3.861 4.035 . 0 0 "[ . 1 . 2]" 1
424 1 19 LEU HA 1 91 TYR H . . 5.670 4.855 4.748 4.942 . 0 0 "[ . 1 . 2]" 1
425 1 19 LEU HA 1 91 TYR HA . . 5.360 2.528 2.402 2.637 . 0 0 "[ . 1 . 2]" 1
426 1 19 LEU HA 1 91 TYR HB2 . . 5.890 5.497 5.379 5.606 . 0 0 "[ . 1 . 2]" 1
427 1 19 LEU HA 1 91 TYR HB3 . . 5.830 4.869 4.740 4.991 . 0 0 "[ . 1 . 2]" 1
428 1 19 LEU HA 1 91 TYR QD . . 5.660 4.110 3.929 4.213 . 0 0 "[ . 1 . 2]" 1
429 1 19 LEU HA 1 92 ALA H . . 5.290 2.717 2.596 2.921 . 0 0 "[ . 1 . 2]" 1
430 1 19 LEU HA 1 92 ALA MB . . 5.520 3.098 2.965 3.229 . 0 0 "[ . 1 . 2]" 1
431 1 19 LEU HB2 1 20 LEU H . . 5.580 3.882 3.735 4.180 . 0 0 "[ . 1 . 2]" 1
432 1 19 LEU HB2 1 20 LEU HA . . 5.930 4.769 4.660 5.117 . 0 0 "[ . 1 . 2]" 1
433 1 19 LEU HB2 1 21 PHE QD . . 5.520 3.330 3.093 3.706 . 0 0 "[ . 1 . 2]" 1
434 1 19 LEU HB2 1 21 PHE QE . . 5.490 2.167 2.072 2.305 . 0 0 "[ . 1 . 2]" 1
435 1 19 LEU HB2 1 60 VAL H . . 5.640 3.629 3.513 3.773 . 0 0 "[ . 1 . 2]" 1
436 1 19 LEU HB2 1 60 VAL HB . . 5.810 2.843 2.643 3.169 . 0 0 "[ . 1 . 2]" 1
437 1 19 LEU HB2 1 60 VAL MG1 . . 5.850 4.190 3.998 4.533 . 0 0 "[ . 1 . 2]" 1
438 1 19 LEU HB2 1 60 VAL MG2 . . 5.850 3.980 3.806 4.222 . 0 0 "[ . 1 . 2]" 1
439 1 19 LEU HB2 1 60 VAL QG . . 5.650 3.628 3.489 3.808 . 0 0 "[ . 1 . 2]" 1
440 1 19 LEU HB2 1 68 ALA MB . . 5.900 4.854 4.581 5.107 . 0 0 "[ . 1 . 2]" 1
441 1 19 LEU HB2 1 89 ILE MG . . 5.570 3.370 3.018 3.738 . 0 0 "[ . 1 . 2]" 1
442 1 19 LEU HB2 1 90 GLU H . . 5.850 5.325 4.884 5.714 . 0 0 "[ . 1 . 2]" 1
443 1 19 LEU HB2 1 91 TYR HA . . 5.880 5.301 5.190 5.404 . 0 0 "[ . 1 . 2]" 1
444 1 19 LEU HB3 1 20 LEU H . . 5.290 2.764 2.565 2.970 . 0 0 "[ . 1 . 2]" 1
445 1 19 LEU HB3 1 20 LEU HA . . 5.900 4.506 4.275 4.628 . 0 0 "[ . 1 . 2]" 1
446 1 19 LEU HB3 1 21 PHE HA . . 5.930 5.238 5.032 5.382 . 0 0 "[ . 1 . 2]" 1
447 1 19 LEU HB3 1 21 PHE QD . . 5.640 3.518 2.972 3.711 . 0 0 "[ . 1 . 2]" 1
448 1 19 LEU HB3 1 21 PHE QE . . 5.540 2.924 2.313 3.303 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU HB3 1 60 VAL QG . . 5.920 4.643 4.165 4.960 . 0 0 "[ . 1 . 2]" 1
450 1 19 LEU HB3 1 68 ALA MB . . 5.840 5.268 4.995 5.538 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU HB3 1 89 ILE HA . . 5.870 4.491 4.196 4.721 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU HB3 1 89 ILE HB . . 5.730 5.066 4.860 5.427 . 0 0 "[ . 1 . 2]" 1
453 1 19 LEU HB3 1 89 ILE MG . . 5.210 2.243 2.090 2.428 . 0 0 "[ . 1 . 2]" 1
454 1 19 LEU HB3 1 90 GLU H . . 5.670 3.629 3.212 4.042 . 0 0 "[ . 1 . 2]" 1
455 1 19 LEU HG 1 20 LEU H . . 5.860 4.875 3.692 5.020 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU HG 1 21 PHE QE . . 5.710 3.925 3.262 4.455 . 0 0 "[ . 1 . 2]" 1
457 1 19 LEU HG 1 62 PHE QD . . 5.790 4.123 3.367 5.787 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU HG 1 62 PHE QE . . 5.700 4.040 3.717 5.347 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU HG 1 68 ALA HA . . 5.640 4.112 3.832 5.361 . 0 0 "[ . 1 . 2]" 1
460 1 19 LEU HG 1 68 ALA MB . . 5.320 3.291 2.523 4.354 . 0 0 "[ . 1 . 2]" 1
461 1 19 LEU HG 1 71 ALA MB . . 5.850 4.106 3.421 4.744 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU HG 1 72 LYS HA . . 6.000 4.997 3.733 6.083 0.083 2 0 "[ . 1 . 2]" 1
463 1 19 LEU HG 1 89 ILE MG . . 5.720 3.511 2.479 4.431 . 0 0 "[ . 1 . 2]" 1
464 1 19 LEU MD1 1 20 LEU H . . 5.840 4.146 3.481 4.815 . 0 0 "[ . 1 . 2]" 1
465 1 19 LEU MD1 1 68 ALA H . . 5.840 5.195 4.797 5.756 . 0 0 "[ . 1 . 2]" 1
466 1 19 LEU MD1 1 68 ALA HA . . 5.550 3.150 2.381 4.018 . 0 0 "[ . 1 . 2]" 1
467 1 19 LEU MD1 1 68 ALA MB . . 5.220 2.565 1.946 2.825 . 0 0 "[ . 1 . 2]" 1
468 1 19 LEU MD1 1 69 GLN H . . 5.910 4.978 4.782 5.249 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU MD1 1 69 GLN HA . . 5.890 4.415 4.138 4.657 . 0 0 "[ . 1 . 2]" 1
470 1 19 LEU MD1 1 72 LYS H . . 5.740 3.482 2.873 4.183 . 0 0 "[ . 1 . 2]" 1
471 1 19 LEU MD1 1 72 LYS HA . . 5.850 3.658 3.033 4.905 . 0 0 "[ . 1 . 2]" 1
472 1 19 LEU MD1 1 72 LYS HB2 . . 5.490 2.292 2.137 3.055 . 0 0 "[ . 1 . 2]" 1
473 1 19 LEU MD1 1 72 LYS HB3 . . 5.720 3.398 3.164 4.101 . 0 0 "[ . 1 . 2]" 1
474 1 19 LEU MD1 1 89 ILE MG . . 5.370 2.523 2.218 3.735 . 0 0 "[ . 1 . 2]" 1
475 1 19 LEU MD1 1 91 TYR QE . . 5.760 3.659 2.767 4.510 . 0 0 "[ . 1 . 2]" 1
476 1 19 LEU MD2 1 20 LEU H . . 5.840 4.143 3.377 4.874 . 0 0 "[ . 1 . 2]" 1
477 1 19 LEU MD2 1 68 ALA H . . 5.840 5.099 4.413 5.773 . 0 0 "[ . 1 . 2]" 1
478 1 19 LEU MD2 1 68 ALA HA . . 5.550 3.188 2.208 4.138 . 0 0 "[ . 1 . 2]" 1
479 1 19 LEU MD2 1 68 ALA MB . . 5.220 2.356 1.985 3.154 . 0 0 "[ . 1 . 2]" 1
480 1 19 LEU MD2 1 69 GLN H . . 5.910 5.055 4.829 5.307 . 0 0 "[ . 1 . 2]" 1
481 1 19 LEU MD2 1 69 GLN HA . . 5.890 4.676 4.255 5.182 . 0 0 "[ . 1 . 2]" 1
482 1 19 LEU MD2 1 72 LYS H . . 5.740 4.028 2.741 4.342 . 0 0 "[ . 1 . 2]" 1
483 1 19 LEU MD2 1 72 LYS HA . . 5.850 4.392 3.006 5.202 . 0 0 "[ . 1 . 2]" 1
484 1 19 LEU MD2 1 72 LYS HB2 . . 5.490 2.838 2.108 3.745 . 0 0 "[ . 1 . 2]" 1
485 1 19 LEU MD2 1 72 LYS HB3 . . 5.720 3.884 3.222 4.689 . 0 0 "[ . 1 . 2]" 1
486 1 19 LEU MD2 1 89 ILE MG . . 5.370 3.071 2.065 3.943 . 0 0 "[ . 1 . 2]" 1
487 1 19 LEU MD2 1 91 TYR QE . . 5.760 3.307 2.937 4.549 . 0 0 "[ . 1 . 2]" 1
488 1 19 LEU QD 1 20 LEU H . . 5.540 3.437 3.290 3.909 . 0 0 "[ . 1 . 2]" 1
489 1 19 LEU QD 1 21 PHE QD . . 5.780 4.322 4.036 4.582 . 0 0 "[ . 1 . 2]" 1
490 1 19 LEU QD 1 21 PHE QE . . 5.290 2.891 2.480 3.345 . 0 0 "[ . 1 . 2]" 1
491 1 19 LEU QD 1 60 VAL HB . . 5.920 3.316 2.985 3.668 . 0 0 "[ . 1 . 2]" 1
492 1 19 LEU QD 1 62 PHE H . . 5.840 4.608 3.888 5.274 . 0 0 "[ . 1 . 2]" 1
493 1 19 LEU QD 1 62 PHE HZ . . 5.770 4.280 3.926 4.590 . 0 0 "[ . 1 . 2]" 1
494 1 19 LEU QD 1 62 PHE QD . . 5.770 2.697 2.152 3.172 . 0 0 "[ . 1 . 2]" 1
495 1 19 LEU QD 1 62 PHE QE . . 5.080 2.320 2.158 2.552 . 0 0 "[ . 1 . 2]" 1
496 1 19 LEU QD 1 68 ALA H . . 5.680 4.445 4.274 4.632 . 0 0 "[ . 1 . 2]" 1
497 1 19 LEU QD 1 68 ALA HA . . 5.280 2.367 2.197 2.711 . 0 0 "[ . 1 . 2]" 1
498 1 19 LEU QD 1 68 ALA MB . . 4.920 2.108 1.929 2.342 . 0 0 "[ . 1 . 2]" 1
499 1 19 LEU QD 1 69 GLN H . . 5.710 4.452 4.411 4.508 . 0 0 "[ . 1 . 2]" 1
500 1 19 LEU QD 1 69 GLN HA . . 5.580 3.989 3.917 4.051 . 0 0 "[ . 1 . 2]" 1
501 1 19 LEU QD 1 71 ALA H . . 5.820 4.225 3.884 4.645 . 0 0 "[ . 1 . 2]" 1
502 1 19 LEU QD 1 72 LYS H . . 5.520 3.213 2.707 3.734 . 0 0 "[ . 1 . 2]" 1
503 1 19 LEU QD 1 72 LYS HA . . 5.620 3.426 2.939 4.104 . 0 0 "[ . 1 . 2]" 1
504 1 19 LEU QD 1 72 LYS HD2 . . 5.710 4.641 4.443 5.077 . 0 0 "[ . 1 . 2]" 1
505 1 19 LEU QD 1 72 LYS QE . . 5.640 3.268 3.136 4.037 . 0 0 "[ . 1 . 2]" 1
506 1 19 LEU QD 1 73 ALA H . . 5.860 4.940 4.618 5.358 . 0 0 "[ . 1 . 2]" 1
507 1 19 LEU QD 1 89 ILE HG12 . . 5.920 4.999 4.424 5.582 . 0 0 "[ . 1 . 2]" 1
508 1 19 LEU QD 1 89 ILE MD . . 5.730 3.848 3.111 4.581 . 0 0 "[ . 1 . 2]" 1
509 1 19 LEU QD 1 89 ILE MG . . 5.120 2.329 2.044 2.737 . 0 0 "[ . 1 . 2]" 1
510 1 19 LEU QD 1 90 GLU H . . 5.710 3.714 3.550 4.380 . 0 0 "[ . 1 . 2]" 1
511 1 19 LEU QD 1 90 GLU HA . . 5.720 3.610 3.386 4.564 . 0 0 "[ . 1 . 2]" 1
512 1 19 LEU QD 1 90 GLU HB2 . . 5.920 5.100 4.917 5.929 0.009 15 0 "[ . 1 . 2]" 1
513 1 19 LEU QD 1 91 TYR H . . 5.410 3.587 3.425 4.406 . 0 0 "[ . 1 . 2]" 1
514 1 19 LEU QD 1 91 TYR HA . . 5.110 2.201 2.032 2.731 . 0 0 "[ . 1 . 2]" 1
515 1 19 LEU QD 1 91 TYR HB3 . . 5.600 3.955 3.861 4.232 . 0 0 "[ . 1 . 2]" 1
516 1 19 LEU QD 1 91 TYR QD . . 5.070 2.782 2.503 2.939 . 0 0 "[ . 1 . 2]" 1
517 1 19 LEU QD 1 91 TYR QE . . 5.230 2.887 2.699 3.069 . 0 0 "[ . 1 . 2]" 1
518 1 19 LEU QD 1 92 ALA H . . 5.530 3.333 3.204 3.569 . 0 0 "[ . 1 . 2]" 1
519 1 20 LEU H 1 20 LEU MD1 . . 5.760 4.385 4.307 4.526 . 0 0 "[ . 1 . 2]" 1
520 1 20 LEU H 1 20 LEU MD2 . . 5.760 4.261 4.031 4.337 . 0 0 "[ . 1 . 2]" 1
521 1 20 LEU H 1 21 PHE H . . 5.640 4.472 4.416 4.520 . 0 0 "[ . 1 . 2]" 1
522 1 20 LEU H 1 21 PHE QD . . 5.720 4.276 4.021 4.447 . 0 0 "[ . 1 . 2]" 1
523 1 20 LEU H 1 59 MET HA . . 5.880 5.191 5.023 5.284 . 0 0 "[ . 1 . 2]" 1
524 1 20 LEU H 1 60 VAL H . . 5.930 5.267 5.044 5.427 . 0 0 "[ . 1 . 2]" 1
525 1 20 LEU H 1 89 ILE MG . . 5.490 3.427 3.167 3.576 . 0 0 "[ . 1 . 2]" 1
526 1 20 LEU H 1 90 GLU H . . 5.390 2.840 2.711 2.907 . 0 0 "[ . 1 . 2]" 1
527 1 20 LEU H 1 90 GLU HA . . 5.780 4.839 4.758 4.896 . 0 0 "[ . 1 . 2]" 1
528 1 20 LEU H 1 90 GLU HB2 . . 5.790 5.467 5.372 5.554 . 0 0 "[ . 1 . 2]" 1
529 1 20 LEU H 1 90 GLU HB3 . . 5.850 5.706 5.627 5.823 . 0 0 "[ . 1 . 2]" 1
530 1 20 LEU H 1 90 GLU HG2 . . 5.860 4.144 3.721 4.360 . 0 0 "[ . 1 . 2]" 1
531 1 20 LEU H 1 90 GLU HG3 . . 5.860 3.982 3.742 5.481 . 0 0 "[ . 1 . 2]" 1
532 1 20 LEU H 1 90 GLU QG . . 5.700 3.584 3.447 3.723 . 0 0 "[ . 1 . 2]" 1
533 1 20 LEU H 1 91 TYR H . . 5.770 5.013 4.943 5.068 . 0 0 "[ . 1 . 2]" 1
534 1 20 LEU H 1 91 TYR HA . . 5.530 3.690 3.551 3.798 . 0 0 "[ . 1 . 2]" 1
535 1 20 LEU H 1 92 ALA MB . . 5.620 3.247 3.047 3.606 . 0 0 "[ . 1 . 2]" 1
536 1 20 LEU HA 1 21 PHE H . . 5.000 2.155 2.136 2.169 . 0 0 "[ . 1 . 2]" 1
537 1 20 LEU HA 1 21 PHE HB2 . . 5.760 4.353 4.315 4.396 . 0 0 "[ . 1 . 2]" 1
538 1 20 LEU HA 1 21 PHE QD . . 5.720 3.343 3.174 3.439 . 0 0 "[ . 1 . 2]" 1
539 1 20 LEU HA 1 51 PHE QE . . 6.000 5.800 5.667 6.004 0.004 8 0 "[ . 1 . 2]" 1
540 1 20 LEU HA 1 59 MET H . . 5.850 5.404 5.188 5.510 . 0 0 "[ . 1 . 2]" 1
541 1 20 LEU HA 1 59 MET HA . . 5.460 2.736 2.495 2.871 . 0 0 "[ . 1 . 2]" 1
542 1 20 LEU HA 1 59 MET HG2 . . 5.620 4.058 3.812 4.379 . 0 0 "[ . 1 . 2]" 1
543 1 20 LEU HA 1 59 MET HG3 . . 5.770 4.821 4.709 4.933 . 0 0 "[ . 1 . 2]" 1
544 1 20 LEU HA 1 59 MET QB . . 5.780 4.000 3.881 4.136 . 0 0 "[ . 1 . 2]" 1
545 1 20 LEU HA 1 59 MET ME . . 5.590 3.452 2.930 3.787 . 0 0 "[ . 1 . 2]" 1
546 1 20 LEU HA 1 60 VAL H . . 5.720 3.977 3.695 4.157 . 0 0 "[ . 1 . 2]" 1
547 1 20 LEU HA 1 60 VAL QG . . 5.820 4.881 4.541 5.094 . 0 0 "[ . 1 . 2]" 1
548 1 20 LEU HA 1 92 ALA MB . . 5.730 3.694 3.469 3.871 . 0 0 "[ . 1 . 2]" 1
549 1 20 LEU HB2 1 21 PHE H . . 5.830 4.099 4.060 4.166 . 0 0 "[ . 1 . 2]" 1
550 1 20 LEU HB2 1 59 MET HA . . 5.830 4.896 4.594 5.085 . 0 0 "[ . 1 . 2]" 1
551 1 20 LEU HB2 1 90 GLU H . . 5.780 4.975 4.796 5.099 . 0 0 "[ . 1 . 2]" 1
552 1 20 LEU HB2 1 90 GLU HG2 . . 5.930 4.772 4.367 5.167 . 0 0 "[ . 1 . 2]" 1
553 1 20 LEU HB2 1 90 GLU HG3 . . 5.930 4.467 4.232 5.810 . 0 0 "[ . 1 . 2]" 1
554 1 20 LEU HB2 1 90 GLU QG . . 5.790 4.076 3.917 4.350 . 0 0 "[ . 1 . 2]" 1
555 1 20 LEU HB2 1 92 ALA HA . . 5.890 3.587 3.377 3.754 . 0 0 "[ . 1 . 2]" 1
556 1 20 LEU HB2 1 92 ALA MB . . 5.250 2.830 2.417 3.116 . 0 0 "[ . 1 . 2]" 1
557 1 20 LEU HB3 1 21 PHE H . . 5.730 4.212 4.091 4.298 . 0 0 "[ . 1 . 2]" 1
558 1 20 LEU HB3 1 21 PHE HA . . 5.920 5.032 4.938 5.104 . 0 0 "[ . 1 . 2]" 1
559 1 20 LEU HB3 1 89 ILE HA . . 5.860 4.585 4.459 4.755 . 0 0 "[ . 1 . 2]" 1
560 1 20 LEU HB3 1 90 GLU H . . 5.490 3.414 3.334 3.589 . 0 0 "[ . 1 . 2]" 1
561 1 20 LEU HB3 1 90 GLU HB3 . . 5.870 5.383 5.231 5.700 . 0 0 "[ . 1 . 2]" 1
562 1 20 LEU HB3 1 90 GLU HG2 . . 5.690 3.072 2.785 3.461 . 0 0 "[ . 1 . 2]" 1
563 1 20 LEU HB3 1 90 GLU HG3 . . 5.690 3.094 2.920 4.331 . 0 0 "[ . 1 . 2]" 1
564 1 20 LEU HB3 1 90 GLU QG . . 5.520 2.723 2.603 3.018 . 0 0 "[ . 1 . 2]" 1
565 1 20 LEU HG 1 21 PHE H . . 5.740 2.952 2.339 3.218 . 0 0 "[ . 1 . 2]" 1
566 1 20 LEU HG 1 22 THR H . . 5.930 4.048 3.514 5.726 . 0 0 "[ . 1 . 2]" 1
567 1 20 LEU HG 1 51 PHE HZ . . 5.970 5.643 4.043 6.055 0.085 11 0 "[ . 1 . 2]" 1
568 1 20 LEU HG 1 51 PHE QE . . 5.830 5.474 4.333 5.843 0.013 10 0 "[ . 1 . 2]" 1
569 1 20 LEU HG 1 57 GLN HG2 . . 5.930 4.704 4.565 4.851 . 0 0 "[ . 1 . 2]" 1
570 1 20 LEU HG 1 58 ALA H . . 5.920 4.652 3.999 4.944 . 0 0 "[ . 1 . 2]" 1
571 1 20 LEU HG 1 59 MET HG2 . . 5.930 5.490 4.004 5.964 0.034 15 0 "[ . 1 . 2]" 1
572 1 20 LEU HG 1 90 GLU H . . 5.930 4.818 4.450 5.877 . 0 0 "[ . 1 . 2]" 1
573 1 20 LEU MD1 1 22 THR MG . . 5.710 4.431 4.141 5.114 . 0 0 "[ . 1 . 2]" 1
574 1 20 LEU MD1 1 51 PHE HZ . . 5.690 3.054 2.881 3.626 . 0 0 "[ . 1 . 2]" 1
575 1 20 LEU MD1 1 51 PHE QE . . 5.590 3.136 2.908 3.634 . 0 0 "[ . 1 . 2]" 1
576 1 20 LEU MD1 1 57 GLN HE21 . . 5.670 4.245 4.084 4.345 . 0 0 "[ . 1 . 2]" 1
577 1 20 LEU MD1 1 57 GLN HE22 . . 5.820 5.429 5.304 5.581 . 0 0 "[ . 1 . 2]" 1
578 1 20 LEU MD1 1 57 GLN HG2 . . 5.810 3.060 2.727 4.028 . 0 0 "[ . 1 . 2]" 1
579 1 20 LEU MD1 1 57 GLN HG3 . . 5.930 4.320 3.906 5.512 . 0 0 "[ . 1 . 2]" 1
580 1 20 LEU MD1 1 59 MET HG3 . . 5.870 4.043 3.777 4.594 . 0 0 "[ . 1 . 2]" 1
581 1 20 LEU MD1 1 59 MET ME . . 5.330 3.307 2.566 3.576 . 0 0 "[ . 1 . 2]" 1
582 1 20 LEU MD2 1 22 THR MG . . 5.710 4.050 3.386 4.512 . 0 0 "[ . 1 . 2]" 1
583 1 20 LEU MD2 1 51 PHE HZ . . 5.690 4.798 4.642 5.139 . 0 0 "[ . 1 . 2]" 1
584 1 20 LEU MD2 1 51 PHE QE . . 5.590 4.456 4.355 4.547 . 0 0 "[ . 1 . 2]" 1
585 1 20 LEU MD2 1 57 GLN HE21 . . 5.670 4.438 4.361 4.484 . 0 0 "[ . 1 . 2]" 1
586 1 20 LEU MD2 1 57 GLN HE22 . . 5.820 5.867 5.831 5.893 0.073 2 0 "[ . 1 . 2]" 1
587 1 20 LEU MD2 1 57 GLN HG2 . . 5.810 3.551 3.026 3.810 . 0 0 "[ . 1 . 2]" 1
588 1 20 LEU MD2 1 57 GLN HG3 . . 5.930 4.818 4.045 5.187 . 0 0 "[ . 1 . 2]" 1
589 1 20 LEU MD2 1 59 MET HG3 . . 5.870 5.967 5.917 6.065 0.195 12 0 "[ . 1 . 2]" 1
590 1 20 LEU MD2 1 59 MET ME . . 5.330 4.404 4.204 4.663 . 0 0 "[ . 1 . 2]" 1
591 1 20 LEU QD 1 21 PHE H . . 5.170 2.148 1.950 2.789 . 0 0 "[ . 1 . 2]" 1
592 1 20 LEU QD 1 21 PHE HA . . 5.850 3.853 3.094 4.126 . 0 0 "[ . 1 . 2]" 1
593 1 20 LEU QD 1 21 PHE HB2 . . 5.750 4.116 3.999 4.418 . 0 0 "[ . 1 . 2]" 1
594 1 20 LEU QD 1 22 THR MG . . 5.490 3.704 3.326 3.961 . 0 0 "[ . 1 . 2]" 1
595 1 20 LEU QD 1 51 PHE HZ . . 5.390 3.020 2.855 3.556 . 0 0 "[ . 1 . 2]" 1
596 1 20 LEU QD 1 51 PHE QE . . 5.070 3.071 2.867 3.484 . 0 0 "[ . 1 . 2]" 1
597 1 20 LEU QD 1 53 LYS QE . . 5.910 4.903 4.770 5.119 . 0 0 "[ . 1 . 2]" 1
598 1 20 LEU QD 1 57 GLN HA . . 5.760 4.096 3.965 4.492 . 0 0 "[ . 1 . 2]" 1
599 1 20 LEU QD 1 57 GLN HB2 . . 5.390 3.477 3.278 4.194 . 0 0 "[ . 1 . 2]" 1
600 1 20 LEU QD 1 57 GLN HB3 . . 5.000 2.414 2.220 3.147 . 0 0 "[ . 1 . 2]" 1
601 1 20 LEU QD 1 57 GLN HE21 . . 5.480 3.861 3.757 3.918 . 0 0 "[ . 1 . 2]" 1
602 1 20 LEU QD 1 57 GLN HE22 . . 5.660 5.005 4.922 5.098 . 0 0 "[ . 1 . 2]" 1
603 1 20 LEU QD 1 57 GLN HG2 . . 5.670 2.817 2.647 3.131 . 0 0 "[ . 1 . 2]" 1
604 1 20 LEU QD 1 57 GLN HG3 . . 5.770 3.932 3.748 4.289 . 0 0 "[ . 1 . 2]" 1
605 1 20 LEU QD 1 58 ALA H . . 5.440 3.241 3.048 3.886 . 0 0 "[ . 1 . 2]" 1
606 1 20 LEU QD 1 59 MET H . . 5.740 5.024 4.769 5.806 0.066 12 0 "[ . 1 . 2]" 1
607 1 20 LEU QD 1 59 MET HA . . 5.510 3.702 3.456 4.460 . 0 0 "[ . 1 . 2]" 1
608 1 20 LEU QD 1 59 MET HG2 . . 5.260 3.299 2.851 4.293 . 0 0 "[ . 1 . 2]" 1
609 1 20 LEU QD 1 59 MET HG3 . . 5.540 3.978 3.736 4.461 . 0 0 "[ . 1 . 2]" 1
610 1 20 LEU QD 1 59 MET ME . . 4.880 3.201 2.551 3.466 . 0 0 "[ . 1 . 2]" 1
611 1 20 LEU QD 1 60 VAL QG . . 5.910 5.319 5.211 5.603 . 0 0 "[ . 1 . 2]" 1
612 1 20 LEU QD 1 90 GLU QG . . 5.580 2.988 2.869 3.213 . 0 0 "[ . 1 . 2]" 1
613 1 21 PHE H 1 21 PHE QD . . 5.430 2.870 2.795 2.936 . 0 0 "[ . 1 . 2]" 1
614 1 21 PHE H 1 21 PHE QE . . 5.880 5.182 5.116 5.251 . 0 0 "[ . 1 . 2]" 1
615 1 21 PHE H 1 22 THR H . . 5.720 4.242 4.125 4.500 . 0 0 "[ . 1 . 2]" 1
616 1 21 PHE H 1 23 ILE MD . . 5.900 5.071 4.944 5.466 . 0 0 "[ . 1 . 2]" 1
617 1 21 PHE H 1 57 GLN HB3 . . 5.830 4.077 4.009 4.180 . 0 0 "[ . 1 . 2]" 1
618 1 21 PHE H 1 58 ALA H . . 5.410 3.076 3.003 3.175 . 0 0 "[ . 1 . 2]" 1
619 1 21 PHE H 1 58 ALA HA . . 5.850 4.861 4.784 4.913 . 0 0 "[ . 1 . 2]" 1
620 1 21 PHE H 1 58 ALA MB . . 5.540 3.928 3.763 4.003 . 0 0 "[ . 1 . 2]" 1
621 1 21 PHE H 1 59 MET H . . 5.800 4.767 4.661 4.842 . 0 0 "[ . 1 . 2]" 1
622 1 21 PHE H 1 59 MET HA . . 5.500 3.008 2.865 3.098 . 0 0 "[ . 1 . 2]" 1
623 1 21 PHE H 1 59 MET HG2 . . 5.730 4.156 3.932 4.476 . 0 0 "[ . 1 . 2]" 1
624 1 21 PHE H 1 59 MET QB . . 5.900 4.799 4.677 4.900 . 0 0 "[ . 1 . 2]" 1
625 1 21 PHE H 1 59 MET ME . . 6.000 4.935 4.409 5.230 . 0 0 "[ . 1 . 2]" 1
626 1 21 PHE H 1 60 VAL H . . 5.820 4.816 4.672 4.910 . 0 0 "[ . 1 . 2]" 1
627 1 21 PHE H 1 60 VAL QG . . 5.730 4.530 4.307 4.725 . 0 0 "[ . 1 . 2]" 1
628 1 21 PHE H 1 89 ILE HA . . 5.860 5.184 5.163 5.225 . 0 0 "[ . 1 . 2]" 1
629 1 21 PHE H 1 90 GLU H . . 5.840 5.549 5.525 5.574 . 0 0 "[ . 1 . 2]" 1
630 1 21 PHE HA 1 21 PHE QE . . 5.790 4.648 4.625 4.669 . 0 0 "[ . 1 . 2]" 1
631 1 21 PHE HA 1 22 THR H . . 4.980 2.148 2.113 2.190 . 0 0 "[ . 1 . 2]" 1
632 1 21 PHE HA 1 22 THR HA . . 5.920 4.361 4.341 4.392 . 0 0 "[ . 1 . 2]" 1
633 1 21 PHE HA 1 22 THR HB . . 5.920 4.989 4.907 5.030 . 0 0 "[ . 1 . 2]" 1
634 1 21 PHE HA 1 23 ILE HG13 . . 5.930 6.003 5.943 6.068 0.138 14 0 "[ . 1 . 2]" 1
635 1 21 PHE HA 1 35 LEU MD2 . . 5.930 5.641 5.527 5.790 . 0 0 "[ . 1 . 2]" 1
636 1 21 PHE HA 1 58 ALA H . . 5.770 4.604 4.504 4.651 . 0 0 "[ . 1 . 2]" 1
637 1 21 PHE HA 1 87 LEU HA . . 5.930 5.529 5.437 5.697 . 0 0 "[ . 1 . 2]" 1
638 1 21 PHE HA 1 87 LEU MD2 . . 5.800 4.290 4.192 4.532 . 0 0 "[ . 1 . 2]" 1
639 1 21 PHE HA 1 88 LYS H . . 5.690 4.092 3.879 4.218 . 0 0 "[ . 1 . 2]" 1
640 1 21 PHE HA 1 88 LYS HB2 . . 5.930 5.446 5.109 6.084 0.154 13 0 "[ . 1 . 2]" 1
641 1 21 PHE HA 1 88 LYS HB3 . . 5.900 5.879 4.836 5.999 0.099 4 0 "[ . 1 . 2]" 1
642 1 21 PHE HA 1 89 ILE H . . 5.780 5.380 5.323 5.410 . 0 0 "[ . 1 . 2]" 1
643 1 21 PHE HA 1 89 ILE HA . . 5.380 3.092 3.031 3.120 . 0 0 "[ . 1 . 2]" 1
644 1 21 PHE HA 1 89 ILE HG12 . . 5.630 2.832 2.683 3.010 . 0 0 "[ . 1 . 2]" 1
645 1 21 PHE HA 1 89 ILE HG13 . . 5.720 4.167 3.990 4.374 . 0 0 "[ . 1 . 2]" 1
646 1 21 PHE HA 1 89 ILE MD . . 5.830 4.361 4.234 4.504 . 0 0 "[ . 1 . 2]" 1
647 1 21 PHE HA 1 89 ILE MG . . 5.500 3.522 3.420 3.605 . 0 0 "[ . 1 . 2]" 1
648 1 21 PHE HA 1 90 GLU H . . 5.570 4.544 4.477 4.583 . 0 0 "[ . 1 . 2]" 1
649 1 21 PHE HB2 1 22 THR H . . 5.780 4.526 4.184 4.605 . 0 0 "[ . 1 . 2]" 1
650 1 21 PHE HB2 1 23 ILE HG13 . . 5.820 5.761 5.669 5.870 0.050 9 0 "[ . 1 . 2]" 1
651 1 21 PHE HB2 1 23 ILE MD . . 5.490 3.925 3.811 4.125 . 0 0 "[ . 1 . 2]" 1
652 1 21 PHE HB2 1 35 LEU MD1 . . 5.770 3.951 3.741 4.085 . 0 0 "[ . 1 . 2]" 1
653 1 21 PHE HB2 1 35 LEU MD2 . . 5.760 3.970 3.796 4.218 . 0 0 "[ . 1 . 2]" 1
654 1 21 PHE HB2 1 48 ILE MG . . 5.930 5.478 5.341 5.635 . 0 0 "[ . 1 . 2]" 1
655 1 21 PHE HB2 1 50 ILE HG12 . . 6.000 5.987 5.827 6.103 0.103 4 0 "[ . 1 . 2]" 1
656 1 21 PHE HB2 1 57 GLN HA . . 5.820 4.963 4.738 5.123 . 0 0 "[ . 1 . 2]" 1
657 1 21 PHE HB2 1 57 GLN HB3 . . 5.930 5.128 4.964 5.286 . 0 0 "[ . 1 . 2]" 1
658 1 21 PHE HB2 1 58 ALA H . . 5.380 3.085 2.925 3.242 . 0 0 "[ . 1 . 2]" 1
659 1 21 PHE HB2 1 58 ALA HA . . 5.790 4.497 4.308 4.662 . 0 0 "[ . 1 . 2]" 1
660 1 21 PHE HB2 1 58 ALA MB . . 5.260 2.298 2.128 2.381 . 0 0 "[ . 1 . 2]" 1
661 1 21 PHE HB2 1 60 VAL QG . . 5.760 3.541 3.384 3.629 . 0 0 "[ . 1 . 2]" 1
662 1 21 PHE HB2 1 87 LEU MD2 . . 5.760 4.541 4.450 4.784 . 0 0 "[ . 1 . 2]" 1
663 1 21 PHE HB2 1 89 ILE HA . . 5.880 5.889 5.825 5.911 0.031 15 0 "[ . 1 . 2]" 1
664 1 21 PHE HB3 1 22 THR H . . 5.660 3.676 2.992 3.867 . 0 0 "[ . 1 . 2]" 1
665 1 21 PHE HB3 1 23 ILE HG12 . . 5.900 5.484 5.406 5.538 . 0 0 "[ . 1 . 2]" 1
666 1 21 PHE HB3 1 23 ILE HG13 . . 5.710 4.350 4.273 4.424 . 0 0 "[ . 1 . 2]" 1
667 1 21 PHE HB3 1 23 ILE MD . . 5.430 3.265 3.154 3.347 . 0 0 "[ . 1 . 2]" 1
668 1 21 PHE HB3 1 35 LEU HB3 . . 5.890 5.889 5.689 5.966 0.076 14 0 "[ . 1 . 2]" 1
669 1 21 PHE HB3 1 35 LEU MD1 . . 5.760 4.323 4.124 4.437 . 0 0 "[ . 1 . 2]" 1
670 1 21 PHE HB3 1 35 LEU MD2 . . 5.480 3.587 3.454 3.737 . 0 0 "[ . 1 . 2]" 1
671 1 21 PHE HB3 1 58 ALA H . . 5.540 3.814 3.640 4.008 . 0 0 "[ . 1 . 2]" 1
672 1 21 PHE HB3 1 58 ALA MB . . 5.330 3.020 2.785 3.143 . 0 0 "[ . 1 . 2]" 1
673 1 21 PHE HB3 1 87 LEU HB3 . . 5.820 4.562 4.401 5.115 . 0 0 "[ . 1 . 2]" 1
674 1 21 PHE HB3 1 87 LEU MD2 . . 5.430 3.032 2.935 3.367 . 0 0 "[ . 1 . 2]" 1
675 1 21 PHE HB3 1 88 LYS H . . 5.850 4.852 4.583 4.948 . 0 0 "[ . 1 . 2]" 1
676 1 21 PHE HB3 1 89 ILE HA . . 5.880 5.494 5.397 5.534 . 0 0 "[ . 1 . 2]" 1
677 1 21 PHE HB3 1 89 ILE HG13 . . 5.900 5.446 5.281 5.612 . 0 0 "[ . 1 . 2]" 1
678 1 21 PHE QD 1 22 THR H . . 5.820 4.529 4.007 4.692 . 0 0 "[ . 1 . 2]" 1
679 1 21 PHE QD 1 30 ILE MG . . 5.930 5.729 5.462 5.902 . 0 0 "[ . 1 . 2]" 1
680 1 21 PHE QD 1 35 LEU MD1 . . 5.710 4.521 4.326 4.644 . 0 0 "[ . 1 . 2]" 1
681 1 21 PHE QD 1 35 LEU MD2 . . 5.290 3.218 3.049 3.333 . 0 0 "[ . 1 . 2]" 1
682 1 21 PHE QD 1 38 ILE MD . . 5.440 3.642 3.459 3.801 . 0 0 "[ . 1 . 2]" 1
683 1 21 PHE QD 1 58 ALA H . . 5.850 4.980 4.862 5.089 . 0 0 "[ . 1 . 2]" 1
684 1 21 PHE QD 1 58 ALA MB . . 5.630 3.964 3.773 4.042 . 0 0 "[ . 1 . 2]" 1
685 1 21 PHE QD 1 59 MET HA . . 5.830 3.202 2.993 3.403 . 0 0 "[ . 1 . 2]" 1
686 1 21 PHE QD 1 60 VAL H . . 5.770 3.569 3.443 3.742 . 0 0 "[ . 1 . 2]" 1
687 1 21 PHE QD 1 60 VAL QG . . 5.430 2.719 2.619 2.858 . 0 0 "[ . 1 . 2]" 1
688 1 21 PHE QD 1 80 ILE MD . . 5.690 4.596 4.430 4.773 . 0 0 "[ . 1 . 2]" 1
689 1 21 PHE QD 1 87 LEU HA . . 5.820 4.948 4.708 5.114 . 0 0 "[ . 1 . 2]" 1
690 1 21 PHE QD 1 87 LEU HB2 . . 5.850 4.767 4.624 5.340 . 0 0 "[ . 1 . 2]" 1
691 1 21 PHE QD 1 87 LEU HB3 . . 5.820 3.359 3.177 3.800 . 0 0 "[ . 1 . 2]" 1
692 1 21 PHE QD 1 87 LEU MD1 . . 5.730 2.566 2.451 3.344 . 0 0 "[ . 1 . 2]" 1
693 1 21 PHE QD 1 87 LEU MD2 . . 5.210 2.401 2.215 2.564 . 0 0 "[ . 1 . 2]" 1
694 1 21 PHE QD 1 88 LYS H . . 5.930 4.795 4.473 5.001 . 0 0 "[ . 1 . 2]" 1
695 1 21 PHE QD 1 89 ILE HA . . 5.560 4.652 4.521 4.708 . 0 0 "[ . 1 . 2]" 1
696 1 21 PHE QD 1 89 ILE HG12 . . 5.810 3.201 3.136 3.248 . 0 0 "[ . 1 . 2]" 1
697 1 21 PHE QD 1 89 ILE HG13 . . 5.860 4.302 4.224 4.377 . 0 0 "[ . 1 . 2]" 1
698 1 21 PHE QD 1 89 ILE MD . . 5.500 3.262 3.114 3.384 . 0 0 "[ . 1 . 2]" 1
699 1 21 PHE QD 1 89 ILE MG . . 5.410 3.337 3.153 3.475 . 0 0 "[ . 1 . 2]" 1
700 1 21 PHE QD 1 90 GLU H . . 5.780 5.198 5.018 5.287 . 0 0 "[ . 1 . 2]" 1
701 1 21 PHE QE 1 35 LEU MD1 . . 5.890 5.414 5.211 5.529 . 0 0 "[ . 1 . 2]" 1
702 1 21 PHE QE 1 38 ILE MD . . 5.370 2.980 2.885 3.096 . 0 0 "[ . 1 . 2]" 1
703 1 21 PHE QE 1 59 MET HA . . 5.930 4.961 4.761 5.162 . 0 0 "[ . 1 . 2]" 1
704 1 21 PHE QE 1 60 VAL H . . 5.830 4.129 3.924 4.359 . 0 0 "[ . 1 . 2]" 1
705 1 21 PHE QE 1 60 VAL HB . . 5.520 2.405 2.326 2.569 . 0 0 "[ . 1 . 2]" 1
706 1 21 PHE QE 1 60 VAL QG . . 5.310 2.692 2.597 2.803 . 0 0 "[ . 1 . 2]" 1
707 1 21 PHE QE 1 75 LEU MD1 . . 5.480 2.692 2.462 2.900 . 0 0 "[ . 1 . 2]" 1
708 1 21 PHE QE 1 87 LEU HB2 . . 5.900 5.153 4.926 5.509 . 0 0 "[ . 1 . 2]" 1
709 1 21 PHE QE 1 87 LEU HB3 . . 5.890 4.338 4.117 4.531 . 0 0 "[ . 1 . 2]" 1
710 1 21 PHE QE 1 87 LEU MD1 . . 5.480 2.728 2.521 2.910 . 0 0 "[ . 1 . 2]" 1
711 1 21 PHE QE 1 87 LEU MD2 . . 5.430 4.075 3.506 4.310 . 0 0 "[ . 1 . 2]" 1
712 1 21 PHE QE 1 89 ILE HA . . 5.790 5.318 5.171 5.395 . 0 0 "[ . 1 . 2]" 1
713 1 21 PHE QE 1 89 ILE HG12 . . 5.830 3.567 3.436 3.659 . 0 0 "[ . 1 . 2]" 1
714 1 21 PHE QE 1 89 ILE MD . . 5.350 2.355 2.305 2.414 . 0 0 "[ . 1 . 2]" 1
715 1 21 PHE QE 1 89 ILE MG . . 5.330 3.054 2.847 3.195 . 0 0 "[ . 1 . 2]" 1
716 1 21 PHE QE 1 90 GLU H . . 5.930 5.711 5.539 5.827 . 0 0 "[ . 1 . 2]" 1
717 1 22 THR H 1 23 ILE H . . 5.690 4.593 4.447 4.670 . 0 0 "[ . 1 . 2]" 1
718 1 22 THR H 1 23 ILE HG13 . . 5.930 5.438 4.546 5.646 . 0 0 "[ . 1 . 2]" 1
719 1 22 THR H 1 57 GLN HG2 . . 5.930 5.989 5.937 6.115 0.185 12 0 "[ . 1 . 2]" 1
720 1 22 THR H 1 58 ALA H . . 5.790 4.959 4.750 5.025 . 0 0 "[ . 1 . 2]" 1
721 1 22 THR H 1 87 LEU HA . . 5.890 4.585 4.070 4.832 . 0 0 "[ . 1 . 2]" 1
722 1 22 THR H 1 88 LYS H . . 5.520 2.925 2.579 3.111 . 0 0 "[ . 1 . 2]" 1
723 1 22 THR H 1 88 LYS HA . . 5.780 4.875 4.750 4.958 . 0 0 "[ . 1 . 2]" 1
724 1 22 THR H 1 88 LYS HB2 . . 5.510 3.644 3.388 4.361 . 0 0 "[ . 1 . 2]" 1
725 1 22 THR H 1 88 LYS HB3 . . 5.490 4.425 3.037 4.754 . 0 0 "[ . 1 . 2]" 1
726 1 22 THR H 1 88 LYS QG . . 5.900 5.199 4.690 5.422 . 0 0 "[ . 1 . 2]" 1
727 1 22 THR H 1 89 ILE H . . 5.790 5.056 4.981 5.215 . 0 0 "[ . 1 . 2]" 1
728 1 22 THR H 1 89 ILE HA . . 5.460 3.637 3.505 4.004 . 0 0 "[ . 1 . 2]" 1
729 1 22 THR H 1 89 ILE HG12 . . 5.890 4.022 3.838 4.178 . 0 0 "[ . 1 . 2]" 1
730 1 22 THR H 1 89 ILE HG13 . . 5.910 4.611 4.316 4.850 . 0 0 "[ . 1 . 2]" 1
731 1 22 THR H 1 90 GLU H . . 5.840 5.293 5.078 5.835 . 0 0 "[ . 1 . 2]" 1
732 1 22 THR HA 1 23 ILE H . . 5.060 2.193 2.140 2.250 . 0 0 "[ . 1 . 2]" 1
733 1 22 THR HA 1 23 ILE HB . . 5.830 4.507 4.426 4.541 . 0 0 "[ . 1 . 2]" 1
734 1 22 THR HA 1 57 GLN H . . 5.930 5.450 5.145 5.615 . 0 0 "[ . 1 . 2]" 1
735 1 22 THR HA 1 57 GLN HA . . 5.430 2.711 2.439 2.889 . 0 0 "[ . 1 . 2]" 1
736 1 22 THR HA 1 57 GLN HB2 . . 5.800 4.959 4.887 5.018 . 0 0 "[ . 1 . 2]" 1
737 1 22 THR HA 1 57 GLN HB3 . . 5.670 3.576 3.430 3.715 . 0 0 "[ . 1 . 2]" 1
738 1 22 THR HA 1 57 GLN HE21 . . 5.890 5.919 5.871 5.988 0.098 12 0 "[ . 1 . 2]" 1
739 1 22 THR HA 1 57 GLN HG2 . . 5.490 3.906 3.824 3.992 . 0 0 "[ . 1 . 2]" 1
740 1 22 THR HA 1 57 GLN HG3 . . 5.640 3.225 3.098 3.315 . 0 0 "[ . 1 . 2]" 1
741 1 22 THR HA 1 58 ALA H . . 5.540 3.852 3.637 3.939 . 0 0 "[ . 1 . 2]" 1
742 1 22 THR HA 1 88 LYS HB2 . . 5.930 5.020 4.765 5.673 . 0 0 "[ . 1 . 2]" 1
743 1 22 THR HB 1 23 ILE H . . 5.680 3.871 3.706 4.015 . 0 0 "[ . 1 . 2]" 1
744 1 22 THR HB 1 23 ILE HA . . 5.930 4.711 4.578 4.816 . 0 0 "[ . 1 . 2]" 1
745 1 22 THR HB 1 24 LEU MD1 . . 5.790 4.323 3.929 5.229 . 0 0 "[ . 1 . 2]" 1
746 1 22 THR HB 1 24 LEU MD2 . . 5.500 2.816 2.402 3.279 . 0 0 "[ . 1 . 2]" 1
747 1 22 THR HB 1 88 LYS H . . 5.650 3.442 3.227 3.675 . 0 0 "[ . 1 . 2]" 1
748 1 22 THR HB 1 88 LYS HA . . 5.850 5.019 4.848 5.163 . 0 0 "[ . 1 . 2]" 1
749 1 22 THR HB 1 88 LYS HB2 . . 5.410 2.278 2.047 3.061 . 0 0 "[ . 1 . 2]" 1
750 1 22 THR HB 1 88 LYS HB3 . . 5.350 3.643 2.186 3.928 . 0 0 "[ . 1 . 2]" 1
751 1 22 THR HB 1 88 LYS HD2 . . 5.740 4.284 3.573 5.834 0.094 9 0 "[ . 1 . 2]" 1
752 1 22 THR HB 1 88 LYS HD3 . . 6.000 5.078 4.693 5.852 . 0 0 "[ . 1 . 2]" 1
753 1 22 THR HB 1 88 LYS HG2 . . 5.790 4.970 3.879 5.437 . 0 0 "[ . 1 . 2]" 1
754 1 22 THR HB 1 88 LYS HG3 . . 5.790 4.234 3.769 5.004 . 0 0 "[ . 1 . 2]" 1
755 1 22 THR HB 1 88 LYS QD . . 5.550 4.010 3.498 5.123 . 0 0 "[ . 1 . 2]" 1
756 1 22 THR HB 1 88 LYS QG . . 5.610 3.988 3.425 4.321 . 0 0 "[ . 1 . 2]" 1
757 1 22 THR MG 1 23 ILE H . . 5.630 2.434 2.247 2.639 . 0 0 "[ . 1 . 2]" 1
758 1 22 THR MG 1 55 GLY QA . . 5.930 4.872 4.494 5.072 . 0 0 "[ . 1 . 2]" 1
759 1 22 THR MG 1 56 VAL H . . 5.910 4.084 3.640 4.346 . 0 0 "[ . 1 . 2]" 1
760 1 22 THR MG 1 57 GLN HA . . 5.890 3.747 3.432 3.993 . 0 0 "[ . 1 . 2]" 1
761 1 22 THR MG 1 57 GLN HB2 . . 5.830 4.969 4.702 5.167 . 0 0 "[ . 1 . 2]" 1
762 1 22 THR MG 1 57 GLN HB3 . . 5.460 4.051 3.846 4.263 . 0 0 "[ . 1 . 2]" 1
763 1 22 THR MG 1 57 GLN HE21 . . 5.610 4.351 4.197 4.492 . 0 0 "[ . 1 . 2]" 1
764 1 22 THR MG 1 57 GLN HE22 . . 5.840 5.421 5.197 5.576 . 0 0 "[ . 1 . 2]" 1
765 1 22 THR MG 1 57 GLN HG2 . . 5.640 3.115 2.764 3.434 . 0 0 "[ . 1 . 2]" 1
766 1 22 THR MG 1 57 GLN HG3 . . 5.720 2.551 2.268 2.819 . 0 0 "[ . 1 . 2]" 1
767 1 22 THR MG 1 58 ALA H . . 5.930 5.114 4.819 5.282 . 0 0 "[ . 1 . 2]" 1
768 1 22 THR MG 1 88 LYS HB2 . . 5.690 3.834 3.607 4.418 . 0 0 "[ . 1 . 2]" 1
769 1 22 THR MG 1 88 LYS HB3 . . 5.680 4.869 3.856 5.129 . 0 0 "[ . 1 . 2]" 1
770 1 22 THR MG 1 88 LYS QD . . 5.690 4.521 3.992 5.776 0.086 16 0 "[ . 1 . 2]" 1
771 1 23 ILE H 1 23 ILE HG12 . . 5.560 4.337 4.202 4.455 . 0 0 "[ . 1 . 2]" 1
772 1 23 ILE H 1 23 ILE HG13 . . 5.310 3.610 3.416 3.705 . 0 0 "[ . 1 . 2]" 1
773 1 23 ILE H 1 23 ILE MD . . 5.130 2.342 2.188 2.484 . 0 0 "[ . 1 . 2]" 1
774 1 23 ILE H 1 24 LEU H . . 5.760 4.418 4.310 4.513 . 0 0 "[ . 1 . 2]" 1
775 1 23 ILE H 1 56 VAL HA . . 5.930 5.478 5.107 5.646 . 0 0 "[ . 1 . 2]" 1
776 1 23 ILE H 1 56 VAL HB . . 5.820 4.002 3.591 4.207 . 0 0 "[ . 1 . 2]" 1
777 1 23 ILE H 1 56 VAL MG1 . . 5.650 4.000 3.775 4.298 . 0 0 "[ . 1 . 2]" 1
778 1 23 ILE H 1 57 GLN HA . . 5.360 3.129 3.006 3.350 . 0 0 "[ . 1 . 2]" 1
779 1 23 ILE H 1 57 GLN HB2 . . 5.930 5.833 5.741 5.956 0.026 12 0 "[ . 1 . 2]" 1
780 1 23 ILE H 1 57 GLN HB3 . . 5.760 4.959 4.794 5.199 . 0 0 "[ . 1 . 2]" 1
781 1 23 ILE H 1 57 GLN HG2 . . 5.780 5.108 4.993 5.196 . 0 0 "[ . 1 . 2]" 1
782 1 23 ILE H 1 57 GLN HG3 . . 5.580 3.716 3.658 3.784 . 0 0 "[ . 1 . 2]" 1
783 1 23 ILE H 1 58 ALA H . . 5.630 5.035 4.863 5.258 . 0 0 "[ . 1 . 2]" 1
784 1 23 ILE H 1 88 LYS H . . 5.890 5.314 5.233 5.381 . 0 0 "[ . 1 . 2]" 1
785 1 23 ILE H 1 88 LYS HB2 . . 5.930 5.786 5.248 5.983 0.053 13 0 "[ . 1 . 2]" 1
786 1 23 ILE HA 1 24 LEU H . . 5.130 2.143 2.114 2.187 . 0 0 "[ . 1 . 2]" 1
787 1 23 ILE HA 1 24 LEU HB2 . . 5.820 4.392 4.247 4.711 . 0 0 "[ . 1 . 2]" 1
788 1 23 ILE HA 1 24 LEU MD2 . . 5.420 3.111 2.845 3.834 . 0 0 "[ . 1 . 2]" 1
789 1 23 ILE HA 1 26 PRO HB3 . . 5.930 5.651 5.515 5.773 . 0 0 "[ . 1 . 2]" 1
790 1 23 ILE HA 1 80 ILE MD . . 5.680 4.805 4.620 4.891 . 0 0 "[ . 1 . 2]" 1
791 1 23 ILE HA 1 85 CYS HA . . 5.930 4.579 4.426 4.691 . 0 0 "[ . 1 . 2]" 1
792 1 23 ILE HA 1 86 THR HB . . 5.710 5.382 4.893 5.531 . 0 0 "[ . 1 . 2]" 1
793 1 23 ILE HA 1 88 LYS H . . 5.640 4.280 4.059 4.439 . 0 0 "[ . 1 . 2]" 1
794 1 23 ILE HB 1 24 LEU H . . 5.720 4.355 4.270 4.415 . 0 0 "[ . 1 . 2]" 1
795 1 23 ILE HB 1 26 PRO HA . . 5.830 4.573 4.323 4.766 . 0 0 "[ . 1 . 2]" 1
796 1 23 ILE HB 1 26 PRO HB2 . . 5.830 5.036 4.789 5.203 . 0 0 "[ . 1 . 2]" 1
797 1 23 ILE HB 1 26 PRO HB3 . . 5.780 3.329 3.092 3.499 . 0 0 "[ . 1 . 2]" 1
798 1 23 ILE HB 1 56 VAL H . . 5.850 4.860 4.718 5.106 . 0 0 "[ . 1 . 2]" 1
799 1 23 ILE HB 1 56 VAL HA . . 5.830 4.966 4.623 5.142 . 0 0 "[ . 1 . 2]" 1
800 1 23 ILE HB 1 56 VAL MG1 . . 4.900 2.550 2.286 2.875 . 0 0 "[ . 1 . 2]" 1
801 1 23 ILE HB 1 57 GLN HA . . 5.870 4.190 3.987 4.459 . 0 0 "[ . 1 . 2]" 1
802 1 23 ILE HB 1 85 CYS HA . . 5.900 5.371 5.071 5.660 . 0 0 "[ . 1 . 2]" 1
803 1 23 ILE HG12 1 24 LEU H . . 5.870 5.126 5.027 5.202 . 0 0 "[ . 1 . 2]" 1
804 1 23 ILE HG12 1 26 PRO HA . . 5.790 4.851 4.699 5.096 . 0 0 "[ . 1 . 2]" 1
805 1 23 ILE HG12 1 30 ILE HG13 . . 5.270 2.296 2.210 2.641 . 0 0 "[ . 1 . 2]" 1
806 1 23 ILE HG12 1 30 ILE MD . . 5.330 2.697 2.369 2.932 . 0 0 "[ . 1 . 2]" 1
807 1 23 ILE HG12 1 56 VAL MG1 . . 5.590 3.516 3.385 3.848 . 0 0 "[ . 1 . 2]" 1
808 1 23 ILE HG12 1 57 GLN HA . . 5.870 5.215 5.078 5.490 . 0 0 "[ . 1 . 2]" 1
809 1 23 ILE HG12 1 80 ILE MD . . 5.230 3.125 2.621 3.373 . 0 0 "[ . 1 . 2]" 1
810 1 23 ILE HG12 1 85 CYS HA . . 5.760 4.794 4.576 4.987 . 0 0 "[ . 1 . 2]" 1
811 1 23 ILE HG12 1 87 LEU HA . . 5.930 5.529 5.115 5.690 . 0 0 "[ . 1 . 2]" 1
812 1 23 ILE HG13 1 24 LEU H . . 5.720 4.241 4.165 4.392 . 0 0 "[ . 1 . 2]" 1
813 1 23 ILE HG13 1 35 LEU MD2 . . 5.700 4.199 4.056 4.416 . 0 0 "[ . 1 . 2]" 1
814 1 23 ILE HG13 1 56 VAL HB . . 5.930 5.753 5.539 5.886 . 0 0 "[ . 1 . 2]" 1
815 1 23 ILE HG13 1 56 VAL MG1 . . 5.570 4.473 4.323 4.584 . 0 0 "[ . 1 . 2]" 1
816 1 23 ILE HG13 1 57 GLN HA . . 5.790 4.945 4.789 5.083 . 0 0 "[ . 1 . 2]" 1
817 1 23 ILE HG13 1 58 ALA H . . 5.830 5.792 5.623 5.887 0.057 17 0 "[ . 1 . 2]" 1
818 1 23 ILE HG13 1 80 ILE HG13 . . 5.730 4.989 4.709 5.222 . 0 0 "[ . 1 . 2]" 1
819 1 23 ILE HG13 1 80 ILE MD . . 5.410 3.366 3.184 3.524 . 0 0 "[ . 1 . 2]" 1
820 1 23 ILE HG13 1 85 CYS HA . . 5.880 5.052 4.900 5.200 . 0 0 "[ . 1 . 2]" 1
821 1 23 ILE HG13 1 87 LEU HA . . 5.780 3.869 3.556 4.016 . 0 0 "[ . 1 . 2]" 1
822 1 23 ILE HG13 1 88 LYS H . . 5.820 5.057 4.691 5.194 . 0 0 "[ . 1 . 2]" 1
823 1 23 ILE MD 1 26 PRO HB3 . . 5.860 4.611 4.375 4.791 . 0 0 "[ . 1 . 2]" 1
824 1 23 ILE MD 1 26 PRO HD3 . . 5.900 5.836 5.746 5.937 0.037 5 0 "[ . 1 . 2]" 1
825 1 23 ILE MD 1 26 PRO QG . . 5.930 5.761 5.580 5.935 0.005 6 0 "[ . 1 . 2]" 1
826 1 23 ILE MD 1 30 ILE HB . . 5.420 3.921 3.683 4.105 . 0 0 "[ . 1 . 2]" 1
827 1 23 ILE MD 1 30 ILE HG12 . . 5.460 4.115 3.631 4.446 . 0 0 "[ . 1 . 2]" 1
828 1 23 ILE MD 1 30 ILE HG13 . . 5.320 2.755 2.349 3.050 . 0 0 "[ . 1 . 2]" 1
829 1 23 ILE MD 1 50 ILE MG . . 5.340 3.796 3.596 3.981 . 0 0 "[ . 1 . 2]" 1
830 1 23 ILE MD 1 52 ARG QD . . 5.900 5.169 4.944 5.277 . 0 0 "[ . 1 . 2]" 1
831 1 23 ILE MD 1 56 VAL HA . . 5.780 4.400 4.293 4.494 . 0 0 "[ . 1 . 2]" 1
832 1 23 ILE MD 1 56 VAL HB . . 5.490 3.767 3.528 3.881 . 0 0 "[ . 1 . 2]" 1
833 1 23 ILE MD 1 56 VAL MG1 . . 4.860 2.122 2.082 2.162 . 0 0 "[ . 1 . 2]" 1
834 1 23 ILE MD 1 57 GLN H . . 5.620 3.750 3.486 3.889 . 0 0 "[ . 1 . 2]" 1
835 1 23 ILE MD 1 57 GLN HA . . 5.450 2.328 2.202 2.436 . 0 0 "[ . 1 . 2]" 1
836 1 23 ILE MD 1 57 GLN HB2 . . 5.930 4.772 4.594 4.930 . 0 0 "[ . 1 . 2]" 1
837 1 23 ILE MD 1 58 ALA H . . 5.440 3.224 3.075 3.478 . 0 0 "[ . 1 . 2]" 1
838 1 23 ILE MD 1 58 ALA MB . . 5.020 2.735 2.463 2.968 . 0 0 "[ . 1 . 2]" 1
839 1 23 ILE MG 1 24 LEU H . . 5.300 2.776 2.574 2.912 . 0 0 "[ . 1 . 2]" 1
840 1 23 ILE MG 1 24 LEU HA . . 5.710 4.120 4.008 4.251 . 0 0 "[ . 1 . 2]" 1
841 1 23 ILE MG 1 24 LEU HB3 . . 5.870 5.276 5.125 5.405 . 0 0 "[ . 1 . 2]" 1
842 1 23 ILE MG 1 25 ASN HB2 . . 5.850 4.153 4.053 4.308 . 0 0 "[ . 1 . 2]" 1
843 1 23 ILE MG 1 25 ASN HB3 . . 5.910 4.939 4.858 5.050 . 0 0 "[ . 1 . 2]" 1
844 1 23 ILE MG 1 26 PRO HA . . 5.310 2.481 2.388 2.619 . 0 0 "[ . 1 . 2]" 1
845 1 23 ILE MG 1 26 PRO HB2 . . 5.450 3.846 3.705 4.118 . 0 0 "[ . 1 . 2]" 1
846 1 23 ILE MG 1 26 PRO HB3 . . 5.430 2.523 2.360 2.820 . 0 0 "[ . 1 . 2]" 1
847 1 23 ILE MG 1 26 PRO HD2 . . 5.850 4.026 3.950 4.232 . 0 0 "[ . 1 . 2]" 1
848 1 23 ILE MG 1 26 PRO HD3 . . 5.750 2.674 2.590 2.939 . 0 0 "[ . 1 . 2]" 1
849 1 23 ILE MG 1 26 PRO QG . . 5.630 3.743 3.643 4.024 . 0 0 "[ . 1 . 2]" 1
850 1 23 ILE MG 1 28 TYR H . . 5.830 4.699 4.619 4.789 . 0 0 "[ . 1 . 2]" 1
851 1 23 ILE MG 1 30 ILE HG13 . . 5.400 2.853 2.632 3.357 . 0 0 "[ . 1 . 2]" 1
852 1 23 ILE MG 1 30 ILE MD . . 5.060 2.410 2.177 2.670 . 0 0 "[ . 1 . 2]" 1
853 1 23 ILE MG 1 52 ARG QH1 . . 5.930 5.645 5.154 6.492 0.562 4 1 "[ +. 1 . 2]" 1
854 1 23 ILE MG 1 56 VAL HB . . 5.540 3.604 3.283 3.898 . 0 0 "[ . 1 . 2]" 1
855 1 23 ILE MG 1 56 VAL MG1 . . 5.120 3.086 2.746 3.320 . 0 0 "[ . 1 . 2]" 1
856 1 23 ILE MG 1 56 VAL MG2 . . 5.610 4.181 3.859 4.410 . 0 0 "[ . 1 . 2]" 1
857 1 23 ILE MG 1 57 GLN HA . . 5.910 5.488 5.329 5.694 . 0 0 "[ . 1 . 2]" 1
858 1 23 ILE MG 1 80 ILE MG . . 5.880 5.433 5.073 5.580 . 0 0 "[ . 1 . 2]" 1
859 1 23 ILE MG 1 81 TYR QD . . 5.930 5.442 5.148 5.711 . 0 0 "[ . 1 . 2]" 1
860 1 23 ILE MG 1 85 CYS H . . 5.590 4.166 3.966 4.380 . 0 0 "[ . 1 . 2]" 1
861 1 23 ILE MG 1 85 CYS HA . . 5.160 2.372 2.167 2.581 . 0 0 "[ . 1 . 2]" 1
862 1 23 ILE MG 1 85 CYS HB2 . . 5.710 4.277 3.898 4.535 . 0 0 "[ . 1 . 2]" 1
863 1 23 ILE MG 1 85 CYS HB3 . . 5.430 3.002 2.589 3.229 . 0 0 "[ . 1 . 2]" 1
864 1 23 ILE MG 1 86 THR H . . 5.430 4.126 3.817 4.407 . 0 0 "[ . 1 . 2]" 1
865 1 23 ILE MG 1 86 THR HA . . 5.930 5.129 4.860 5.436 . 0 0 "[ . 1 . 2]" 1
866 1 23 ILE MG 1 86 THR HB . . 5.720 5.328 4.980 5.617 . 0 0 "[ . 1 . 2]" 1
867 1 24 LEU H 1 24 LEU HG . . 5.540 3.630 2.217 4.069 . 0 0 "[ . 1 . 2]" 1
868 1 24 LEU H 1 24 LEU MD2 . . 5.330 2.443 2.259 3.028 . 0 0 "[ . 1 . 2]" 1
869 1 24 LEU H 1 24 LEU QD . . 5.170 2.409 2.239 2.918 . 0 0 "[ . 1 . 2]" 1
870 1 24 LEU H 1 25 ASN H . . 5.660 2.386 2.316 2.513 . 0 0 "[ . 1 . 2]" 1
871 1 24 LEU H 1 80 ILE MD . . 5.790 5.856 5.836 5.892 0.102 13 0 "[ . 1 . 2]" 1
872 1 24 LEU H 1 85 CYS H . . 5.870 5.492 5.302 5.564 . 0 0 "[ . 1 . 2]" 1
873 1 24 LEU H 1 85 CYS HA . . 5.670 4.023 3.878 4.096 . 0 0 "[ . 1 . 2]" 1
874 1 24 LEU H 1 86 THR H . . 5.330 3.938 3.692 4.030 . 0 0 "[ . 1 . 2]" 1
875 1 24 LEU H 1 86 THR HA . . 5.860 4.755 4.616 4.817 . 0 0 "[ . 1 . 2]" 1
876 1 24 LEU H 1 86 THR HB . . 5.390 3.696 3.207 3.823 . 0 0 "[ . 1 . 2]" 1
877 1 24 LEU H 1 86 THR MG . . 5.670 4.827 4.489 4.921 . 0 0 "[ . 1 . 2]" 1
878 1 24 LEU H 1 87 LEU HA . . 5.840 3.716 3.625 4.099 . 0 0 "[ . 1 . 2]" 1
879 1 24 LEU H 1 88 LYS H . . 5.680 5.109 5.018 5.286 . 0 0 "[ . 1 . 2]" 1
880 1 24 LEU HA 1 26 PRO HD3 . . 5.610 3.934 3.873 4.056 . 0 0 "[ . 1 . 2]" 1
881 1 24 LEU HA 1 26 PRO QG . . 5.930 5.497 5.428 5.627 . 0 0 "[ . 1 . 2]" 1
882 1 24 LEU HA 1 86 THR HB . . 6.000 5.244 4.875 5.335 . 0 0 "[ . 1 . 2]" 1
883 1 24 LEU HB2 1 25 ASN H . . 5.330 3.175 3.012 3.247 . 0 0 "[ . 1 . 2]" 1
884 1 24 LEU HB2 1 25 ASN HB2 . . 5.870 4.348 3.995 4.496 . 0 0 "[ . 1 . 2]" 1
885 1 24 LEU HB2 1 25 ASN HB3 . . 5.930 5.680 5.272 5.859 . 0 0 "[ . 1 . 2]" 1
886 1 24 LEU HB2 1 25 ASN HD21 . . 5.740 3.733 3.233 3.982 . 0 0 "[ . 1 . 2]" 1
887 1 24 LEU HB2 1 25 ASN HD22 . . 5.780 4.023 3.344 4.280 . 0 0 "[ . 1 . 2]" 1
888 1 24 LEU HB2 1 86 THR H . . 5.370 3.645 3.387 3.728 . 0 0 "[ . 1 . 2]" 1
889 1 24 LEU HB2 1 86 THR HB . . 5.290 2.262 2.117 2.345 . 0 0 "[ . 1 . 2]" 1
890 1 24 LEU HB2 1 86 THR MG . . 5.670 3.903 3.752 4.034 . 0 0 "[ . 1 . 2]" 1
891 1 24 LEU HB3 1 25 ASN H . . 5.470 3.939 3.806 4.077 . 0 0 "[ . 1 . 2]" 1
892 1 24 LEU HB3 1 25 ASN HB3 . . 5.860 5.840 5.663 5.988 0.128 12 0 "[ . 1 . 2]" 1
893 1 24 LEU HB3 1 25 ASN HD21 . . 5.860 4.195 4.037 4.493 . 0 0 "[ . 1 . 2]" 1
894 1 24 LEU HB3 1 86 THR H . . 5.700 4.992 4.842 5.177 . 0 0 "[ . 1 . 2]" 1
895 1 24 LEU HB3 1 86 THR HB . . 5.440 3.583 3.456 3.753 . 0 0 "[ . 1 . 2]" 1
896 1 24 LEU HB3 1 86 THR MG . . 5.710 4.883 4.734 5.017 . 0 0 "[ . 1 . 2]" 1
897 1 24 LEU HG 1 25 ASN H . . 5.910 5.240 4.314 5.487 . 0 0 "[ . 1 . 2]" 1
898 1 24 LEU HG 1 25 ASN HD22 . . 5.860 5.614 5.356 5.828 . 0 0 "[ . 1 . 2]" 1
899 1 24 LEU HG 1 86 THR H . . 5.880 5.643 4.598 5.920 0.040 14 0 "[ . 1 . 2]" 1
900 1 24 LEU HG 1 86 THR HB . . 5.490 3.309 2.464 3.528 . 0 0 "[ . 1 . 2]" 1
901 1 24 LEU HG 1 86 THR MG . . 5.580 4.084 3.486 4.259 . 0 0 "[ . 1 . 2]" 1
902 1 24 LEU HG 1 88 LYS H . . 6.000 5.358 4.324 6.065 0.065 13 0 "[ . 1 . 2]" 1
903 1 24 LEU MD1 1 25 ASN H . . 5.780 4.872 4.758 4.962 . 0 0 "[ . 1 . 2]" 1
904 1 24 LEU MD1 1 88 LYS HA . . 6.000 5.785 4.777 6.061 0.061 20 0 "[ . 1 . 2]" 1
905 1 24 LEU MD1 1 88 LYS QE . . 5.880 2.914 1.917 5.238 . 0 0 "[ . 1 . 2]" 1
906 1 24 LEU MD1 1 88 LYS QG . . 5.490 3.279 2.233 4.808 . 0 0 "[ . 1 . 2]" 1
907 1 24 LEU MD2 1 25 ASN H . . 5.620 4.230 4.068 4.537 . 0 0 "[ . 1 . 2]" 1
908 1 24 LEU MD2 1 25 ASN HD21 . . 5.930 5.736 5.379 5.943 0.013 12 0 "[ . 1 . 2]" 1
909 1 24 LEU MD2 1 26 PRO HD3 . . 5.880 5.428 5.323 5.645 . 0 0 "[ . 1 . 2]" 1
910 1 24 LEU MD2 1 86 THR H . . 5.790 5.139 4.568 5.767 . 0 0 "[ . 1 . 2]" 1
911 1 24 LEU MD2 1 86 THR HA . . 5.820 5.061 4.301 6.009 0.189 12 0 "[ . 1 . 2]" 1
912 1 24 LEU MD2 1 86 THR HB . . 5.190 3.604 2.761 4.209 . 0 0 "[ . 1 . 2]" 1
913 1 24 LEU MD2 1 86 THR MG . . 5.170 4.055 3.309 4.661 . 0 0 "[ . 1 . 2]" 1
914 1 24 LEU MD2 1 88 LYS H . . 5.730 3.336 3.033 4.646 . 0 0 "[ . 1 . 2]" 1
915 1 24 LEU MD2 1 88 LYS HA . . 5.610 4.288 3.712 5.174 . 0 0 "[ . 1 . 2]" 1
916 1 24 LEU MD2 1 88 LYS HB2 . . 5.380 2.550 2.025 3.380 . 0 0 "[ . 1 . 2]" 1
917 1 24 LEU MD2 1 88 LYS HB3 . . 5.450 3.820 3.225 4.277 . 0 0 "[ . 1 . 2]" 1
918 1 24 LEU MD2 1 88 LYS HG2 . . 5.530 3.362 2.121 4.601 . 0 0 "[ . 1 . 2]" 1
919 1 24 LEU MD2 1 88 LYS HG3 . . 5.530 2.289 2.118 3.802 . 0 0 "[ . 1 . 2]" 1
920 1 24 LEU MD2 1 88 LYS QD . . 5.610 2.774 2.248 4.083 . 0 0 "[ . 1 . 2]" 1
921 1 24 LEU MD2 1 88 LYS QG . . 5.310 2.205 1.954 3.631 . 0 0 "[ . 1 . 2]" 1
922 1 24 LEU QD 1 25 ASN H . . 5.570 3.983 3.851 4.202 . 0 0 "[ . 1 . 2]" 1
923 1 24 LEU QD 1 25 ASN HD21 . . 5.890 4.980 4.323 5.215 . 0 0 "[ . 1 . 2]" 1
924 1 24 LEU QD 1 86 THR H . . 5.630 4.723 4.380 4.929 . 0 0 "[ . 1 . 2]" 1
925 1 25 ASN H 1 25 ASN HD21 . . 5.830 3.946 3.804 4.038 . 0 0 "[ . 1 . 2]" 1
926 1 25 ASN H 1 25 ASN HD22 . . 5.850 4.873 4.698 4.961 . 0 0 "[ . 1 . 2]" 1
927 1 25 ASN H 1 26 PRO HA . . 5.800 4.313 4.276 4.373 . 0 0 "[ . 1 . 2]" 1
928 1 25 ASN H 1 26 PRO HB3 . . 5.930 4.760 4.703 4.831 . 0 0 "[ . 1 . 2]" 1
929 1 25 ASN H 1 26 PRO HD3 . . 5.460 3.146 3.103 3.196 . 0 0 "[ . 1 . 2]" 1
930 1 25 ASN H 1 26 PRO QG . . 5.930 4.976 4.940 5.029 . 0 0 "[ . 1 . 2]" 1
931 1 25 ASN H 1 86 THR H . . 5.860 3.398 3.146 3.505 . 0 0 "[ . 1 . 2]" 1
932 1 25 ASN H 1 86 THR HB . . 5.530 4.530 4.281 4.628 . 0 0 "[ . 1 . 2]" 1
933 1 25 ASN HA 1 26 PRO HB2 . . 5.930 5.702 5.693 5.711 . 0 0 "[ . 1 . 2]" 1
934 1 25 ASN HA 1 26 PRO HB3 . . 5.930 5.055 5.024 5.080 . 0 0 "[ . 1 . 2]" 1
935 1 25 ASN HA 1 26 PRO HD2 . . 5.180 2.100 2.080 2.125 . 0 0 "[ . 1 . 2]" 1
936 1 25 ASN HA 1 26 PRO HD3 . . 5.290 2.742 2.719 2.768 . 0 0 "[ . 1 . 2]" 1
937 1 25 ASN HA 1 26 PRO QG . . 5.630 3.973 3.955 3.994 . 0 0 "[ . 1 . 2]" 1
938 1 25 ASN HA 1 27 ILE H . . 5.770 3.937 3.875 4.008 . 0 0 "[ . 1 . 2]" 1
939 1 25 ASN HA 1 27 ILE MD . . 5.860 4.781 4.671 4.937 . 0 0 "[ . 1 . 2]" 1
940 1 25 ASN HA 1 27 ILE MG . . 5.660 3.385 3.316 3.497 . 0 0 "[ . 1 . 2]" 1
941 1 25 ASN HA 1 85 CYS H . . 5.770 4.479 4.444 4.528 . 0 0 "[ . 1 . 2]" 1
942 1 25 ASN HA 1 86 THR H . . 5.900 5.327 5.239 5.468 . 0 0 "[ . 1 . 2]" 1
943 1 25 ASN HB2 1 26 PRO HA . . 5.830 5.178 5.153 5.210 . 0 0 "[ . 1 . 2]" 1
944 1 25 ASN HB2 1 26 PRO HD2 . . 5.770 4.904 4.877 4.923 . 0 0 "[ . 1 . 2]" 1
945 1 25 ASN HB2 1 26 PRO HD3 . . 5.870 4.931 4.913 4.950 . 0 0 "[ . 1 . 2]" 1
946 1 25 ASN HB2 1 27 ILE MD . . 5.670 3.750 3.662 3.867 . 0 0 "[ . 1 . 2]" 1
947 1 25 ASN HB2 1 27 ILE MG . . 5.500 3.530 3.414 3.612 . 0 0 "[ . 1 . 2]" 1
948 1 25 ASN HB2 1 84 CYS HA . . 5.510 3.257 3.209 3.362 . 0 0 "[ . 1 . 2]" 1
949 1 25 ASN HB2 1 84 CYS HB3 . . 5.610 3.169 3.015 3.241 . 0 0 "[ . 1 . 2]" 1
950 1 25 ASN HB2 1 85 CYS H . . 5.490 1.882 1.851 1.940 . 0 0 "[ . 1 . 2]" 1
951 1 25 ASN HB2 1 85 CYS HA . . 5.670 2.961 2.881 3.141 . 0 0 "[ . 1 . 2]" 1
952 1 25 ASN HB2 1 86 THR H . . 5.680 2.693 2.572 2.966 . 0 0 "[ . 1 . 2]" 1
953 1 25 ASN HB3 1 26 PRO HD2 . . 5.660 4.267 4.237 4.287 . 0 0 "[ . 1 . 2]" 1
954 1 25 ASN HB3 1 26 PRO HD3 . . 5.870 4.933 4.914 4.948 . 0 0 "[ . 1 . 2]" 1
955 1 25 ASN HB3 1 27 ILE H . . 5.760 3.477 3.416 3.563 . 0 0 "[ . 1 . 2]" 1
956 1 25 ASN HB3 1 27 ILE MG . . 5.630 2.297 2.258 2.357 . 0 0 "[ . 1 . 2]" 1
957 1 25 ASN HB3 1 84 CYS HB3 . . 5.670 3.070 2.971 3.235 . 0 0 "[ . 1 . 2]" 1
958 1 25 ASN HB3 1 85 CYS H . . 5.650 2.846 2.731 3.072 . 0 0 "[ . 1 . 2]" 1
959 1 25 ASN HB3 1 85 CYS HA . . 5.930 4.242 4.121 4.495 . 0 0 "[ . 1 . 2]" 1
960 1 25 ASN HB3 1 86 THR H . . 5.910 4.434 4.301 4.725 . 0 0 "[ . 1 . 2]" 1
961 1 25 ASN HD21 1 27 ILE MD . . 5.790 5.356 5.288 5.469 . 0 0 "[ . 1 . 2]" 1
962 1 25 ASN HD21 1 27 ILE MG . . 5.700 5.015 4.951 5.069 . 0 0 "[ . 1 . 2]" 1
963 1 25 ASN HD21 1 84 CYS H . . 5.870 5.905 5.868 5.953 0.083 12 0 "[ . 1 . 2]" 1
964 1 25 ASN HD21 1 84 CYS HA . . 5.330 3.129 3.103 3.214 . 0 0 "[ . 1 . 2]" 1
965 1 25 ASN HD21 1 84 CYS HB2 . . 5.730 5.758 5.721 5.783 0.053 2 0 "[ . 1 . 2]" 1
966 1 25 ASN HD21 1 84 CYS HB3 . . 5.520 4.406 4.345 4.447 . 0 0 "[ . 1 . 2]" 1
967 1 25 ASN HD21 1 85 CYS H . . 5.660 3.470 3.384 3.524 . 0 0 "[ . 1 . 2]" 1
968 1 25 ASN HD21 1 85 CYS HA . . 5.920 4.547 4.399 4.621 . 0 0 "[ . 1 . 2]" 1
969 1 25 ASN HD21 1 86 THR H . . 5.560 2.619 2.515 2.770 . 0 0 "[ . 1 . 2]" 1
970 1 25 ASN HD21 1 86 THR HB . . 5.830 3.562 3.431 3.798 . 0 0 "[ . 1 . 2]" 1
971 1 25 ASN HD22 1 27 ILE MG . . 5.900 5.570 5.518 5.651 . 0 0 "[ . 1 . 2]" 1
972 1 25 ASN HD22 1 84 CYS HA . . 5.430 4.531 4.472 4.644 . 0 0 "[ . 1 . 2]" 1
973 1 25 ASN HD22 1 84 CYS HB3 . . 5.730 5.732 5.703 5.759 0.029 12 0 "[ . 1 . 2]" 1
974 1 25 ASN HD22 1 85 CYS H . . 5.730 5.065 5.013 5.136 . 0 0 "[ . 1 . 2]" 1
975 1 25 ASN HD22 1 86 THR H . . 5.600 4.242 4.050 4.388 . 0 0 "[ . 1 . 2]" 1
976 1 25 ASN HD22 1 86 THR HB . . 5.880 4.194 4.102 4.391 . 0 0 "[ . 1 . 2]" 1
977 1 26 PRO HA 1 27 ILE H . . 5.100 2.817 2.781 2.862 . 0 0 "[ . 1 . 2]" 1
978 1 26 PRO HA 1 27 ILE HA . . 5.800 4.701 4.687 4.715 . 0 0 "[ . 1 . 2]" 1
979 1 26 PRO HA 1 27 ILE MD . . 5.560 3.752 3.695 3.816 . 0 0 "[ . 1 . 2]" 1
980 1 26 PRO HA 1 27 ILE MG . . 5.660 4.214 4.191 4.236 . 0 0 "[ . 1 . 2]" 1
981 1 26 PRO HA 1 28 TYR H . . 5.500 2.921 2.863 2.957 . 0 0 "[ . 1 . 2]" 1
982 1 26 PRO HA 1 30 ILE MD . . 5.490 3.187 3.055 3.400 . 0 0 "[ . 1 . 2]" 1
983 1 26 PRO HA 1 56 VAL MG2 . . 5.870 4.434 4.261 4.548 . 0 0 "[ . 1 . 2]" 1
984 1 26 PRO HA 1 80 ILE MD . . 5.760 5.629 5.392 5.761 0.001 16 0 "[ . 1 . 2]" 1
985 1 26 PRO HA 1 84 CYS HB3 . . 5.900 5.914 5.719 5.962 0.062 2 0 "[ . 1 . 2]" 1
986 1 26 PRO HA 1 85 CYS H . . 5.700 4.895 4.805 4.968 . 0 0 "[ . 1 . 2]" 1
987 1 26 PRO HA 1 85 CYS HA . . 5.460 3.866 3.784 3.951 . 0 0 "[ . 1 . 2]" 1
988 1 26 PRO HA 1 85 CYS HB3 . . 5.800 4.790 4.698 4.895 . 0 0 "[ . 1 . 2]" 1
989 1 26 PRO HB2 1 28 TYR H . . 5.810 4.256 4.187 4.335 . 0 0 "[ . 1 . 2]" 1
990 1 26 PRO HB2 1 30 ILE H . . 5.930 5.455 5.229 5.693 . 0 0 "[ . 1 . 2]" 1
991 1 26 PRO HB2 1 30 ILE HG12 . . 5.850 4.462 4.171 4.869 . 0 0 "[ . 1 . 2]" 1
992 1 26 PRO HB2 1 30 ILE HG13 . . 5.920 5.268 4.872 5.860 . 0 0 "[ . 1 . 2]" 1
993 1 26 PRO HB2 1 30 ILE MD . . 5.740 4.764 4.671 4.891 . 0 0 "[ . 1 . 2]" 1
994 1 26 PRO HB2 1 56 VAL HB . . 5.610 3.883 3.584 4.208 . 0 0 "[ . 1 . 2]" 1
995 1 26 PRO HB2 1 56 VAL MG2 . . 5.220 2.352 2.178 2.508 . 0 0 "[ . 1 . 2]" 1
996 1 26 PRO HB3 1 27 ILE H . . 5.770 4.728 4.720 4.735 . 0 0 "[ . 1 . 2]" 1
997 1 26 PRO HB3 1 28 TYR H . . 5.800 4.923 4.855 4.987 . 0 0 "[ . 1 . 2]" 1
998 1 26 PRO HB3 1 30 ILE HG12 . . 5.930 4.242 4.040 4.465 . 0 0 "[ . 1 . 2]" 1
999 1 26 PRO HB3 1 56 VAL HA . . 5.930 5.334 5.245 5.406 . 0 0 "[ . 1 . 2]" 1
1000 1 26 PRO HB3 1 56 VAL HB . . 5.550 2.726 2.494 2.898 . 0 0 "[ . 1 . 2]" 1
1001 1 26 PRO HB3 1 56 VAL MG1 . . 5.830 2.419 2.259 2.661 . 0 0 "[ . 1 . 2]" 1
1002 1 26 PRO HB3 1 56 VAL MG2 . . 5.270 2.566 2.388 2.702 . 0 0 "[ . 1 . 2]" 1
1003 1 26 PRO HD2 1 27 ILE H . . 5.850 4.044 3.954 4.137 . 0 0 "[ . 1 . 2]" 1
1004 1 26 PRO HD2 1 27 ILE HA . . 5.930 5.153 5.064 5.210 . 0 0 "[ . 1 . 2]" 1
1005 1 26 PRO HD2 1 27 ILE MG . . 5.790 3.840 3.738 3.995 . 0 0 "[ . 1 . 2]" 1
1006 1 26 PRO HD2 1 56 VAL MG1 . . 5.920 5.689 5.548 5.946 0.026 13 0 "[ . 1 . 2]" 1
1007 1 26 PRO HD2 1 56 VAL MG2 . . 5.720 4.751 4.550 5.030 . 0 0 "[ . 1 . 2]" 1
1008 1 26 PRO HD2 1 85 CYS H . . 5.930 5.972 5.934 6.003 0.073 12 0 "[ . 1 . 2]" 1
1009 1 26 PRO HD3 1 27 ILE H . . 5.870 4.671 4.625 4.727 . 0 0 "[ . 1 . 2]" 1
1010 1 26 PRO HD3 1 27 ILE MG . . 5.930 4.866 4.797 4.975 . 0 0 "[ . 1 . 2]" 1
1011 1 26 PRO HD3 1 56 VAL H . . 5.930 5.886 5.654 5.974 0.044 14 0 "[ . 1 . 2]" 1
1012 1 26 PRO HD3 1 56 VAL HB . . 5.830 4.019 3.888 4.196 . 0 0 "[ . 1 . 2]" 1
1013 1 26 PRO HD3 1 56 VAL MG1 . . 5.730 4.666 4.466 4.941 . 0 0 "[ . 1 . 2]" 1
1014 1 26 PRO HD3 1 56 VAL MG2 . . 5.630 4.162 3.841 4.432 . 0 0 "[ . 1 . 2]" 1
1015 1 26 PRO HD3 1 85 CYS HA . . 5.800 5.025 4.933 5.086 . 0 0 "[ . 1 . 2]" 1
1016 1 26 PRO QG 1 27 ILE H . . 5.750 4.192 4.124 4.264 . 0 0 "[ . 1 . 2]" 1
1017 1 26 PRO QG 1 27 ILE HA . . 5.800 4.363 4.304 4.441 . 0 0 "[ . 1 . 2]" 1
1018 1 26 PRO QG 1 27 ILE MD . . 5.930 5.438 5.388 5.510 . 0 0 "[ . 1 . 2]" 1
1019 1 26 PRO QG 1 28 TYR H . . 5.910 5.049 5.031 5.076 . 0 0 "[ . 1 . 2]" 1
1020 1 26 PRO QG 1 55 GLY QA . . 5.820 4.956 4.647 5.251 . 0 0 "[ . 1 . 2]" 1
1021 1 26 PRO QG 1 56 VAL H . . 5.820 4.795 4.515 5.109 . 0 0 "[ . 1 . 2]" 1
1022 1 26 PRO QG 1 56 VAL MG1 . . 5.720 3.731 3.598 4.050 . 0 0 "[ . 1 . 2]" 1
1023 1 26 PRO QG 1 56 VAL MG2 . . 5.070 2.416 2.214 2.729 . 0 0 "[ . 1 . 2]" 1
1024 1 27 ILE H 1 27 ILE HG12 . . 5.540 3.870 3.840 3.887 . 0 0 "[ . 1 . 2]" 1
1025 1 27 ILE H 1 27 ILE HG13 . . 5.570 3.914 3.888 3.940 . 0 0 "[ . 1 . 2]" 1
1026 1 27 ILE H 1 27 ILE MD . . 5.300 2.131 2.094 2.165 . 0 0 "[ . 1 . 2]" 1
1027 1 27 ILE H 1 28 TYR H . . 5.310 2.636 2.586 2.657 . 0 0 "[ . 1 . 2]" 1
1028 1 27 ILE H 1 28 TYR HB2 . . 5.840 4.812 4.755 4.855 . 0 0 "[ . 1 . 2]" 1
1029 1 27 ILE H 1 84 CYS HB2 . . 5.650 5.176 5.002 5.283 . 0 0 "[ . 1 . 2]" 1
1030 1 27 ILE H 1 84 CYS HB3 . . 5.650 3.992 3.876 4.042 . 0 0 "[ . 1 . 2]" 1
1031 1 27 ILE H 1 85 CYS H . . 5.490 3.920 3.801 3.979 . 0 0 "[ . 1 . 2]" 1
1032 1 27 ILE HA 1 28 TYR H . . 5.340 3.345 3.334 3.358 . 0 0 "[ . 1 . 2]" 1
1033 1 27 ILE HA 1 28 TYR QD . . 5.880 5.352 5.310 5.385 . 0 0 "[ . 1 . 2]" 1
1034 1 27 ILE HB 1 28 TYR H . . 5.720 4.472 4.433 4.490 . 0 0 "[ . 1 . 2]" 1
1035 1 27 ILE HB 1 28 TYR QD . . 5.760 5.021 4.947 5.072 . 0 0 "[ . 1 . 2]" 1
1036 1 27 ILE HB 1 28 TYR QE . . 5.740 5.232 5.130 5.292 . 0 0 "[ . 1 . 2]" 1
1037 1 27 ILE HB 1 84 CYS HB2 . . 6.000 5.938 5.690 6.029 0.029 1 0 "[ . 1 . 2]" 1
1038 1 27 ILE HB 1 84 CYS HB3 . . 5.840 5.222 5.024 5.307 . 0 0 "[ . 1 . 2]" 1
1039 1 27 ILE HG12 1 28 TYR H . . 5.560 3.773 3.698 3.809 . 0 0 "[ . 1 . 2]" 1
1040 1 27 ILE HG12 1 28 TYR HA . . 5.840 4.247 4.176 4.335 . 0 0 "[ . 1 . 2]" 1
1041 1 27 ILE HG12 1 28 TYR HB3 . . 5.850 5.019 4.992 5.066 . 0 0 "[ . 1 . 2]" 1
1042 1 27 ILE HG12 1 28 TYR QD . . 5.430 2.922 2.818 2.997 . 0 0 "[ . 1 . 2]" 1
1043 1 27 ILE HG12 1 84 CYS HB2 . . 5.630 4.634 4.513 4.707 . 0 0 "[ . 1 . 2]" 1
1044 1 27 ILE HG12 1 84 CYS HB3 . . 5.790 4.602 4.551 4.737 . 0 0 "[ . 1 . 2]" 1
1045 1 27 ILE HG13 1 28 TYR H . . 5.780 4.833 4.767 4.873 . 0 0 "[ . 1 . 2]" 1
1046 1 27 ILE HG13 1 28 TYR QD . . 5.640 3.871 3.781 3.952 . 0 0 "[ . 1 . 2]" 1
1047 1 27 ILE HG13 1 84 CYS HA . . 5.930 5.778 5.656 5.932 0.002 17 0 "[ . 1 . 2]" 1
1048 1 27 ILE HG13 1 84 CYS HB2 . . 5.570 3.723 3.485 3.815 . 0 0 "[ . 1 . 2]" 1
1049 1 27 ILE HG13 1 84 CYS HB3 . . 5.610 3.474 3.355 3.651 . 0 0 "[ . 1 . 2]" 1
1050 1 27 ILE MD 1 28 TYR H . . 5.380 2.231 2.163 2.270 . 0 0 "[ . 1 . 2]" 1
1051 1 27 ILE MD 1 28 TYR HB3 . . 5.640 4.089 4.050 4.144 . 0 0 "[ . 1 . 2]" 1
1052 1 27 ILE MD 1 28 TYR QD . . 5.390 2.147 2.131 2.190 . 0 0 "[ . 1 . 2]" 1
1053 1 27 ILE MD 1 28 TYR QE . . 5.400 3.320 3.264 3.370 . 0 0 "[ . 1 . 2]" 1
1054 1 27 ILE MD 1 29 SER H . . 5.890 5.547 5.507 5.602 . 0 0 "[ . 1 . 2]" 1
1055 1 27 ILE MD 1 81 TYR HB3 . . 5.850 4.172 3.940 4.270 . 0 0 "[ . 1 . 2]" 1
1056 1 27 ILE MD 1 81 TYR QD . . 5.530 3.675 3.490 3.792 . 0 0 "[ . 1 . 2]" 1
1057 1 27 ILE MD 1 84 CYS H . . 5.700 4.543 4.438 4.583 . 0 0 "[ . 1 . 2]" 1
1058 1 27 ILE MD 1 84 CYS HA . . 5.660 4.081 4.040 4.141 . 0 0 "[ . 1 . 2]" 1
1059 1 27 ILE MD 1 84 CYS HB2 . . 5.330 2.276 2.224 2.314 . 0 0 "[ . 1 . 2]" 1
1060 1 27 ILE MD 1 84 CYS HB3 . . 5.310 1.949 1.914 1.996 . 0 0 "[ . 1 . 2]" 1
1061 1 27 ILE MD 1 85 CYS H . . 5.560 2.762 2.701 2.931 . 0 0 "[ . 1 . 2]" 1
1062 1 27 ILE MD 1 85 CYS HA . . 5.780 3.867 3.802 4.027 . 0 0 "[ . 1 . 2]" 1
1063 1 27 ILE MD 1 85 CYS HB2 . . 5.570 3.948 3.802 4.013 . 0 0 "[ . 1 . 2]" 1
1064 1 27 ILE MD 1 86 THR H . . 5.900 5.166 5.091 5.331 . 0 0 "[ . 1 . 2]" 1
1065 1 27 ILE MG 1 28 TYR H . . 5.590 3.910 3.869 3.946 . 0 0 "[ . 1 . 2]" 1
1066 1 27 ILE MG 1 28 TYR QE . . 5.860 5.391 5.320 5.438 . 0 0 "[ . 1 . 2]" 1
1067 1 27 ILE MG 1 84 CYS HB2 . . 5.830 4.122 3.868 4.250 . 0 0 "[ . 1 . 2]" 1
1068 1 27 ILE MG 1 84 CYS HB3 . . 5.710 2.948 2.710 3.056 . 0 0 "[ . 1 . 2]" 1
1069 1 27 ILE MG 1 85 CYS H . . 5.610 3.555 3.402 3.642 . 0 0 "[ . 1 . 2]" 1
1070 1 27 ILE MG 1 85 CYS HB2 . . 6.000 5.945 5.749 6.023 0.023 20 0 "[ . 1 . 2]" 1
1071 1 28 TYR H 1 28 TYR QD . . 5.520 3.944 3.878 3.968 . 0 0 "[ . 1 . 2]" 1
1072 1 28 TYR H 1 29 SER H . . 5.700 4.487 4.453 4.507 . 0 0 "[ . 1 . 2]" 1
1073 1 28 TYR H 1 29 SER HA . . 5.830 4.991 4.825 5.068 . 0 0 "[ . 1 . 2]" 1
1074 1 28 TYR H 1 30 ILE HG12 . . 5.930 4.933 4.564 5.482 . 0 0 "[ . 1 . 2]" 1
1075 1 28 TYR H 1 30 ILE MD . . 5.520 3.896 3.783 4.151 . 0 0 "[ . 1 . 2]" 1
1076 1 28 TYR H 1 81 TYR QD . . 5.920 5.569 5.404 5.695 . 0 0 "[ . 1 . 2]" 1
1077 1 28 TYR H 1 84 CYS HB3 . . 5.930 5.592 5.494 5.686 . 0 0 "[ . 1 . 2]" 1
1078 1 28 TYR H 1 85 CYS HB2 . . 5.930 5.909 5.740 5.966 0.036 12 0 "[ . 1 . 2]" 1
1079 1 28 TYR H 1 85 CYS HB3 . . 5.930 5.725 5.610 5.811 . 0 0 "[ . 1 . 2]" 1
1080 1 28 TYR HA 1 29 SER H . . 5.070 2.343 2.319 2.358 . 0 0 "[ . 1 . 2]" 1
1081 1 28 TYR HA 1 29 SER HA . . 5.770 4.289 4.272 4.314 . 0 0 "[ . 1 . 2]" 1
1082 1 28 TYR HB2 1 29 SER H . . 5.240 3.890 3.852 3.946 . 0 0 "[ . 1 . 2]" 1
1083 1 28 TYR HB2 1 29 SER QB . . 5.900 5.523 5.414 5.582 . 0 0 "[ . 1 . 2]" 1
1084 1 28 TYR HB2 1 30 ILE MD . . 5.690 3.833 3.667 4.053 . 0 0 "[ . 1 . 2]" 1
1085 1 28 TYR HB2 1 81 TYR QD . . 5.460 3.957 3.887 4.012 . 0 0 "[ . 1 . 2]" 1
1086 1 28 TYR HB2 1 81 TYR QE . . 5.390 2.814 2.647 2.963 . 0 0 "[ . 1 . 2]" 1
1087 1 28 TYR HB3 1 29 SER H . . 5.880 2.544 2.478 2.679 . 0 0 "[ . 1 . 2]" 1
1088 1 28 TYR HB3 1 29 SER HA . . 6.000 4.720 4.685 4.786 . 0 0 "[ . 1 . 2]" 1
1089 1 28 TYR HB3 1 29 SER QB . . 5.850 4.214 4.101 4.357 . 0 0 "[ . 1 . 2]" 1
1090 1 28 TYR HB3 1 30 ILE MD . . 5.760 4.310 4.150 4.546 . 0 0 "[ . 1 . 2]" 1
1091 1 28 TYR HB3 1 81 TYR QD . . 5.790 5.015 4.916 5.082 . 0 0 "[ . 1 . 2]" 1
1092 1 28 TYR HB3 1 81 TYR QE . . 5.540 3.329 3.241 3.413 . 0 0 "[ . 1 . 2]" 1
1093 1 28 TYR QD 1 29 SER H . . 5.880 3.113 2.996 3.376 . 0 0 "[ . 1 . 2]" 1
1094 1 28 TYR QD 1 80 ILE MG . . 5.920 5.947 5.914 5.967 0.047 6 0 "[ . 1 . 2]" 1
1095 1 28 TYR QD 1 81 TYR HB3 . . 5.580 4.418 4.361 4.504 . 0 0 "[ . 1 . 2]" 1
1096 1 28 TYR QD 1 81 TYR QD . . 5.350 3.498 3.445 3.557 . 0 0 "[ . 1 . 2]" 1
1097 1 28 TYR QD 1 85 CYS HB2 . . 5.870 5.328 5.193 5.534 . 0 0 "[ . 1 . 2]" 1
1098 1 28 TYR QE 1 81 TYR HB2 . . 5.590 5.383 5.202 5.541 . 0 0 "[ . 1 . 2]" 1
1099 1 28 TYR QE 1 81 TYR HB3 . . 5.570 4.754 4.591 4.856 . 0 0 "[ . 1 . 2]" 1
1100 1 28 TYR QE 1 84 CYS HB3 . . 5.930 5.785 5.597 5.961 0.031 4 0 "[ . 1 . 2]" 1
1101 1 29 SER H 1 30 ILE H . . 5.720 4.492 4.432 4.596 . 0 0 "[ . 1 . 2]" 1
1102 1 29 SER H 1 30 ILE MD . . 5.780 4.875 4.798 4.941 . 0 0 "[ . 1 . 2]" 1
1103 1 29 SER H 1 81 TYR QE . . 5.770 5.251 5.135 5.327 . 0 0 "[ . 1 . 2]" 1
1104 1 29 SER HA 1 30 ILE H . . 5.380 2.162 2.151 2.176 . 0 0 "[ . 1 . 2]" 1
1105 1 29 SER HA 1 30 ILE HG12 . . 5.570 3.709 3.493 3.845 . 0 0 "[ . 1 . 2]" 1
1106 1 29 SER HB2 1 30 ILE H . . 5.700 4.371 4.206 4.449 . 0 0 "[ . 1 . 2]" 1
1107 1 29 SER HB2 1 31 THR MG . . 5.580 4.261 3.657 5.253 . 0 0 "[ . 1 . 2]" 1
1108 1 29 SER HB3 1 30 ILE H . . 5.700 3.907 3.588 4.400 . 0 0 "[ . 1 . 2]" 1
1109 1 29 SER HB3 1 31 THR MG . . 5.580 3.567 3.325 3.897 . 0 0 "[ . 1 . 2]" 1
1110 1 29 SER QB 1 30 ILE H . . 5.420 3.624 3.435 3.902 . 0 0 "[ . 1 . 2]" 1
1111 1 29 SER QB 1 30 ILE HG12 . . 5.900 5.308 5.191 5.481 . 0 0 "[ . 1 . 2]" 1
1112 1 29 SER QB 1 30 ILE MD . . 5.880 5.006 4.913 5.146 . 0 0 "[ . 1 . 2]" 1
1113 1 29 SER QB 1 31 THR MG . . 5.390 3.376 3.087 3.798 . 0 0 "[ . 1 . 2]" 1
1114 1 29 SER QB 1 81 TYR QE . . 6.000 5.927 5.772 6.074 0.074 17 0 "[ . 1 . 2]" 1
1115 1 30 ILE H 1 30 ILE HG12 . . 5.310 2.071 1.992 2.142 . 0 0 "[ . 1 . 2]" 1
1116 1 30 ILE H 1 30 ILE HG13 . . 5.500 3.572 3.518 3.616 . 0 0 "[ . 1 . 2]" 1
1117 1 30 ILE H 1 30 ILE MD . . 5.430 3.093 2.991 3.178 . 0 0 "[ . 1 . 2]" 1
1118 1 30 ILE H 1 31 THR H . . 5.770 4.635 4.617 4.664 . 0 0 "[ . 1 . 2]" 1
1119 1 30 ILE H 1 31 THR HA . . 5.930 5.372 5.302 5.407 . 0 0 "[ . 1 . 2]" 1
1120 1 30 ILE H 1 31 THR MG . . 5.710 4.335 4.261 4.475 . 0 0 "[ . 1 . 2]" 1
1121 1 30 ILE H 1 34 VAL QG . . 5.900 5.359 5.218 5.862 . 0 0 "[ . 1 . 2]" 1
1122 1 30 ILE H 1 52 ARG QH1 . . 5.920 2.756 2.382 4.011 . 0 0 "[ . 1 . 2]" 1
1123 1 30 ILE H 1 56 VAL MG1 . . 5.760 3.975 3.380 4.414 . 0 0 "[ . 1 . 2]" 1
1124 1 30 ILE H 1 81 TYR QE . . 5.860 5.933 5.880 5.953 0.093 5 0 "[ . 1 . 2]" 1
1125 1 30 ILE HA 1 31 THR H . . 4.960 2.250 2.206 2.320 . 0 0 "[ . 1 . 2]" 1
1126 1 30 ILE HA 1 31 THR HA . . 5.750 4.432 4.424 4.450 . 0 0 "[ . 1 . 2]" 1
1127 1 30 ILE HA 1 31 THR MG . . 5.570 3.275 3.224 3.317 . 0 0 "[ . 1 . 2]" 1
1128 1 30 ILE HA 1 34 VAL H . . 5.930 5.825 5.689 5.966 0.036 17 0 "[ . 1 . 2]" 1
1129 1 30 ILE HA 1 34 VAL MG1 . . 5.510 4.241 3.153 4.580 . 0 0 "[ . 1 . 2]" 1
1130 1 30 ILE HA 1 34 VAL MG2 . . 5.510 3.364 3.076 5.234 . 0 0 "[ . 1 . 2]" 1
1131 1 30 ILE HA 1 34 VAL QG . . 5.200 3.149 3.008 3.705 . 0 0 "[ . 1 . 2]" 1
1132 1 30 ILE HA 1 35 LEU HG . . 5.880 4.989 4.873 5.094 . 0 0 "[ . 1 . 2]" 1
1133 1 30 ILE HA 1 35 LEU MD2 . . 5.810 5.095 4.991 5.194 . 0 0 "[ . 1 . 2]" 1
1134 1 30 ILE HA 1 80 ILE MD . . 5.770 4.048 3.826 4.145 . 0 0 "[ . 1 . 2]" 1
1135 1 30 ILE HA 1 80 ILE MG . . 5.790 4.439 4.276 4.546 . 0 0 "[ . 1 . 2]" 1
1136 1 30 ILE HA 1 81 TYR QE . . 5.660 4.325 4.158 4.407 . 0 0 "[ . 1 . 2]" 1
1137 1 30 ILE HB 1 31 THR H . . 5.670 3.925 3.785 4.025 . 0 0 "[ . 1 . 2]" 1
1138 1 30 ILE HB 1 31 THR MG . . 5.850 4.798 4.780 4.833 . 0 0 "[ . 1 . 2]" 1
1139 1 30 ILE HB 1 34 VAL QG . . 5.730 4.886 4.744 5.587 . 0 0 "[ . 1 . 2]" 1
1140 1 30 ILE HB 1 35 LEU MD1 . . 5.860 4.092 3.769 4.331 . 0 0 "[ . 1 . 2]" 1
1141 1 30 ILE HB 1 35 LEU MD2 . . 5.790 4.922 4.607 5.110 . 0 0 "[ . 1 . 2]" 1
1142 1 30 ILE HB 1 50 ILE MD . . 5.190 2.770 2.428 3.024 . 0 0 "[ . 1 . 2]" 1
1143 1 30 ILE HG12 1 31 THR H . . 5.920 5.183 5.156 5.203 . 0 0 "[ . 1 . 2]" 1
1144 1 30 ILE HG12 1 34 VAL QG . . 5.900 5.375 5.168 5.906 0.006 17 0 "[ . 1 . 2]" 1
1145 1 30 ILE HG12 1 35 LEU MD2 . . 5.930 5.820 5.542 5.948 0.018 19 0 "[ . 1 . 2]" 1
1146 1 30 ILE HG12 1 56 VAL MG2 . . 5.820 4.766 4.346 5.085 . 0 0 "[ . 1 . 2]" 1
1147 1 30 ILE HG12 1 81 TYR QE . . 5.840 5.617 5.447 5.826 . 0 0 "[ . 1 . 2]" 1
1148 1 30 ILE HG13 1 31 THR H . . 5.920 5.284 5.172 5.336 . 0 0 "[ . 1 . 2]" 1
1149 1 30 ILE HG13 1 34 VAL QG . . 5.890 5.199 4.975 5.756 . 0 0 "[ . 1 . 2]" 1
1150 1 30 ILE HG13 1 56 VAL HB . . 5.930 5.060 4.717 5.278 . 0 0 "[ . 1 . 2]" 1
1151 1 30 ILE HG13 1 56 VAL MG1 . . 5.450 2.837 2.590 3.016 . 0 0 "[ . 1 . 2]" 1
1152 1 30 ILE HG13 1 56 VAL MG2 . . 5.930 5.090 4.942 5.249 . 0 0 "[ . 1 . 2]" 1
1153 1 30 ILE MD 1 31 THR H . . 5.590 3.822 3.774 3.884 . 0 0 "[ . 1 . 2]" 1
1154 1 30 ILE MD 1 34 VAL HB . . 5.860 5.497 4.666 5.869 0.009 8 0 "[ . 1 . 2]" 1
1155 1 30 ILE MD 1 34 VAL MG1 . . 5.730 4.592 3.465 5.030 . 0 0 "[ . 1 . 2]" 1
1156 1 30 ILE MD 1 34 VAL MG2 . . 5.730 3.549 3.149 4.823 . 0 0 "[ . 1 . 2]" 1
1157 1 30 ILE MD 1 34 VAL QG . . 5.280 3.322 3.093 3.691 . 0 0 "[ . 1 . 2]" 1
1158 1 30 ILE MD 1 35 LEU MD2 . . 5.540 3.834 3.741 3.936 . 0 0 "[ . 1 . 2]" 1
1159 1 30 ILE MD 1 80 ILE HG12 . . 5.670 4.692 4.529 4.804 . 0 0 "[ . 1 . 2]" 1
1160 1 30 ILE MD 1 80 ILE MD . . 4.920 2.131 2.009 2.197 . 0 0 "[ . 1 . 2]" 1
1161 1 30 ILE MD 1 80 ILE MG . . 5.250 3.306 3.071 3.442 . 0 0 "[ . 1 . 2]" 1
1162 1 30 ILE MD 1 81 TYR QD . . 5.490 3.950 3.863 4.076 . 0 0 "[ . 1 . 2]" 1
1163 1 30 ILE MD 1 81 TYR QE . . 5.210 3.075 2.907 3.232 . 0 0 "[ . 1 . 2]" 1
1164 1 30 ILE MD 1 85 CYS HA . . 5.660 3.911 3.785 4.081 . 0 0 "[ . 1 . 2]" 1
1165 1 30 ILE MD 1 85 CYS HB2 . . 5.630 3.912 3.842 4.039 . 0 0 "[ . 1 . 2]" 1
1166 1 30 ILE MD 1 85 CYS HB3 . . 5.460 2.802 2.728 2.906 . 0 0 "[ . 1 . 2]" 1
1167 1 30 ILE MG 1 31 THR H . . 5.630 2.347 2.174 2.452 . 0 0 "[ . 1 . 2]" 1
1168 1 30 ILE MG 1 31 THR HA . . 5.640 3.589 3.531 3.643 . 0 0 "[ . 1 . 2]" 1
1169 1 30 ILE MG 1 32 THR H . . 5.910 4.906 4.861 4.989 . 0 0 "[ . 1 . 2]" 1
1170 1 30 ILE MG 1 32 THR HA . . 5.830 4.619 4.467 4.798 . 0 0 "[ . 1 . 2]" 1
1171 1 30 ILE MG 1 34 VAL H . . 5.820 4.930 4.794 5.116 . 0 0 "[ . 1 . 2]" 1
1172 1 30 ILE MG 1 34 VAL HB . . 5.710 4.961 3.395 5.329 . 0 0 "[ . 1 . 2]" 1
1173 1 30 ILE MG 1 34 VAL MG1 . . 5.560 4.205 2.868 4.471 . 0 0 "[ . 1 . 2]" 1
1174 1 30 ILE MG 1 34 VAL MG2 . . 5.560 2.907 2.557 4.794 . 0 0 "[ . 1 . 2]" 1
1175 1 30 ILE MG 1 34 VAL QG . . 4.900 2.699 2.537 3.420 . 0 0 "[ . 1 . 2]" 1
1176 1 30 ILE MG 1 35 LEU H . . 5.650 4.160 3.889 4.325 . 0 0 "[ . 1 . 2]" 1
1177 1 30 ILE MG 1 35 LEU HA . . 5.880 4.797 4.511 4.959 . 0 0 "[ . 1 . 2]" 1
1178 1 30 ILE MG 1 35 LEU HB2 . . 5.800 4.468 4.270 4.597 . 0 0 "[ . 1 . 2]" 1
1179 1 30 ILE MG 1 35 LEU HG . . 5.230 2.603 2.350 2.761 . 0 0 "[ . 1 . 2]" 1
1180 1 30 ILE MG 1 35 LEU MD1 . . 4.960 2.199 2.079 2.300 . 0 0 "[ . 1 . 2]" 1
1181 1 30 ILE MG 1 35 LEU MD2 . . 4.790 2.462 2.234 2.582 . 0 0 "[ . 1 . 2]" 1
1182 1 30 ILE MG 1 50 ILE MD . . 4.790 2.294 2.220 2.390 . 0 0 "[ . 1 . 2]" 1
1183 1 30 ILE MG 1 50 ILE MG . . 5.440 3.396 3.254 3.524 . 0 0 "[ . 1 . 2]" 1
1184 1 30 ILE MG 1 52 ARG QH1 . . 5.930 4.821 4.381 6.365 0.435 4 0 "[ . 1 . 2]" 1
1185 1 30 ILE MG 1 58 ALA H . . 5.900 5.676 5.447 5.858 . 0 0 "[ . 1 . 2]" 1
1186 1 30 ILE MG 1 80 ILE MG . . 4.970 3.732 3.496 3.923 . 0 0 "[ . 1 . 2]" 1
1187 1 30 ILE MG 1 81 TYR QE . . 5.690 5.013 4.873 5.187 . 0 0 "[ . 1 . 2]" 1
1188 1 31 THR H 1 32 THR H . . 5.750 4.530 4.521 4.538 . 0 0 "[ . 1 . 2]" 1
1189 1 31 THR H 1 33 ASP H . . 6.000 4.661 4.558 4.865 . 0 0 "[ . 1 . 2]" 1
1190 1 31 THR H 1 34 VAL H . . 6.000 3.819 3.734 3.923 . 0 0 "[ . 1 . 2]" 1
1191 1 31 THR H 1 34 VAL MG1 . . 5.880 3.304 2.081 3.770 . 0 0 "[ . 1 . 2]" 1
1192 1 31 THR H 1 34 VAL MG2 . . 5.880 2.409 2.020 4.703 . 0 0 "[ . 1 . 2]" 1
1193 1 31 THR H 1 35 LEU H . . 6.000 4.178 4.011 4.282 . 0 0 "[ . 1 . 2]" 1
1194 1 31 THR H 1 35 LEU HG . . 5.800 3.626 3.423 3.781 . 0 0 "[ . 1 . 2]" 1
1195 1 31 THR H 1 35 LEU MD1 . . 5.880 4.133 3.943 4.283 . 0 0 "[ . 1 . 2]" 1
1196 1 31 THR H 1 35 LEU MD2 . . 6.000 4.630 4.505 4.740 . 0 0 "[ . 1 . 2]" 1
1197 1 31 THR H 1 50 ILE MD . . 5.620 3.504 3.330 3.618 . 0 0 "[ . 1 . 2]" 1
1198 1 31 THR H 1 80 ILE MG . . 5.850 4.698 4.437 4.903 . 0 0 "[ . 1 . 2]" 1
1199 1 31 THR H 1 81 TYR QE . . 5.880 5.755 5.590 5.849 . 0 0 "[ . 1 . 2]" 1
1200 1 31 THR HA 1 104 GLN HA . . 5.570 4.321 4.010 4.577 . 0 0 "[ . 1 . 2]" 1
1201 1 31 THR HA 1 104 GLN HB2 . . 5.640 3.782 3.599 4.024 . 0 0 "[ . 1 . 2]" 1
1202 1 31 THR HA 1 104 GLN HB3 . . 5.750 5.442 5.224 5.685 . 0 0 "[ . 1 . 2]" 1
1203 1 31 THR HA 1 104 GLN HG2 . . 5.910 5.973 5.932 6.011 0.101 18 0 "[ . 1 . 2]" 1
1204 1 31 THR HA 1 104 GLN HG3 . . 5.860 4.532 4.459 4.657 . 0 0 "[ . 1 . 2]" 1
1205 1 31 THR HA 1 32 THR H . . 5.030 2.392 2.353 2.425 . 0 0 "[ . 1 . 2]" 1
1206 1 31 THR HA 1 32 THR HA . . 5.740 4.276 4.248 4.318 . 0 0 "[ . 1 . 2]" 1
1207 1 31 THR HA 1 32 THR MG . . 5.530 3.549 3.472 3.779 . 0 0 "[ . 1 . 2]" 1
1208 1 31 THR HA 1 33 ASP H . . 5.590 4.062 3.945 4.159 . 0 0 "[ . 1 . 2]" 1
1209 1 31 THR HA 1 33 ASP QB . . 5.930 5.327 5.218 5.581 . 0 0 "[ . 1 . 2]" 1
1210 1 31 THR HA 1 34 VAL H . . 5.860 4.932 4.687 5.047 . 0 0 "[ . 1 . 2]" 1
1211 1 31 THR HA 1 34 VAL QG . . 5.790 4.155 3.947 4.686 . 0 0 "[ . 1 . 2]" 1
1212 1 31 THR HA 1 35 LEU MD1 . . 5.800 4.357 4.286 4.476 . 0 0 "[ . 1 . 2]" 1
1213 1 31 THR HA 1 50 ILE HB . . 5.890 5.046 4.860 5.231 . 0 0 "[ . 1 . 2]" 1
1214 1 31 THR HA 1 50 ILE HG12 . . 5.890 5.086 4.980 5.174 . 0 0 "[ . 1 . 2]" 1
1215 1 31 THR HA 1 50 ILE MD . . 5.180 2.296 2.173 2.392 . 0 0 "[ . 1 . 2]" 1
1216 1 31 THR HA 1 50 ILE MG . . 5.800 4.326 4.131 4.526 . 0 0 "[ . 1 . 2]" 1
1217 1 31 THR HA 1 52 ARG QH1 . . 5.930 6.062 5.938 7.563 1.633 4 1 "[ +. 1 . 2]" 1
1218 1 31 THR HB 1 104 GLN H . . 5.880 5.337 5.117 5.491 . 0 0 "[ . 1 . 2]" 1
1219 1 31 THR HB 1 104 GLN HA . . 5.330 2.938 2.597 3.173 . 0 0 "[ . 1 . 2]" 1
1220 1 31 THR HB 1 104 GLN HB2 . . 5.530 2.336 2.178 2.511 . 0 0 "[ . 1 . 2]" 1
1221 1 31 THR HB 1 104 GLN HB3 . . 5.530 3.801 3.590 4.030 . 0 0 "[ . 1 . 2]" 1
1222 1 31 THR HB 1 104 GLN HE21 . . 5.930 4.942 4.700 5.222 . 0 0 "[ . 1 . 2]" 1
1223 1 31 THR HB 1 104 GLN HG2 . . 5.870 5.187 5.071 5.294 . 0 0 "[ . 1 . 2]" 1
1224 1 31 THR HB 1 104 GLN HG3 . . 5.800 4.227 4.081 4.433 . 0 0 "[ . 1 . 2]" 1
1225 1 31 THR HB 1 105 ASP H . . 5.930 5.374 5.260 5.575 . 0 0 "[ . 1 . 2]" 1
1226 1 31 THR HB 1 32 THR H . . 5.050 2.603 2.500 2.684 . 0 0 "[ . 1 . 2]" 1
1227 1 31 THR HB 1 32 THR HA . . 5.860 5.069 5.032 5.107 . 0 0 "[ . 1 . 2]" 1
1228 1 31 THR HB 1 33 ASP H . . 5.170 3.158 2.995 3.276 . 0 0 "[ . 1 . 2]" 1
1229 1 31 THR HB 1 33 ASP QB . . 5.750 3.936 3.730 4.213 . 0 0 "[ . 1 . 2]" 1
1230 1 31 THR HB 1 34 VAL H . . 5.700 4.480 4.218 4.670 . 0 0 "[ . 1 . 2]" 1
1231 1 31 THR HB 1 50 ILE MD . . 5.610 4.009 3.935 4.116 . 0 0 "[ . 1 . 2]" 1
1232 1 31 THR MG 1 104 GLN H . . 5.880 5.741 5.501 5.910 0.030 4 0 "[ . 1 . 2]" 1
1233 1 31 THR MG 1 104 GLN HA . . 5.520 4.242 3.935 4.526 . 0 0 "[ . 1 . 2]" 1
1234 1 31 THR MG 1 104 GLN HB2 . . 5.310 2.748 2.540 2.922 . 0 0 "[ . 1 . 2]" 1
1235 1 31 THR MG 1 104 GLN HB3 . . 5.310 4.013 3.690 4.272 . 0 0 "[ . 1 . 2]" 1
1236 1 31 THR MG 1 104 GLN HE21 . . 5.660 4.248 4.022 4.480 . 0 0 "[ . 1 . 2]" 1
1237 1 31 THR MG 1 104 GLN HE22 . . 5.690 4.523 4.318 4.743 . 0 0 "[ . 1 . 2]" 1
1238 1 31 THR MG 1 104 GLN HG3 . . 5.460 4.006 3.892 4.221 . 0 0 "[ . 1 . 2]" 1
1239 1 31 THR MG 1 104 GLN QB . . 5.070 2.704 2.497 2.873 . 0 0 "[ . 1 . 2]" 1
1240 1 31 THR MG 1 32 THR H . . 5.620 4.056 3.993 4.095 . 0 0 "[ . 1 . 2]" 1
1241 1 31 THR MG 1 34 VAL H . . 5.730 4.149 3.958 4.291 . 0 0 "[ . 1 . 2]" 1
1242 1 32 THR H 1 104 GLN HA . . 5.310 3.200 2.934 3.471 . 0 0 "[ . 1 . 2]" 1
1243 1 32 THR H 1 104 GLN HB2 . . 5.630 4.120 3.759 4.313 . 0 0 "[ . 1 . 2]" 1
1244 1 32 THR H 1 104 GLN HB3 . . 5.630 5.258 4.917 5.503 . 0 0 "[ . 1 . 2]" 1
1245 1 32 THR H 1 104 GLN QB . . 5.430 3.979 3.647 4.166 . 0 0 "[ . 1 . 2]" 1
1246 1 32 THR H 1 105 ASP HA . . 5.790 3.723 3.310 4.080 . 0 0 "[ . 1 . 2]" 1
1247 1 32 THR H 1 107 TRP HB2 . . 5.830 5.228 5.109 5.322 . 0 0 "[ . 1 . 2]" 1
1248 1 32 THR H 1 107 TRP HE3 . . 5.840 5.861 5.679 5.936 0.096 10 0 "[ . 1 . 2]" 1
1249 1 32 THR H 1 33 ASP H . . 5.190 2.729 2.548 2.782 . 0 0 "[ . 1 . 2]" 1
1250 1 32 THR H 1 33 ASP HA . . 5.930 5.271 5.133 5.355 . 0 0 "[ . 1 . 2]" 1
1251 1 32 THR H 1 33 ASP QB . . 5.780 4.423 4.272 4.788 . 0 0 "[ . 1 . 2]" 1
1252 1 32 THR H 1 34 VAL H . . 5.830 4.648 4.328 4.761 . 0 0 "[ . 1 . 2]" 1
1253 1 32 THR H 1 35 LEU H . . 5.930 5.032 4.832 5.116 . 0 0 "[ . 1 . 2]" 1
1254 1 32 THR H 1 35 LEU MD1 . . 5.760 4.352 4.248 4.535 . 0 0 "[ . 1 . 2]" 1
1255 1 32 THR H 1 48 ILE HB . . 5.930 5.962 5.898 6.010 0.080 12 0 "[ . 1 . 2]" 1
1256 1 32 THR H 1 50 ILE HG12 . . 5.930 5.429 5.283 5.687 . 0 0 "[ . 1 . 2]" 1
1257 1 32 THR H 1 50 ILE HG13 . . 5.650 4.478 4.313 4.772 . 0 0 "[ . 1 . 2]" 1
1258 1 32 THR H 1 50 ILE MD . . 5.200 2.848 2.698 3.044 . 0 0 "[ . 1 . 2]" 1
1259 1 32 THR HA 1 107 TRP HB2 . . 5.860 5.396 5.088 5.596 . 0 0 "[ . 1 . 2]" 1
1260 1 32 THR HA 1 33 ASP H . . 5.390 3.447 3.399 3.549 . 0 0 "[ . 1 . 2]" 1
1261 1 32 THR HA 1 33 ASP HA . . 5.830 4.738 4.711 4.782 . 0 0 "[ . 1 . 2]" 1
1262 1 32 THR HA 1 33 ASP QB . . 5.900 5.113 5.064 5.355 . 0 0 "[ . 1 . 2]" 1
1263 1 32 THR HA 1 34 VAL H . . 5.830 4.488 4.097 4.751 . 0 0 "[ . 1 . 2]" 1
1264 1 32 THR HA 1 34 VAL QG . . 5.780 4.496 4.293 5.247 . 0 0 "[ . 1 . 2]" 1
1265 1 32 THR HA 1 35 LEU H . . 5.600 3.414 3.142 3.647 . 0 0 "[ . 1 . 2]" 1
1266 1 32 THR HA 1 35 LEU HB2 . . 5.620 2.555 2.419 2.771 . 0 0 "[ . 1 . 2]" 1
1267 1 32 THR HA 1 35 LEU HB3 . . 5.880 4.202 4.085 4.408 . 0 0 "[ . 1 . 2]" 1
1268 1 32 THR HA 1 35 LEU HG . . 5.830 3.767 3.622 4.036 . 0 0 "[ . 1 . 2]" 1
1269 1 32 THR HA 1 35 LEU MD1 . . 5.520 2.632 2.523 2.777 . 0 0 "[ . 1 . 2]" 1
1270 1 32 THR HA 1 35 LEU MD2 . . 5.840 4.892 4.801 5.057 . 0 0 "[ . 1 . 2]" 1
1271 1 32 THR HA 1 36 TYR H . . 5.630 3.855 3.685 4.002 . 0 0 "[ . 1 . 2]" 1
1272 1 32 THR HA 1 48 ILE HB . . 5.760 4.045 3.747 4.211 . 0 0 "[ . 1 . 2]" 1
1273 1 32 THR HA 1 48 ILE HG13 . . 5.930 5.697 5.480 5.841 . 0 0 "[ . 1 . 2]" 1
1274 1 32 THR HA 1 48 ILE MD . . 5.430 3.341 3.209 3.488 . 0 0 "[ . 1 . 2]" 1
1275 1 32 THR HA 1 48 ILE MG . . 5.110 2.342 2.232 2.455 . 0 0 "[ . 1 . 2]" 1
1276 1 32 THR HA 1 49 VAL HA . . 5.930 5.899 5.634 6.074 0.144 7 0 "[ . 1 . 2]" 1
1277 1 32 THR HA 1 50 ILE HG12 . . 5.930 4.742 4.611 4.940 . 0 0 "[ . 1 . 2]" 1
1278 1 32 THR HA 1 50 ILE HG13 . . 5.930 4.202 4.015 4.346 . 0 0 "[ . 1 . 2]" 1
1279 1 32 THR HA 1 50 ILE MD . . 5.290 2.975 2.746 3.144 . 0 0 "[ . 1 . 2]" 1
1280 1 32 THR HA 1 58 ALA MB . . 5.840 4.962 4.831 5.190 . 0 0 "[ . 1 . 2]" 1
1281 1 32 THR HA 1 60 VAL QG . . 5.920 5.316 5.209 5.522 . 0 0 "[ . 1 . 2]" 1
1282 1 32 THR HB 1 106 THR H . . 5.930 5.617 5.348 5.898 . 0 0 "[ . 1 . 2]" 1
1283 1 32 THR HB 1 106 THR HA . . 5.920 4.721 4.311 5.075 . 0 0 "[ . 1 . 2]" 1
1284 1 32 THR HB 1 107 TRP H . . 5.770 4.586 4.278 4.863 . 0 0 "[ . 1 . 2]" 1
1285 1 32 THR HB 1 107 TRP HB2 . . 5.510 3.263 2.699 3.647 . 0 0 "[ . 1 . 2]" 1
1286 1 32 THR HB 1 107 TRP HB3 . . 5.520 3.092 2.791 3.258 . 0 0 "[ . 1 . 2]" 1
1287 1 32 THR HB 1 107 TRP HE3 . . 5.690 5.185 4.383 5.681 . 0 0 "[ . 1 . 2]" 1
1288 1 32 THR HB 1 36 TYR H . . 5.890 4.826 4.648 5.003 . 0 0 "[ . 1 . 2]" 1
1289 1 32 THR HB 1 36 TYR HB2 . . 5.830 4.583 4.433 4.743 . 0 0 "[ . 1 . 2]" 1
1290 1 32 THR HB 1 36 TYR HB3 . . 5.900 5.108 4.890 5.307 . 0 0 "[ . 1 . 2]" 1
1291 1 32 THR HB 1 48 ILE H . . 5.820 5.065 4.835 5.617 . 0 0 "[ . 1 . 2]" 1
1292 1 32 THR HB 1 48 ILE HB . . 5.410 2.570 2.359 3.219 . 0 0 "[ . 1 . 2]" 1
1293 1 32 THR HB 1 48 ILE HG12 . . 5.910 5.119 4.901 5.754 . 0 0 "[ . 1 . 2]" 1
1294 1 32 THR HB 1 48 ILE MD . . 5.490 3.110 2.960 3.449 . 0 0 "[ . 1 . 2]" 1
1295 1 32 THR HB 1 48 ILE MG . . 5.310 2.502 2.233 3.394 . 0 0 "[ . 1 . 2]" 1
1296 1 32 THR MG 1 103 ASP H . . 5.620 4.160 3.943 4.334 . 0 0 "[ . 1 . 2]" 1
1297 1 32 THR MG 1 104 GLN HA . . 5.490 3.389 3.114 3.652 . 0 0 "[ . 1 . 2]" 1
1298 1 32 THR MG 1 104 GLN QB . . 5.790 4.453 4.287 4.635 . 0 0 "[ . 1 . 2]" 1
1299 1 32 THR MG 1 105 ASP H . . 5.570 3.528 3.317 3.657 . 0 0 "[ . 1 . 2]" 1
1300 1 32 THR MG 1 105 ASP HA . . 5.460 2.768 2.455 3.178 . 0 0 "[ . 1 . 2]" 1
1301 1 32 THR MG 1 105 ASP HB2 . . 5.900 4.680 4.584 4.795 . 0 0 "[ . 1 . 2]" 1
1302 1 32 THR MG 1 106 THR H . . 5.320 2.925 2.802 3.117 . 0 0 "[ . 1 . 2]" 1
1303 1 32 THR MG 1 106 THR HA . . 5.340 2.506 2.202 2.865 . 0 0 "[ . 1 . 2]" 1
1304 1 32 THR MG 1 106 THR HB . . 5.820 4.425 4.145 4.751 . 0 0 "[ . 1 . 2]" 1
1305 1 32 THR MG 1 106 THR MG . . 5.690 3.931 3.779 4.167 . 0 0 "[ . 1 . 2]" 1
1306 1 32 THR MG 1 107 TRP H . . 5.370 3.183 2.938 3.475 . 0 0 "[ . 1 . 2]" 1
1307 1 32 THR MG 1 107 TRP HB2 . . 5.260 2.636 2.392 2.886 . 0 0 "[ . 1 . 2]" 1
1308 1 32 THR MG 1 107 TRP HB3 . . 5.350 3.259 3.060 3.431 . 0 0 "[ . 1 . 2]" 1
1309 1 32 THR MG 1 107 TRP HE3 . . 5.470 4.079 3.898 4.309 . 0 0 "[ . 1 . 2]" 1
1310 1 32 THR MG 1 33 ASP H . . 5.670 3.954 3.850 4.125 . 0 0 "[ . 1 . 2]" 1
1311 1 32 THR MG 1 35 LEU MD1 . . 5.580 3.506 3.385 3.668 . 0 0 "[ . 1 . 2]" 1
1312 1 32 THR MG 1 35 LEU MD2 . . 5.930 5.769 5.692 5.911 . 0 0 "[ . 1 . 2]" 1
1313 1 32 THR MG 1 48 ILE H . . 5.710 4.789 4.488 4.965 . 0 0 "[ . 1 . 2]" 1
1314 1 32 THR MG 1 48 ILE HB . . 5.310 3.321 2.666 3.559 . 0 0 "[ . 1 . 2]" 1
1315 1 32 THR MG 1 48 ILE MD . . 5.730 4.097 3.615 4.270 . 0 0 "[ . 1 . 2]" 1
1316 1 32 THR MG 1 48 ILE MG . . 5.080 2.355 2.136 2.496 . 0 0 "[ . 1 . 2]" 1
1317 1 32 THR MG 1 49 VAL H . . 5.810 4.436 4.211 4.640 . 0 0 "[ . 1 . 2]" 1
1318 1 32 THR MG 1 49 VAL HA . . 5.330 3.231 3.019 3.560 . 0 0 "[ . 1 . 2]" 1
1319 1 32 THR MG 1 49 VAL HB . . 5.910 5.213 4.920 5.914 0.004 7 0 "[ . 1 . 2]" 1
1320 1 32 THR MG 1 50 ILE H . . 5.700 4.165 4.000 4.347 . 0 0 "[ . 1 . 2]" 1
1321 1 32 THR MG 1 50 ILE HB . . 5.730 3.972 3.701 4.211 . 0 0 "[ . 1 . 2]" 1
1322 1 32 THR MG 1 50 ILE HG12 . . 5.640 3.791 3.581 4.183 . 0 0 "[ . 1 . 2]" 1
1323 1 32 THR MG 1 50 ILE HG13 . . 5.390 2.484 2.256 2.924 . 0 0 "[ . 1 . 2]" 1
1324 1 32 THR MG 1 50 ILE MD . . 5.160 2.514 2.349 2.747 . 0 0 "[ . 1 . 2]" 1
1325 1 32 THR MG 1 60 VAL QG . . 5.920 5.392 5.121 5.554 . 0 0 "[ . 1 . 2]" 1
1326 1 32 THR MG 1 97 LEU QD . . 5.920 5.763 5.656 5.868 . 0 0 "[ . 1 . 2]" 1
1327 1 33 ASP H 1 104 GLN HA . . 5.580 4.248 3.878 4.535 . 0 0 "[ . 1 . 2]" 1
1328 1 33 ASP H 1 104 GLN QB . . 5.900 4.871 4.374 5.106 . 0 0 "[ . 1 . 2]" 1
1329 1 33 ASP H 1 34 VAL H . . 5.100 2.569 2.367 2.675 . 0 0 "[ . 1 . 2]" 1
1330 1 33 ASP H 1 34 VAL MG1 . . 5.740 4.016 3.755 5.659 . 0 0 "[ . 1 . 2]" 1
1331 1 33 ASP H 1 34 VAL MG2 . . 5.740 4.205 3.863 5.785 0.045 8 0 "[ . 1 . 2]" 1
1332 1 33 ASP H 1 34 VAL QG . . 5.580 3.581 3.488 3.978 . 0 0 "[ . 1 . 2]" 1
1333 1 33 ASP H 1 35 LEU H . . 5.640 3.889 3.804 3.995 . 0 0 "[ . 1 . 2]" 1
1334 1 33 ASP H 1 35 LEU HB2 . . 5.930 4.995 4.908 5.114 . 0 0 "[ . 1 . 2]" 1
1335 1 33 ASP H 1 35 LEU HG . . 5.860 5.338 5.254 5.470 . 0 0 "[ . 1 . 2]" 1
1336 1 33 ASP H 1 35 LEU MD1 . . 5.860 5.205 5.106 5.441 . 0 0 "[ . 1 . 2]" 1
1337 1 33 ASP H 1 36 TYR H . . 5.760 4.516 4.421 4.597 . 0 0 "[ . 1 . 2]" 1
1338 1 33 ASP H 1 36 TYR HB3 . . 5.820 5.012 4.870 5.080 . 0 0 "[ . 1 . 2]" 1
1339 1 33 ASP H 1 50 ILE MD . . 5.730 4.661 4.563 4.784 . 0 0 "[ . 1 . 2]" 1
1340 1 33 ASP HA 1 34 VAL HA . . 5.840 4.693 4.650 4.810 . 0 0 "[ . 1 . 2]" 1
1341 1 33 ASP HA 1 34 VAL QG . . 5.920 4.514 4.431 5.033 . 0 0 "[ . 1 . 2]" 1
1342 1 33 ASP HA 1 35 LEU H . . 5.760 4.454 4.381 4.599 . 0 0 "[ . 1 . 2]" 1
1343 1 33 ASP HA 1 36 TYR H . . 5.420 3.475 3.413 3.516 . 0 0 "[ . 1 . 2]" 1
1344 1 33 ASP HA 1 36 TYR HA . . 5.910 5.517 5.386 5.586 . 0 0 "[ . 1 . 2]" 1
1345 1 33 ASP HA 1 36 TYR HB2 . . 5.540 4.089 3.898 4.160 . 0 0 "[ . 1 . 2]" 1
1346 1 33 ASP HA 1 36 TYR HB3 . . 5.320 2.698 2.536 2.780 . 0 0 "[ . 1 . 2]" 1
1347 1 33 ASP HA 1 36 TYR QD . . 5.590 3.802 3.641 3.923 . 0 0 "[ . 1 . 2]" 1
1348 1 33 ASP HA 1 36 TYR QR . . 5.520 3.754 3.598 3.870 . 0 0 "[ . 1 . 2]" 1
1349 1 33 ASP HA 1 37 THR H . . 5.580 4.264 4.211 4.356 . 0 0 "[ . 1 . 2]" 1
1350 1 33 ASP HA 1 37 THR HB . . 5.790 5.701 5.626 5.811 0.021 17 0 "[ . 1 . 2]" 1
1351 1 33 ASP HA 1 48 ILE MD . . 5.850 4.812 4.604 4.992 . 0 0 "[ . 1 . 2]" 1
1352 1 33 ASP QB 1 104 GLN QB . . 5.900 4.926 4.406 5.476 . 0 0 "[ . 1 . 2]" 1
1353 1 33 ASP QB 1 34 VAL H . . 5.150 2.571 2.504 2.726 . 0 0 "[ . 1 . 2]" 1
1354 1 33 ASP QB 1 34 VAL HA . . 5.590 4.271 3.967 4.395 . 0 0 "[ . 1 . 2]" 1
1355 1 33 ASP QB 1 34 VAL HB . . 5.920 5.286 3.862 5.589 . 0 0 "[ . 1 . 2]" 1
1356 1 33 ASP QB 1 34 VAL MG1 . . 5.800 3.286 2.929 5.177 . 0 0 "[ . 1 . 2]" 1
1357 1 33 ASP QB 1 34 VAL MG2 . . 5.800 4.266 2.965 4.922 . 0 0 "[ . 1 . 2]" 1
1358 1 33 ASP QB 1 34 VAL QG . . 5.320 3.011 2.885 4.036 . 0 0 "[ . 1 . 2]" 1
1359 1 33 ASP QB 1 35 LEU H . . 5.780 4.679 4.622 4.737 . 0 0 "[ . 1 . 2]" 1
1360 1 33 ASP QB 1 36 TYR H . . 5.850 4.944 4.860 4.988 . 0 0 "[ . 1 . 2]" 1
1361 1 33 ASP QB 1 36 TYR HB2 . . 5.930 5.925 5.823 5.970 0.040 13 0 "[ . 1 . 2]" 1
1362 1 33 ASP QB 1 36 TYR HB3 . . 5.750 4.718 4.589 4.785 . 0 0 "[ . 1 . 2]" 1
1363 1 33 ASP QB 1 36 TYR QR . . 5.870 5.118 4.768 5.253 . 0 0 "[ . 1 . 2]" 1
1364 1 33 ASP QB 1 37 THR H . . 5.900 5.382 4.963 5.447 . 0 0 "[ . 1 . 2]" 1
1365 1 33 ASP QB 1 37 THR HB . . 5.880 5.928 5.487 5.971 0.091 20 0 "[ . 1 . 2]" 1
1366 1 34 VAL H 1 35 LEU H . . 5.100 2.585 2.494 2.632 . 0 0 "[ . 1 . 2]" 1
1367 1 34 VAL H 1 35 LEU HG . . 5.650 4.327 4.184 4.424 . 0 0 "[ . 1 . 2]" 1
1368 1 34 VAL H 1 35 LEU MD1 . . 5.900 5.180 5.112 5.221 . 0 0 "[ . 1 . 2]" 1
1369 1 34 VAL H 1 36 TYR H . . 5.670 4.011 3.797 4.086 . 0 0 "[ . 1 . 2]" 1
1370 1 34 VAL H 1 36 TYR HB3 . . 5.880 5.152 4.934 5.233 . 0 0 "[ . 1 . 2]" 1
1371 1 34 VAL H 1 37 THR H . . 5.850 4.610 4.569 4.650 . 0 0 "[ . 1 . 2]" 1
1372 1 34 VAL H 1 80 ILE MG . . 5.850 5.184 5.010 5.725 . 0 0 "[ . 1 . 2]" 1
1373 1 34 VAL HA 1 35 LEU HA . . 5.840 4.755 4.743 4.778 . 0 0 "[ . 1 . 2]" 1
1374 1 34 VAL HA 1 35 LEU MD2 . . 5.900 5.495 5.400 5.599 . 0 0 "[ . 1 . 2]" 1
1375 1 34 VAL HA 1 36 TYR H . . 5.800 4.241 4.152 4.305 . 0 0 "[ . 1 . 2]" 1
1376 1 34 VAL HA 1 37 THR MG . . 5.100 3.705 3.647 3.890 . 0 0 "[ . 1 . 2]" 1
1377 1 34 VAL HA 1 38 ILE HG12 . . 5.900 5.058 5.011 5.194 . 0 0 "[ . 1 . 2]" 1
1378 1 34 VAL HA 1 38 ILE MG . . 5.690 4.216 4.139 4.396 . 0 0 "[ . 1 . 2]" 1
1379 1 34 VAL HA 1 80 ILE MG . . 5.710 4.293 4.171 4.627 . 0 0 "[ . 1 . 2]" 1
1380 1 34 VAL HB 1 35 LEU H . . 5.610 3.978 2.621 4.159 . 0 0 "[ . 1 . 2]" 1
1381 1 34 VAL HB 1 35 LEU HA . . 5.790 4.929 4.428 5.790 0.000 8 0 "[ . 1 . 2]" 1
1382 1 34 VAL HB 1 35 LEU HG . . 5.760 4.933 3.332 5.279 . 0 0 "[ . 1 . 2]" 1
1383 1 34 VAL HB 1 35 LEU MD2 . . 5.710 4.905 4.104 5.706 . 0 0 "[ . 1 . 2]" 1
1384 1 34 VAL HB 1 80 ILE MG . . 5.820 2.688 2.355 3.993 . 0 0 "[ . 1 . 2]" 1
1385 1 34 VAL MG1 1 35 LEU H . . 5.610 3.683 2.394 3.877 . 0 0 "[ . 1 . 2]" 1
1386 1 34 VAL MG1 1 80 ILE MG . . 5.460 3.053 1.874 3.319 . 0 0 "[ . 1 . 2]" 1
1387 1 34 VAL MG1 1 81 TYR QD . . 5.830 5.485 4.655 5.661 . 0 0 "[ . 1 . 2]" 1
1388 1 34 VAL MG1 1 81 TYR QE . . 5.520 4.359 3.901 4.573 . 0 0 "[ . 1 . 2]" 1
1389 1 34 VAL MG2 1 35 LEU H . . 5.610 2.613 2.355 4.002 . 0 0 "[ . 1 . 2]" 1
1390 1 34 VAL MG2 1 80 ILE MG . . 5.460 2.243 1.998 3.609 . 0 0 "[ . 1 . 2]" 1
1391 1 34 VAL MG2 1 81 TYR QD . . 5.830 5.099 4.956 5.869 0.039 11 0 "[ . 1 . 2]" 1
1392 1 34 VAL MG2 1 81 TYR QE . . 5.520 4.126 3.966 4.630 . 0 0 "[ . 1 . 2]" 1
1393 1 34 VAL QG 1 35 LEU H . . 5.100 2.442 2.332 3.229 . 0 0 "[ . 1 . 2]" 1
1394 1 34 VAL QG 1 35 LEU HA . . 5.430 3.284 3.214 3.481 . 0 0 "[ . 1 . 2]" 1
1395 1 34 VAL QG 1 35 LEU HG . . 5.620 2.616 2.447 3.656 . 0 0 "[ . 1 . 2]" 1
1396 1 34 VAL QG 1 35 LEU MD1 . . 5.580 3.787 3.654 4.606 . 0 0 "[ . 1 . 2]" 1
1397 1 34 VAL QG 1 35 LEU MD2 . . 5.000 2.905 2.709 3.267 . 0 0 "[ . 1 . 2]" 1
1398 1 34 VAL QG 1 36 TYR H . . 5.720 4.247 4.181 4.555 . 0 0 "[ . 1 . 2]" 1
1399 1 34 VAL QG 1 38 ILE HG12 . . 5.800 4.289 3.872 4.458 . 0 0 "[ . 1 . 2]" 1
1400 1 34 VAL QG 1 50 ILE MD . . 5.540 4.197 4.041 4.960 . 0 0 "[ . 1 . 2]" 1
1401 1 34 VAL QG 1 80 ILE HA . . 5.830 4.585 3.954 4.729 . 0 0 "[ . 1 . 2]" 1
1402 1 34 VAL QG 1 80 ILE HB . . 5.860 4.104 3.980 4.211 . 0 0 "[ . 1 . 2]" 1
1403 1 34 VAL QG 1 80 ILE HG12 . . 5.640 3.516 3.388 3.685 . 0 0 "[ . 1 . 2]" 1
1404 1 34 VAL QG 1 80 ILE MG . . 4.920 2.044 1.868 2.117 . 0 0 "[ . 1 . 2]" 1
1405 1 34 VAL QG 1 81 TYR QD . . 5.660 4.654 4.486 4.769 . 0 0 "[ . 1 . 2]" 1
1406 1 35 LEU H 1 35 LEU HG . . 5.070 2.322 2.267 2.383 . 0 0 "[ . 1 . 2]" 1
1407 1 35 LEU H 1 35 LEU MD1 . . 5.390 3.540 3.520 3.560 . 0 0 "[ . 1 . 2]" 1
1408 1 35 LEU H 1 35 LEU MD2 . . 5.340 3.504 3.436 3.585 . 0 0 "[ . 1 . 2]" 1
1409 1 35 LEU H 1 36 TYR H . . 5.210 2.554 2.525 2.601 . 0 0 "[ . 1 . 2]" 1
1410 1 35 LEU H 1 36 TYR HA . . 6.000 5.182 5.158 5.212 . 0 0 "[ . 1 . 2]" 1
1411 1 35 LEU H 1 36 TYR HB2 . . 5.890 5.247 5.224 5.270 . 0 0 "[ . 1 . 2]" 1
1412 1 35 LEU H 1 36 TYR HB3 . . 5.780 4.633 4.589 4.700 . 0 0 "[ . 1 . 2]" 1
1413 1 35 LEU H 1 37 THR H . . 5.630 3.915 3.863 4.008 . 0 0 "[ . 1 . 2]" 1
1414 1 35 LEU H 1 37 THR HB . . 5.930 4.933 4.873 5.060 . 0 0 "[ . 1 . 2]" 1
1415 1 35 LEU H 1 38 ILE H . . 5.850 4.962 4.920 5.009 . 0 0 "[ . 1 . 2]" 1
1416 1 35 LEU H 1 38 ILE HG12 . . 5.820 4.671 4.642 4.703 . 0 0 "[ . 1 . 2]" 1
1417 1 35 LEU H 1 38 ILE MD . . 5.920 5.057 4.985 5.108 . 0 0 "[ . 1 . 2]" 1
1418 1 35 LEU H 1 48 ILE MD . . 5.730 4.278 4.151 4.364 . 0 0 "[ . 1 . 2]" 1
1419 1 35 LEU H 1 48 ILE MG . . 5.740 4.493 4.315 4.614 . 0 0 "[ . 1 . 2]" 1
1420 1 35 LEU H 1 80 ILE MG . . 5.740 4.932 4.792 5.253 . 0 0 "[ . 1 . 2]" 1
1421 1 35 LEU HA 1 36 TYR HA . . 5.910 4.704 4.693 4.720 . 0 0 "[ . 1 . 2]" 1
1422 1 35 LEU HA 1 37 THR H . . 5.700 4.180 4.104 4.227 . 0 0 "[ . 1 . 2]" 1
1423 1 35 LEU HA 1 37 THR MG . . 6.000 5.918 5.853 5.991 . 0 0 "[ . 1 . 2]" 1
1424 1 35 LEU HA 1 38 ILE H . . 5.490 3.512 3.420 3.563 . 0 0 "[ . 1 . 2]" 1
1425 1 35 LEU HA 1 38 ILE HG12 . . 5.360 2.232 2.131 2.284 . 0 0 "[ . 1 . 2]" 1
1426 1 35 LEU HA 1 38 ILE HG13 . . 5.430 3.377 3.250 3.436 . 0 0 "[ . 1 . 2]" 1
1427 1 35 LEU HA 1 38 ILE MD . . 5.340 2.749 2.689 2.796 . 0 0 "[ . 1 . 2]" 1
1428 1 35 LEU HA 1 38 ILE MG . . 5.620 3.865 3.789 3.905 . 0 0 "[ . 1 . 2]" 1
1429 1 35 LEU HA 1 39 CYS H . . 5.720 4.263 4.179 4.310 . 0 0 "[ . 1 . 2]" 1
1430 1 35 LEU HA 1 48 ILE MD . . 5.780 4.331 4.161 4.445 . 0 0 "[ . 1 . 2]" 1
1431 1 35 LEU HA 1 60 VAL QG . . 5.900 4.767 4.678 4.891 . 0 0 "[ . 1 . 2]" 1
1432 1 35 LEU HA 1 80 ILE MG . . 5.730 4.648 4.549 4.789 . 0 0 "[ . 1 . 2]" 1
1433 1 35 LEU HA 1 87 LEU MD2 . . 5.680 5.340 5.059 5.516 . 0 0 "[ . 1 . 2]" 1
1434 1 35 LEU HB2 1 36 TYR H . . 5.350 2.767 2.719 2.866 . 0 0 "[ . 1 . 2]" 1
1435 1 35 LEU HB2 1 36 TYR HA . . 5.850 4.498 4.464 4.529 . 0 0 "[ . 1 . 2]" 1
1436 1 35 LEU HB2 1 37 THR H . . 5.890 5.013 4.979 5.088 . 0 0 "[ . 1 . 2]" 1
1437 1 35 LEU HB2 1 38 ILE HG13 . . 5.930 5.895 5.720 5.971 0.041 4 0 "[ . 1 . 2]" 1
1438 1 35 LEU HB2 1 48 ILE MD . . 5.390 2.540 2.424 2.654 . 0 0 "[ . 1 . 2]" 1
1439 1 35 LEU HB2 1 48 ILE MG . . 5.400 2.594 2.383 2.759 . 0 0 "[ . 1 . 2]" 1
1440 1 35 LEU HB2 1 60 VAL QG . . 5.790 4.117 3.981 4.298 . 0 0 "[ . 1 . 2]" 1
1441 1 35 LEU HB3 1 36 TYR H . . 5.670 3.774 3.735 3.842 . 0 0 "[ . 1 . 2]" 1
1442 1 35 LEU HB3 1 36 TYR HA . . 5.920 4.534 4.487 4.577 . 0 0 "[ . 1 . 2]" 1
1443 1 35 LEU HB3 1 38 ILE HG12 . . 5.700 4.336 4.210 4.403 . 0 0 "[ . 1 . 2]" 1
1444 1 35 LEU HB3 1 39 CYS QB . . 5.900 4.489 4.412 4.576 . 0 0 "[ . 1 . 2]" 1
1445 1 35 LEU HB3 1 48 ILE MD . . 5.590 2.661 2.490 2.811 . 0 0 "[ . 1 . 2]" 1
1446 1 35 LEU HB3 1 48 ILE MG . . 5.540 3.193 2.911 3.354 . 0 0 "[ . 1 . 2]" 1
1447 1 35 LEU HB3 1 58 ALA MB . . 5.720 4.142 4.098 4.213 . 0 0 "[ . 1 . 2]" 1
1448 1 35 LEU HB3 1 60 VAL QG . . 5.640 3.172 3.064 3.292 . 0 0 "[ . 1 . 2]" 1
1449 1 35 LEU HG 1 36 TYR H . . 5.580 4.428 4.379 4.479 . 0 0 "[ . 1 . 2]" 1
1450 1 35 LEU MD1 1 36 TYR H . . 5.720 4.604 4.562 4.700 . 0 0 "[ . 1 . 2]" 1
1451 1 35 LEU MD1 1 48 ILE MD . . 5.480 3.427 3.305 3.544 . 0 0 "[ . 1 . 2]" 1
1452 1 35 LEU MD1 1 48 ILE MG . . 5.060 2.466 2.343 2.611 . 0 0 "[ . 1 . 2]" 1
1453 1 35 LEU MD1 1 49 VAL H . . 5.830 4.624 4.330 4.875 . 0 0 "[ . 1 . 2]" 1
1454 1 35 LEU MD1 1 50 ILE H . . 5.930 5.617 5.469 5.811 . 0 0 "[ . 1 . 2]" 1
1455 1 35 LEU MD1 1 50 ILE HA . . 5.790 4.433 4.314 4.580 . 0 0 "[ . 1 . 2]" 1
1456 1 35 LEU MD1 1 50 ILE HB . . 5.840 4.891 4.804 5.000 . 0 0 "[ . 1 . 2]" 1
1457 1 35 LEU MD1 1 50 ILE HG12 . . 5.560 2.607 2.496 2.759 . 0 0 "[ . 1 . 2]" 1
1458 1 35 LEU MD1 1 50 ILE HG13 . . 5.490 3.312 3.149 3.435 . 0 0 "[ . 1 . 2]" 1
1459 1 35 LEU MD1 1 50 ILE MD . . 5.100 2.235 2.160 2.324 . 0 0 "[ . 1 . 2]" 1
1460 1 35 LEU MD1 1 50 ILE MG . . 5.480 3.681 3.563 3.799 . 0 0 "[ . 1 . 2]" 1
1461 1 35 LEU MD1 1 58 ALA H . . 5.800 4.839 4.690 5.027 . 0 0 "[ . 1 . 2]" 1
1462 1 35 LEU MD1 1 58 ALA HA . . 5.690 4.110 4.038 4.182 . 0 0 "[ . 1 . 2]" 1
1463 1 35 LEU MD1 1 58 ALA MB . . 4.860 1.951 1.905 1.998 . 0 0 "[ . 1 . 2]" 1
1464 1 35 LEU MD1 1 59 MET H . . 5.710 4.022 3.910 4.218 . 0 0 "[ . 1 . 2]" 1
1465 1 35 LEU MD1 1 60 VAL QG . . 5.430 3.353 3.221 3.480 . 0 0 "[ . 1 . 2]" 1
1466 1 35 LEU MD1 1 80 ILE HG12 . . 5.880 5.900 5.848 5.946 0.066 11 0 "[ . 1 . 2]" 1
1467 1 35 LEU MD2 1 36 TYR H . . 5.820 4.771 4.755 4.789 . 0 0 "[ . 1 . 2]" 1
1468 1 35 LEU MD2 1 38 ILE HG13 . . 5.810 4.091 3.897 4.174 . 0 0 "[ . 1 . 2]" 1
1469 1 35 LEU MD2 1 38 ILE MD . . 5.370 2.498 2.335 2.578 . 0 0 "[ . 1 . 2]" 1
1470 1 35 LEU MD2 1 50 ILE MD . . 5.480 4.201 4.124 4.282 . 0 0 "[ . 1 . 2]" 1
1471 1 35 LEU MD2 1 58 ALA H . . 5.830 5.491 5.342 5.684 . 0 0 "[ . 1 . 2]" 1
1472 1 35 LEU MD2 1 58 ALA HA . . 5.920 5.724 5.613 5.882 . 0 0 "[ . 1 . 2]" 1
1473 1 35 LEU MD2 1 58 ALA MB . . 5.020 3.038 2.930 3.182 . 0 0 "[ . 1 . 2]" 1
1474 1 35 LEU MD2 1 80 ILE HG13 . . 5.850 4.157 4.094 4.316 . 0 0 "[ . 1 . 2]" 1
1475 1 35 LEU MD2 1 80 ILE MD . . 5.050 2.276 2.195 2.470 . 0 0 "[ . 1 . 2]" 1
1476 1 35 LEU MD2 1 80 ILE MG . . 5.210 3.860 3.723 3.937 . 0 0 "[ . 1 . 2]" 1
1477 1 35 LEU MD2 1 85 CYS HB3 . . 5.920 5.562 5.475 5.721 . 0 0 "[ . 1 . 2]" 1
1478 1 35 LEU MD2 1 87 LEU HG . . 5.930 5.163 5.093 5.370 . 0 0 "[ . 1 . 2]" 1
1479 1 35 LEU MD2 1 87 LEU MD2 . . 5.070 3.055 2.938 3.195 . 0 0 "[ . 1 . 2]" 1
1480 1 36 TYR H 1 36 TYR QD . . 5.660 4.086 4.071 4.101 . 0 0 "[ . 1 . 2]" 1
1481 1 36 TYR H 1 37 THR H . . 5.180 2.596 2.584 2.612 . 0 0 "[ . 1 . 2]" 1
1482 1 36 TYR H 1 37 THR HB . . 5.830 4.612 4.585 4.654 . 0 0 "[ . 1 . 2]" 1
1483 1 36 TYR H 1 37 THR MG . . 5.790 5.790 5.776 5.804 0.014 17 0 "[ . 1 . 2]" 1
1484 1 36 TYR H 1 38 ILE H . . 5.690 4.209 4.185 4.231 . 0 0 "[ . 1 . 2]" 1
1485 1 36 TYR H 1 39 CYS H . . 5.800 4.623 4.582 4.663 . 0 0 "[ . 1 . 2]" 1
1486 1 36 TYR H 1 48 ILE HB . . 5.930 5.682 5.462 5.828 . 0 0 "[ . 1 . 2]" 1
1487 1 36 TYR H 1 48 ILE MD . . 5.290 3.027 2.920 3.123 . 0 0 "[ . 1 . 2]" 1
1488 1 36 TYR H 1 48 ILE MG . . 5.580 4.198 4.054 4.295 . 0 0 "[ . 1 . 2]" 1
1489 1 36 TYR HA 1 36 TYR QE . . 5.830 4.882 4.863 4.905 . 0 0 "[ . 1 . 2]" 1
1490 1 36 TYR HA 1 37 THR HA . . 5.870 4.808 4.790 4.824 . 0 0 "[ . 1 . 2]" 1
1491 1 36 TYR HA 1 38 ILE H . . 5.680 4.076 4.030 4.111 . 0 0 "[ . 1 . 2]" 1
1492 1 36 TYR HA 1 38 ILE HG13 . . 5.890 5.097 5.016 5.178 . 0 0 "[ . 1 . 2]" 1
1493 1 36 TYR HA 1 39 CYS H . . 5.440 2.980 2.938 3.025 . 0 0 "[ . 1 . 2]" 1
1494 1 36 TYR HA 1 39 CYS HA . . 5.870 5.098 5.045 5.167 . 0 0 "[ . 1 . 2]" 1
1495 1 36 TYR HA 1 39 CYS HB2 . . 5.810 2.395 2.327 2.487 . 0 0 "[ . 1 . 2]" 1
1496 1 36 TYR HA 1 39 CYS HB3 . . 5.810 4.076 4.009 4.170 . 0 0 "[ . 1 . 2]" 1
1497 1 36 TYR HA 1 39 CYS QB . . 5.650 2.379 2.313 2.469 . 0 0 "[ . 1 . 2]" 1
1498 1 36 TYR HA 1 40 ASN H . . 5.440 3.409 3.351 3.464 . 0 0 "[ . 1 . 2]" 1
1499 1 36 TYR HA 1 40 ASN HA . . 5.900 5.054 5.000 5.120 . 0 0 "[ . 1 . 2]" 1
1500 1 36 TYR HA 1 40 ASN HB3 . . 5.770 4.940 4.778 4.990 . 0 0 "[ . 1 . 2]" 1
1501 1 36 TYR HA 1 45 VAL HB . . 5.930 4.652 4.477 4.937 . 0 0 "[ . 1 . 2]" 1
1502 1 36 TYR HA 1 45 VAL MG1 . . 5.490 3.650 3.120 3.811 . 0 0 "[ . 1 . 2]" 1
1503 1 36 TYR HA 1 45 VAL MG2 . . 5.490 3.078 2.935 3.672 . 0 0 "[ . 1 . 2]" 1
1504 1 36 TYR HA 1 45 VAL QG . . 5.280 2.910 2.818 3.021 . 0 0 "[ . 1 . 2]" 1
1505 1 36 TYR HA 1 48 ILE MD . . 5.290 2.569 2.421 2.696 . 0 0 "[ . 1 . 2]" 1
1506 1 36 TYR HA 1 48 ILE MG . . 5.880 4.987 4.805 5.117 . 0 0 "[ . 1 . 2]" 1
1507 1 36 TYR HA 1 60 VAL MG1 . . 5.930 4.707 4.578 4.903 . 0 0 "[ . 1 . 2]" 1
1508 1 36 TYR HA 1 60 VAL MG2 . . 5.930 4.994 4.893 5.191 . 0 0 "[ . 1 . 2]" 1
1509 1 36 TYR HB2 1 37 THR H . . 5.630 4.274 4.249 4.302 . 0 0 "[ . 1 . 2]" 1
1510 1 36 TYR HB2 1 45 VAL MG1 . . 5.850 3.538 3.421 3.781 . 0 0 "[ . 1 . 2]" 1
1511 1 36 TYR HB2 1 45 VAL MG2 . . 5.850 4.104 3.980 4.243 . 0 0 "[ . 1 . 2]" 1
1512 1 36 TYR HB2 1 45 VAL QG . . 5.660 3.340 3.255 3.534 . 0 0 "[ . 1 . 2]" 1
1513 1 36 TYR HB2 1 48 ILE HB . . 5.760 4.602 4.441 4.755 . 0 0 "[ . 1 . 2]" 1
1514 1 36 TYR HB2 1 48 ILE MD . . 5.370 2.151 2.038 2.220 . 0 0 "[ . 1 . 2]" 1
1515 1 36 TYR HB2 1 48 ILE MG . . 5.790 4.372 4.314 4.460 . 0 0 "[ . 1 . 2]" 1
1516 1 36 TYR HB3 1 37 THR H . . 5.160 3.110 3.065 3.148 . 0 0 "[ . 1 . 2]" 1
1517 1 36 TYR HB3 1 37 THR HA . . 5.750 4.688 4.655 4.714 . 0 0 "[ . 1 . 2]" 1
1518 1 36 TYR HB3 1 37 THR HB . . 5.710 5.240 5.193 5.299 . 0 0 "[ . 1 . 2]" 1
1519 1 36 TYR HB3 1 37 THR MG . . 5.920 5.910 5.881 5.939 0.019 6 0 "[ . 1 . 2]" 1
1520 1 36 TYR HB3 1 40 ASN HB3 . . 5.930 6.016 5.918 6.040 0.110 15 0 "[ . 1 . 2]" 1
1521 1 36 TYR HB3 1 45 VAL MG1 . . 5.930 5.038 4.774 5.283 . 0 0 "[ . 1 . 2]" 1
1522 1 36 TYR HB3 1 45 VAL MG2 . . 5.930 5.263 5.114 5.599 . 0 0 "[ . 1 . 2]" 1
1523 1 36 TYR HB3 1 45 VAL QG . . 5.770 4.578 4.493 4.750 . 0 0 "[ . 1 . 2]" 1
1524 1 36 TYR HB3 1 48 ILE MD . . 5.560 3.399 3.267 3.504 . 0 0 "[ . 1 . 2]" 1
1525 1 36 TYR QD 1 109 TYR QD . . 5.580 3.653 3.410 3.753 . 0 0 "[ . 1 . 2]" 1
1526 1 36 TYR QD 1 37 THR H . . 5.530 3.447 3.355 3.508 . 0 0 "[ . 1 . 2]" 1
1527 1 36 TYR QD 1 37 THR HA . . 5.610 3.311 3.185 3.422 . 0 0 "[ . 1 . 2]" 1
1528 1 36 TYR QD 1 37 THR HB . . 5.770 4.937 4.848 4.997 . 0 0 "[ . 1 . 2]" 1
1529 1 36 TYR QD 1 37 THR MG . . 5.910 4.907 4.814 4.988 . 0 0 "[ . 1 . 2]" 1
1530 1 36 TYR QD 1 38 ILE H . . 5.930 5.368 5.288 5.414 . 0 0 "[ . 1 . 2]" 1
1531 1 36 TYR QD 1 40 ASN HB2 . . 5.730 3.417 3.357 3.498 . 0 0 "[ . 1 . 2]" 1
1532 1 36 TYR QD 1 40 ASN HB3 . . 5.810 4.395 4.279 4.446 . 0 0 "[ . 1 . 2]" 1
1533 1 36 TYR QD 1 45 VAL H . . 6.000 4.483 4.272 5.195 . 0 0 "[ . 1 . 2]" 1
1534 1 36 TYR QD 1 45 VAL HB . . 5.430 2.540 2.310 4.617 . 0 0 "[ . 1 . 2]" 1
1535 1 36 TYR QD 1 45 VAL MG1 . . 5.390 2.596 2.080 2.941 . 0 0 "[ . 1 . 2]" 1
1536 1 36 TYR QD 1 45 VAL MG2 . . 5.390 2.930 2.772 3.352 . 0 0 "[ . 1 . 2]" 1
1537 1 36 TYR QD 1 45 VAL QG . . 5.140 2.421 2.061 2.699 . 0 0 "[ . 1 . 2]" 1
1538 1 36 TYR QD 1 48 ILE MD . . 5.390 3.153 2.911 3.299 . 0 0 "[ . 1 . 2]" 1
1539 1 36 TYR QD 1 60 VAL QG . . 5.870 4.891 4.753 5.212 . 0 0 "[ . 1 . 2]" 1
1540 1 36 TYR QE 1 109 TYR HA . . 6.000 5.961 5.705 6.029 0.029 16 0 "[ . 1 . 2]" 1
1541 1 36 TYR QE 1 109 TYR QD . . 5.560 3.826 3.689 3.873 . 0 0 "[ . 1 . 2]" 1
1542 1 36 TYR QE 1 37 THR H . . 6.000 5.508 5.445 5.553 . 0 0 "[ . 1 . 2]" 1
1543 1 36 TYR QE 1 37 THR HA . . 5.860 4.302 4.213 4.350 . 0 0 "[ . 1 . 2]" 1
1544 1 36 TYR QE 1 40 ASN H . . 5.910 5.040 4.976 5.113 . 0 0 "[ . 1 . 2]" 1
1545 1 36 TYR QE 1 40 ASN HA . . 5.840 4.253 4.058 4.556 . 0 0 "[ . 1 . 2]" 1
1546 1 36 TYR QE 1 40 ASN HB2 . . 5.640 3.147 3.082 3.257 . 0 0 "[ . 1 . 2]" 1
1547 1 36 TYR QE 1 40 ASN HB3 . . 5.640 4.115 4.005 4.167 . 0 0 "[ . 1 . 2]" 1
1548 1 36 TYR QE 1 40 ASN HD22 . . 5.920 4.332 4.195 4.458 . 0 0 "[ . 1 . 2]" 1
1549 1 36 TYR QE 1 44 PRO HA . . 5.900 4.894 4.623 5.481 . 0 0 "[ . 1 . 2]" 1
1550 1 36 TYR QE 1 45 VAL H . . 5.880 3.661 3.405 4.578 . 0 0 "[ . 1 . 2]" 1
1551 1 36 TYR QE 1 45 VAL HB . . 5.180 2.864 2.567 5.219 0.039 10 0 "[ . 1 . 2]" 1
1552 1 36 TYR QE 1 45 VAL MG1 . . 5.460 3.901 2.453 4.216 . 0 0 "[ . 1 . 2]" 1
1553 1 36 TYR QE 1 45 VAL MG2 . . 5.460 3.834 3.687 4.520 . 0 0 "[ . 1 . 2]" 1
1554 1 36 TYR QE 1 45 VAL QG . . 5.200 3.405 2.443 3.637 . 0 0 "[ . 1 . 2]" 1
1555 1 36 TYR QE 1 48 ILE MD . . 5.820 5.082 4.894 5.211 . 0 0 "[ . 1 . 2]" 1
1556 1 36 TYR QR 1 107 TRP HE1 . . 5.930 5.700 5.551 5.941 0.011 11 0 "[ . 1 . 2]" 1
1557 1 36 TYR QR 1 109 TYR H . . 5.880 5.779 5.534 5.890 0.010 12 0 "[ . 1 . 2]" 1
1558 1 36 TYR QR 1 109 TYR HA . . 6.000 5.465 5.221 5.561 . 0 0 "[ . 1 . 2]" 1
1559 1 36 TYR QR 1 109 TYR HB2 . . 5.710 4.181 3.888 4.328 . 0 0 "[ . 1 . 2]" 1
1560 1 36 TYR QR 1 109 TYR HB3 . . 5.840 3.889 3.540 4.049 . 0 0 "[ . 1 . 2]" 1
1561 1 36 TYR QR 1 37 THR H . . 5.740 3.413 3.325 3.471 . 0 0 "[ . 1 . 2]" 1
1562 1 36 TYR QR 1 37 THR HA . . 5.540 3.208 3.098 3.302 . 0 0 "[ . 1 . 2]" 1
1563 1 36 TYR QR 1 37 THR HB . . 5.730 4.812 4.730 4.865 . 0 0 "[ . 1 . 2]" 1
1564 1 36 TYR QR 1 39 CYS H . . 5.880 4.937 4.895 5.008 . 0 0 "[ . 1 . 2]" 1
1565 1 36 TYR QR 1 40 ASN H . . 5.660 4.157 4.108 4.212 . 0 0 "[ . 1 . 2]" 1
1566 1 36 TYR QR 1 40 ASN HA . . 5.720 3.922 3.769 4.175 . 0 0 "[ . 1 . 2]" 1
1567 1 36 TYR QR 1 40 ASN HB2 . . 5.610 2.907 2.851 2.991 . 0 0 "[ . 1 . 2]" 1
1568 1 36 TYR QR 1 40 ASN HB3 . . 5.580 3.776 3.676 3.821 . 0 0 "[ . 1 . 2]" 1
1569 1 36 TYR QR 1 40 ASN HD21 . . 5.690 3.711 3.474 3.863 . 0 0 "[ . 1 . 2]" 1
1570 1 36 TYR QR 1 40 ASN HD22 . . 5.870 4.230 4.102 4.345 . 0 0 "[ . 1 . 2]" 1
1571 1 36 TYR QR 1 44 PRO HA . . 5.880 4.736 4.487 5.265 . 0 0 "[ . 1 . 2]" 1
1572 1 36 TYR QR 1 45 VAL H . . 5.830 3.504 3.287 4.294 . 0 0 "[ . 1 . 2]" 1
1573 1 36 TYR QR 1 45 VAL HA . . 5.770 4.851 4.693 5.417 . 0 0 "[ . 1 . 2]" 1
1574 1 36 TYR QR 1 45 VAL HB . . 5.360 2.375 2.163 4.325 . 0 0 "[ . 1 . 2]" 1
1575 1 36 TYR QR 1 45 VAL MG1 . . 5.230 2.558 1.974 2.888 . 0 0 "[ . 1 . 2]" 1
1576 1 36 TYR QR 1 45 VAL MG2 . . 5.230 2.843 2.696 3.267 . 0 0 "[ . 1 . 2]" 1
1577 1 36 TYR QR 1 45 VAL QG . . 4.940 2.371 1.958 2.630 . 0 0 "[ . 1 . 2]" 1
1578 1 36 TYR QR 1 46 GLN H . . 5.880 5.486 5.367 5.604 . 0 0 "[ . 1 . 2]" 1
1579 1 36 TYR QR 1 48 ILE MD . . 5.300 3.124 2.890 3.265 . 0 0 "[ . 1 . 2]" 1
1580 1 36 TYR QR 1 48 ILE MG . . 5.850 5.446 5.398 5.536 . 0 0 "[ . 1 . 2]" 1
1581 1 36 TYR QR 1 60 VAL QG . . 5.820 4.720 4.598 5.011 . 0 0 "[ . 1 . 2]" 1
1582 1 37 THR H 1 38 ILE H . . 5.170 2.593 2.568 2.617 . 0 0 "[ . 1 . 2]" 1
1583 1 37 THR H 1 38 ILE HA . . 5.930 5.237 5.218 5.253 . 0 0 "[ . 1 . 2]" 1
1584 1 37 THR H 1 38 ILE HG12 . . 5.790 4.050 4.005 4.101 . 0 0 "[ . 1 . 2]" 1
1585 1 37 THR H 1 38 ILE HG13 . . 5.800 5.297 5.170 5.359 . 0 0 "[ . 1 . 2]" 1
1586 1 37 THR H 1 38 ILE MG . . 5.660 4.128 4.101 4.166 . 0 0 "[ . 1 . 2]" 1
1587 1 37 THR H 1 39 CYS H . . 5.550 3.881 3.859 3.938 . 0 0 "[ . 1 . 2]" 1
1588 1 37 THR H 1 40 ASN H . . 5.800 4.735 4.711 4.771 . 0 0 "[ . 1 . 2]" 1
1589 1 37 THR H 1 48 ILE MD . . 5.820 4.825 4.702 4.921 . 0 0 "[ . 1 . 2]" 1
1590 1 37 THR HA 1 38 ILE HA . . 5.800 4.635 4.613 4.648 . 0 0 "[ . 1 . 2]" 1
1591 1 37 THR HA 1 39 CYS H . . 5.700 4.465 4.411 4.557 . 0 0 "[ . 1 . 2]" 1
1592 1 37 THR HA 1 40 ASN H . . 5.590 4.012 3.952 4.106 . 0 0 "[ . 1 . 2]" 1
1593 1 37 THR HA 1 40 ASN HB2 . . 5.800 4.289 4.187 4.528 . 0 0 "[ . 1 . 2]" 1
1594 1 37 THR HA 1 40 ASN HB3 . . 5.850 3.523 3.432 3.620 . 0 0 "[ . 1 . 2]" 1
1595 1 37 THR HA 1 40 ASN HD21 . . 5.810 4.387 4.260 4.471 . 0 0 "[ . 1 . 2]" 1
1596 1 37 THR HA 1 41 PRO HD2 . . 5.720 4.667 4.492 4.800 . 0 0 "[ . 1 . 2]" 1
1597 1 37 THR HA 1 41 PRO HD3 . . 5.660 4.067 3.831 4.137 . 0 0 "[ . 1 . 2]" 1
1598 1 37 THR HA 1 41 PRO HG3 . . 5.910 5.482 5.101 5.595 . 0 0 "[ . 1 . 2]" 1
1599 1 37 THR HB 1 38 ILE MG . . 5.730 3.061 2.975 3.093 . 0 0 "[ . 1 . 2]" 1
1600 1 37 THR MG 1 38 ILE H . . 5.280 3.430 3.389 3.472 . 0 0 "[ . 1 . 2]" 1
1601 1 37 THR MG 1 38 ILE HA . . 5.400 3.474 3.437 3.509 . 0 0 "[ . 1 . 2]" 1
1602 1 37 THR MG 1 38 ILE HB . . 5.680 4.965 4.900 5.032 . 0 0 "[ . 1 . 2]" 1
1603 1 37 THR MG 1 38 ILE HG12 . . 5.360 4.765 4.726 4.821 . 0 0 "[ . 1 . 2]" 1
1604 1 37 THR MG 1 38 ILE HG13 . . 5.670 5.692 5.674 5.718 0.048 3 0 "[ . 1 . 2]" 1
1605 1 37 THR MG 1 38 ILE MD . . 5.730 5.144 5.081 5.245 . 0 0 "[ . 1 . 2]" 1
1606 1 37 THR MG 1 38 ILE MG . . 5.000 2.778 2.709 2.841 . 0 0 "[ . 1 . 2]" 1
1607 1 37 THR MG 1 39 CYS H . . 5.700 5.038 5.016 5.101 . 0 0 "[ . 1 . 2]" 1
1608 1 37 THR MG 1 41 PRO HD2 . . 5.880 5.082 4.968 5.198 . 0 0 "[ . 1 . 2]" 1
1609 1 38 ILE H 1 38 ILE HG12 . . 5.140 2.046 2.001 2.079 . 0 0 "[ . 1 . 2]" 1
1610 1 38 ILE H 1 38 ILE HG13 . . 5.290 3.051 2.959 3.096 . 0 0 "[ . 1 . 2]" 1
1611 1 38 ILE H 1 38 ILE MD . . 5.590 3.715 3.680 3.750 . 0 0 "[ . 1 . 2]" 1
1612 1 38 ILE H 1 39 CYS H . . 5.050 2.366 2.340 2.388 . 0 0 "[ . 1 . 2]" 1
1613 1 38 ILE H 1 39 CYS HA . . 5.850 5.023 5.002 5.042 . 0 0 "[ . 1 . 2]" 1
1614 1 38 ILE H 1 39 CYS QB . . 5.650 4.371 4.337 4.402 . 0 0 "[ . 1 . 2]" 1
1615 1 38 ILE H 1 40 ASN H . . 5.570 4.039 4.006 4.063 . 0 0 "[ . 1 . 2]" 1
1616 1 38 ILE H 1 41 PRO HD2 . . 5.690 4.542 4.369 4.605 . 0 0 "[ . 1 . 2]" 1
1617 1 38 ILE H 1 41 PRO HD3 . . 5.780 5.226 5.074 5.294 . 0 0 "[ . 1 . 2]" 1
1618 1 38 ILE H 1 45 VAL QG . . 5.920 5.616 5.555 5.711 . 0 0 "[ . 1 . 2]" 1
1619 1 38 ILE HA 1 39 CYS H . . 5.370 3.534 3.520 3.549 . 0 0 "[ . 1 . 2]" 1
1620 1 38 ILE HA 1 39 CYS HA . . 5.780 4.651 4.634 4.661 . 0 0 "[ . 1 . 2]" 1
1621 1 38 ILE HA 1 40 ASN H . . 5.770 4.390 4.332 4.446 . 0 0 "[ . 1 . 2]" 1
1622 1 38 ILE HA 1 41 PRO HD2 . . 5.560 3.291 3.196 3.379 . 0 0 "[ . 1 . 2]" 1
1623 1 38 ILE HA 1 41 PRO HD3 . . 5.660 3.978 3.872 4.039 . 0 0 "[ . 1 . 2]" 1
1624 1 38 ILE HA 1 41 PRO HG2 . . 5.720 3.637 3.344 3.772 . 0 0 "[ . 1 . 2]" 1
1625 1 38 ILE HA 1 41 PRO HG3 . . 5.460 3.251 3.054 3.297 . 0 0 "[ . 1 . 2]" 1
1626 1 38 ILE HA 1 75 LEU MD2 . . 5.610 3.667 3.608 3.760 . 0 0 "[ . 1 . 2]" 1
1627 1 38 ILE HB 1 39 CYS H . . 5.700 4.140 4.101 4.172 . 0 0 "[ . 1 . 2]" 1
1628 1 38 ILE HB 1 39 CYS HA . . 5.850 4.647 4.610 4.677 . 0 0 "[ . 1 . 2]" 1
1629 1 38 ILE HB 1 75 LEU MD1 . . 5.620 3.092 2.973 3.176 . 0 0 "[ . 1 . 2]" 1
1630 1 38 ILE HB 1 75 LEU MD2 . . 5.370 2.257 2.183 2.430 . 0 0 "[ . 1 . 2]" 1
1631 1 38 ILE HB 1 78 ALA MB . . 5.920 4.854 4.701 5.176 . 0 0 "[ . 1 . 2]" 1
1632 1 38 ILE HB 1 89 ILE MD . . 5.930 5.952 5.883 5.984 0.054 1 0 "[ . 1 . 2]" 1
1633 1 38 ILE HG12 1 39 CYS H . . 5.570 3.067 2.992 3.178 . 0 0 "[ . 1 . 2]" 1
1634 1 38 ILE HG12 1 39 CYS HA . . 5.930 5.015 4.958 5.106 . 0 0 "[ . 1 . 2]" 1
1635 1 38 ILE HG12 1 39 CYS QB . . 5.880 4.537 4.480 4.613 . 0 0 "[ . 1 . 2]" 1
1636 1 38 ILE HG12 1 75 LEU MD1 . . 5.660 4.051 3.932 4.305 . 0 0 "[ . 1 . 2]" 1
1637 1 38 ILE HG12 1 75 LEU MD2 . . 5.800 4.554 4.446 4.787 . 0 0 "[ . 1 . 2]" 1
1638 1 38 ILE HG12 1 80 ILE MG . . 5.730 4.737 4.679 4.801 . 0 0 "[ . 1 . 2]" 1
1639 1 38 ILE HG12 1 87 LEU MD1 . . 5.750 4.422 4.321 4.586 . 0 0 "[ . 1 . 2]" 1
1640 1 38 ILE HG12 1 87 LEU MD2 . . 5.830 5.780 5.456 5.845 0.015 8 0 "[ . 1 . 2]" 1
1641 1 38 ILE HG13 1 39 CYS H . . 5.340 2.732 2.666 2.789 . 0 0 "[ . 1 . 2]" 1
1642 1 38 ILE HG13 1 39 CYS HA . . 5.610 3.581 3.555 3.617 . 0 0 "[ . 1 . 2]" 1
1643 1 38 ILE HG13 1 39 CYS HB2 . . 5.860 4.068 3.990 4.132 . 0 0 "[ . 1 . 2]" 1
1644 1 38 ILE HG13 1 39 CYS HB3 . . 5.860 4.809 4.741 4.850 . 0 0 "[ . 1 . 2]" 1
1645 1 38 ILE HG13 1 39 CYS QB . . 5.700 3.861 3.796 3.915 . 0 0 "[ . 1 . 2]" 1
1646 1 38 ILE HG13 1 40 ASN H . . 5.790 5.008 4.953 5.048 . 0 0 "[ . 1 . 2]" 1
1647 1 38 ILE HG13 1 41 PRO HG2 . . 6.000 6.015 5.910 6.037 0.037 1 0 "[ . 1 . 2]" 1
1648 1 38 ILE HG13 1 60 VAL QG . . 5.920 4.831 4.738 4.977 . 0 0 "[ . 1 . 2]" 1
1649 1 38 ILE HG13 1 75 LEU MD2 . . 5.660 3.472 3.358 3.728 . 0 0 "[ . 1 . 2]" 1
1650 1 38 ILE HG13 1 80 ILE MG . . 5.930 5.994 5.976 6.018 0.088 9 0 "[ . 1 . 2]" 1
1651 1 38 ILE HG13 1 87 LEU MD2 . . 5.860 5.835 5.439 5.890 0.030 14 0 "[ . 1 . 2]" 1
1652 1 38 ILE MD 1 39 CYS H . . 5.640 4.264 4.210 4.299 . 0 0 "[ . 1 . 2]" 1
1653 1 38 ILE MD 1 39 CYS HA . . 5.680 4.881 4.795 4.910 . 0 0 "[ . 1 . 2]" 1
1654 1 38 ILE MD 1 39 CYS QB . . 5.900 4.909 4.847 4.954 . 0 0 "[ . 1 . 2]" 1
1655 1 38 ILE MD 1 71 ALA MB . . 5.880 5.864 5.790 5.895 0.015 17 0 "[ . 1 . 2]" 1
1656 1 38 ILE MD 1 75 LEU HA . . 5.710 4.543 4.468 4.797 . 0 0 "[ . 1 . 2]" 1
1657 1 38 ILE MD 1 75 LEU HB3 . . 5.450 3.008 2.928 3.175 . 0 0 "[ . 1 . 2]" 1
1658 1 38 ILE MD 1 75 LEU MD1 . . 4.790 2.747 2.602 2.879 . 0 0 "[ . 1 . 2]" 1
1659 1 38 ILE MD 1 75 LEU MD2 . . 5.100 2.729 2.543 2.926 . 0 0 "[ . 1 . 2]" 1
1660 1 38 ILE MD 1 78 ALA MB . . 5.580 3.907 3.767 4.140 . 0 0 "[ . 1 . 2]" 1
1661 1 38 ILE MD 1 80 ILE HA . . 5.570 3.572 3.488 3.682 . 0 0 "[ . 1 . 2]" 1
1662 1 38 ILE MD 1 89 ILE MD . . 5.310 4.069 3.965 4.123 . 0 0 "[ . 1 . 2]" 1
1663 1 38 ILE MG 1 39 CYS H . . 5.650 4.100 4.083 4.116 . 0 0 "[ . 1 . 2]" 1
1664 1 38 ILE MG 1 41 PRO HG2 . . 5.790 5.312 5.070 5.437 . 0 0 "[ . 1 . 2]" 1
1665 1 38 ILE MG 1 41 PRO HG3 . . 5.930 4.841 4.633 4.918 . 0 0 "[ . 1 . 2]" 1
1666 1 38 ILE MG 1 75 LEU HB3 . . 5.790 5.169 5.105 5.313 . 0 0 "[ . 1 . 2]" 1
1667 1 38 ILE MG 1 78 ALA MB . . 5.820 4.585 4.448 4.800 . 0 0 "[ . 1 . 2]" 1
1668 1 38 ILE MG 1 80 ILE HA . . 5.660 3.200 3.068 3.368 . 0 0 "[ . 1 . 2]" 1
1669 1 38 ILE MG 1 87 LEU MD2 . . 5.670 5.349 5.051 5.460 . 0 0 "[ . 1 . 2]" 1
1670 1 39 CYS H 1 40 ASN H . . 5.180 2.404 2.361 2.449 . 0 0 "[ . 1 . 2]" 1
1671 1 39 CYS H 1 40 ASN HA . . 6.000 4.995 4.951 5.055 . 0 0 "[ . 1 . 2]" 1
1672 1 39 CYS H 1 40 ASN HB2 . . 5.910 4.686 4.621 4.731 . 0 0 "[ . 1 . 2]" 1
1673 1 39 CYS H 1 40 ASN HB3 . . 5.760 4.560 4.514 4.622 . 0 0 "[ . 1 . 2]" 1
1674 1 39 CYS H 1 41 PRO HD2 . . 5.890 3.392 3.333 3.447 . 0 0 "[ . 1 . 2]" 1
1675 1 39 CYS H 1 41 PRO HD3 . . 5.940 4.648 4.542 4.746 . 0 0 "[ . 1 . 2]" 1
1676 1 39 CYS H 1 45 VAL QG . . 5.680 3.982 3.909 4.258 . 0 0 "[ . 1 . 2]" 1
1677 1 39 CYS H 1 60 VAL MG1 . . 5.930 5.330 5.225 5.468 . 0 0 "[ . 1 . 2]" 1
1678 1 39 CYS H 1 60 VAL MG2 . . 5.930 5.460 5.353 5.614 . 0 0 "[ . 1 . 2]" 1
1679 1 39 CYS H 1 62 PHE HZ . . 5.850 5.487 5.333 5.583 . 0 0 "[ . 1 . 2]" 1
1680 1 39 CYS H 1 75 LEU MD1 . . 5.600 3.894 3.804 4.015 . 0 0 "[ . 1 . 2]" 1
1681 1 39 CYS H 1 75 LEU MD2 . . 5.920 4.874 4.808 4.970 . 0 0 "[ . 1 . 2]" 1
1682 1 39 CYS HA 1 40 ASN HB3 . . 5.930 5.718 5.686 5.758 . 0 0 "[ . 1 . 2]" 1
1683 1 39 CYS HA 1 41 PRO HD2 . . 5.640 3.529 3.409 3.644 . 0 0 "[ . 1 . 2]" 1
1684 1 39 CYS HA 1 41 PRO HD3 . . 5.880 5.305 5.188 5.414 . 0 0 "[ . 1 . 2]" 1
1685 1 39 CYS HA 1 42 CYS H . . 5.540 3.496 3.405 3.551 . 0 0 "[ . 1 . 2]" 1
1686 1 39 CYS HA 1 42 CYS HB2 . . 5.860 2.794 2.631 2.985 . 0 0 "[ . 1 . 2]" 1
1687 1 39 CYS HA 1 42 CYS HB3 . . 5.860 4.399 4.245 4.596 . 0 0 "[ . 1 . 2]" 1
1688 1 39 CYS HA 1 43 GLY H . . 5.870 5.084 4.930 5.216 . 0 0 "[ . 1 . 2]" 1
1689 1 39 CYS HA 1 45 VAL QG . . 5.720 3.891 3.814 4.446 . 0 0 "[ . 1 . 2]" 1
1690 1 39 CYS HA 1 60 VAL QG . . 5.820 4.396 4.203 4.514 . 0 0 "[ . 1 . 2]" 1
1691 1 39 CYS HA 1 62 PHE HZ . . 5.590 3.169 2.979 3.304 . 0 0 "[ . 1 . 2]" 1
1692 1 39 CYS HA 1 62 PHE QE . . 5.570 4.226 4.066 4.373 . 0 0 "[ . 1 . 2]" 1
1693 1 39 CYS HA 1 71 ALA MB . . 5.610 3.735 3.645 3.845 . 0 0 "[ . 1 . 2]" 1
1694 1 39 CYS HA 1 75 LEU MD1 . . 5.170 2.195 2.163 2.247 . 0 0 "[ . 1 . 2]" 1
1695 1 39 CYS HA 1 75 LEU MD2 . . 5.690 3.872 3.819 3.942 . 0 0 "[ . 1 . 2]" 1
1696 1 39 CYS HA 1 89 ILE MD . . 5.930 5.949 5.924 5.989 0.059 9 0 "[ . 1 . 2]" 1
1697 1 39 CYS HB2 1 40 ASN H . . 5.490 3.132 3.065 3.163 . 0 0 "[ . 1 . 2]" 1
1698 1 39 CYS HB2 1 40 ASN HA . . 5.840 4.513 4.480 4.538 . 0 0 "[ . 1 . 2]" 1
1699 1 39 CYS HB2 1 45 VAL MG1 . . 5.680 3.719 3.195 3.839 . 0 0 "[ . 1 . 2]" 1
1700 1 39 CYS HB2 1 45 VAL MG2 . . 5.680 2.359 2.273 2.939 . 0 0 "[ . 1 . 2]" 1
1701 1 39 CYS HB2 1 60 VAL MG1 . . 5.800 3.425 3.316 3.547 . 0 0 "[ . 1 . 2]" 1
1702 1 39 CYS HB2 1 60 VAL MG2 . . 5.800 4.035 3.909 4.167 . 0 0 "[ . 1 . 2]" 1
1703 1 39 CYS HB2 1 62 PHE HZ . . 5.580 4.026 3.930 4.094 . 0 0 "[ . 1 . 2]" 1
1704 1 39 CYS HB2 1 62 PHE QE . . 5.730 4.651 4.527 4.718 . 0 0 "[ . 1 . 2]" 1
1705 1 39 CYS HB3 1 40 ASN H . . 5.490 3.923 3.883 3.960 . 0 0 "[ . 1 . 2]" 1
1706 1 39 CYS HB3 1 40 ASN HA . . 5.840 4.431 4.391 4.478 . 0 0 "[ . 1 . 2]" 1
1707 1 39 CYS HB3 1 45 VAL MG1 . . 5.680 3.859 3.557 3.953 . 0 0 "[ . 1 . 2]" 1
1708 1 39 CYS HB3 1 45 VAL MG2 . . 5.680 2.236 2.154 2.832 . 0 0 "[ . 1 . 2]" 1
1709 1 39 CYS HB3 1 60 VAL MG1 . . 5.800 2.735 2.599 2.861 . 0 0 "[ . 1 . 2]" 1
1710 1 39 CYS HB3 1 60 VAL MG2 . . 5.800 3.997 3.830 4.090 . 0 0 "[ . 1 . 2]" 1
1711 1 39 CYS HB3 1 62 PHE HZ . . 5.580 2.264 2.182 2.352 . 0 0 "[ . 1 . 2]" 1
1712 1 39 CYS HB3 1 62 PHE QE . . 5.730 3.283 3.171 3.361 . 0 0 "[ . 1 . 2]" 1
1713 1 39 CYS QB 1 40 ASN H . . 5.270 3.014 2.956 3.044 . 0 0 "[ . 1 . 2]" 1
1714 1 39 CYS QB 1 40 ASN HA . . 5.660 3.982 3.954 4.010 . 0 0 "[ . 1 . 2]" 1
1715 1 39 CYS QB 1 40 ASN HB2 . . 5.900 4.463 4.328 4.521 . 0 0 "[ . 1 . 2]" 1
1716 1 39 CYS QB 1 40 ASN HB3 . . 5.900 5.038 4.957 5.077 . 0 0 "[ . 1 . 2]" 1
1717 1 39 CYS QB 1 43 GLY H . . 5.900 5.233 5.084 5.363 . 0 0 "[ . 1 . 2]" 1
1718 1 39 CYS QB 1 45 VAL H . . 5.860 5.020 4.808 5.194 . 0 0 "[ . 1 . 2]" 1
1719 1 39 CYS QB 1 45 VAL HB . . 5.850 4.241 2.744 4.426 . 0 0 "[ . 1 . 2]" 1
1720 1 39 CYS QB 1 45 VAL QG . . 5.050 2.021 1.954 2.425 . 0 0 "[ . 1 . 2]" 1
1721 1 39 CYS QB 1 48 ILE MD . . 5.650 3.041 2.719 3.323 . 0 0 "[ . 1 . 2]" 1
1722 1 39 CYS QB 1 60 VAL QG . . 5.290 2.568 2.458 2.675 . 0 0 "[ . 1 . 2]" 1
1723 1 39 CYS QB 1 62 PHE HZ . . 5.400 2.252 2.171 2.338 . 0 0 "[ . 1 . 2]" 1
1724 1 39 CYS QB 1 62 PHE QE . . 5.540 3.220 3.112 3.292 . 0 0 "[ . 1 . 2]" 1
1725 1 39 CYS QB 1 71 ALA MB . . 5.900 4.040 3.924 4.152 . 0 0 "[ . 1 . 2]" 1
1726 1 39 CYS QB 1 75 LEU MD1 . . 5.690 3.615 3.542 3.682 . 0 0 "[ . 1 . 2]" 1
1727 1 40 ASN H 1 40 ASN HD21 . . 5.720 4.588 4.557 4.608 . 0 0 "[ . 1 . 2]" 1
1728 1 40 ASN H 1 41 PRO HD2 . . 5.230 2.254 2.197 2.310 . 0 0 "[ . 1 . 2]" 1
1729 1 40 ASN H 1 41 PRO HD3 . . 5.210 3.097 3.062 3.138 . 0 0 "[ . 1 . 2]" 1
1730 1 40 ASN H 1 41 PRO HG2 . . 5.740 4.550 4.498 4.614 . 0 0 "[ . 1 . 2]" 1
1731 1 40 ASN H 1 41 PRO HG3 . . 5.830 4.794 4.748 4.819 . 0 0 "[ . 1 . 2]" 1
1732 1 40 ASN H 1 42 CYS H . . 5.670 4.020 3.951 4.115 . 0 0 "[ . 1 . 2]" 1
1733 1 40 ASN H 1 43 GLY H . . 5.850 5.118 5.038 5.200 . 0 0 "[ . 1 . 2]" 1
1734 1 40 ASN H 1 45 VAL H . . 5.920 5.657 5.429 5.824 . 0 0 "[ . 1 . 2]" 1
1735 1 40 ASN H 1 45 VAL QG . . 5.230 3.354 3.266 3.446 . 0 0 "[ . 1 . 2]" 1
1736 1 40 ASN H 1 62 PHE HZ . . 5.920 5.556 5.408 5.661 . 0 0 "[ . 1 . 2]" 1
1737 1 40 ASN HA 1 42 CYS H . . 5.610 3.819 3.742 3.887 . 0 0 "[ . 1 . 2]" 1
1738 1 40 ASN HA 1 43 GLY H . . 5.460 3.373 3.318 3.446 . 0 0 "[ . 1 . 2]" 1
1739 1 40 ASN HA 1 44 PRO HA . . 5.630 4.142 3.941 4.304 . 0 0 "[ . 1 . 2]" 1
1740 1 40 ASN HA 1 45 VAL H . . 5.390 3.269 2.913 3.402 . 0 0 "[ . 1 . 2]" 1
1741 1 40 ASN HA 1 45 VAL HA . . 5.880 5.293 5.170 5.393 . 0 0 "[ . 1 . 2]" 1
1742 1 40 ASN HA 1 45 VAL HB . . 5.710 3.972 3.277 4.107 . 0 0 "[ . 1 . 2]" 1
1743 1 40 ASN HA 1 45 VAL QG . . 5.080 2.424 2.288 2.573 . 0 0 "[ . 1 . 2]" 1
1744 1 40 ASN HA 1 60 VAL QG . . 5.920 5.771 5.672 5.879 . 0 0 "[ . 1 . 2]" 1
1745 1 40 ASN HA 1 62 PHE QE . . 5.640 3.979 3.771 4.126 . 0 0 "[ . 1 . 2]" 1
1746 1 40 ASN HB2 1 41 PRO HD2 . . 5.700 4.193 4.145 4.265 . 0 0 "[ . 1 . 2]" 1
1747 1 40 ASN HB2 1 41 PRO HD3 . . 5.630 4.024 3.963 4.071 . 0 0 "[ . 1 . 2]" 1
1748 1 40 ASN HB2 1 42 CYS H . . 5.930 5.503 5.451 5.575 . 0 0 "[ . 1 . 2]" 1
1749 1 40 ASN HB2 1 45 VAL HB . . 5.890 4.274 4.124 4.567 . 0 0 "[ . 1 . 2]" 1
1750 1 40 ASN HB2 1 45 VAL MG1 . . 5.860 4.976 2.604 5.243 . 0 0 "[ . 1 . 2]" 1
1751 1 40 ASN HB2 1 45 VAL MG2 . . 5.860 3.576 3.329 4.797 . 0 0 "[ . 1 . 2]" 1
1752 1 40 ASN HB2 1 45 VAL QG . . 5.460 3.410 2.593 3.632 . 0 0 "[ . 1 . 2]" 1
1753 1 40 ASN HB2 1 48 ILE MD . . 5.930 5.487 5.169 5.642 . 0 0 "[ . 1 . 2]" 1
1754 1 40 ASN HB3 1 41 PRO HD2 . . 5.630 3.067 2.982 3.176 . 0 0 "[ . 1 . 2]" 1
1755 1 40 ASN HB3 1 41 PRO HD3 . . 5.560 2.370 2.293 2.442 . 0 0 "[ . 1 . 2]" 1
1756 1 40 ASN HB3 1 42 CYS H . . 5.860 4.858 4.792 4.936 . 0 0 "[ . 1 . 2]" 1
1757 1 40 ASN HB3 1 43 GLY H . . 5.930 5.490 5.434 5.543 . 0 0 "[ . 1 . 2]" 1
1758 1 40 ASN HB3 1 45 VAL HB . . 5.930 5.920 5.797 5.980 0.050 6 0 "[ . 1 . 2]" 1
1759 1 40 ASN HB3 1 45 VAL MG2 . . 5.930 4.625 4.417 6.034 0.104 10 0 "[ . 1 . 2]" 1
1760 1 40 ASN HB3 1 45 VAL QG . . 5.590 4.434 3.916 4.587 . 0 0 "[ . 1 . 2]" 1
1761 1 40 ASN HD21 1 41 PRO HA . . 5.890 4.824 4.744 4.897 . 0 0 "[ . 1 . 2]" 1
1762 1 40 ASN HD21 1 41 PRO HD2 . . 5.870 4.855 4.785 4.958 . 0 0 "[ . 1 . 2]" 1
1763 1 40 ASN HD21 1 41 PRO HD3 . . 5.780 3.485 3.411 3.598 . 0 0 "[ . 1 . 2]" 1
1764 1 40 ASN HD22 1 41 PRO HA . . 5.810 4.982 4.929 5.045 . 0 0 "[ . 1 . 2]" 1
1765 1 40 ASN HD22 1 41 PRO HD3 . . 5.740 4.816 4.713 4.956 . 0 0 "[ . 1 . 2]" 1
1766 1 41 PRO HA 1 42 CYS HA . . 5.800 4.689 4.649 4.723 . 0 0 "[ . 1 . 2]" 1
1767 1 41 PRO HA 1 43 GLY H . . 5.680 3.777 3.712 3.853 . 0 0 "[ . 1 . 2]" 1
1768 1 41 PRO HB2 1 42 CYS H . . 5.580 3.857 3.816 3.912 . 0 0 "[ . 1 . 2]" 1
1769 1 41 PRO HB2 1 42 CYS HA . . 5.840 4.442 4.403 4.483 . 0 0 "[ . 1 . 2]" 1
1770 1 41 PRO HB2 1 43 GLY H . . 5.930 5.333 5.283 5.414 . 0 0 "[ . 1 . 2]" 1
1771 1 41 PRO HB3 1 42 CYS H . . 5.750 4.422 4.389 4.452 . 0 0 "[ . 1 . 2]" 1
1772 1 41 PRO HD2 1 42 CYS H . . 5.630 2.814 2.758 2.865 . 0 0 "[ . 1 . 2]" 1
1773 1 41 PRO HD2 1 43 GLY H . . 5.870 4.683 4.610 4.765 . 0 0 "[ . 1 . 2]" 1
1774 1 41 PRO HD2 1 45 VAL QG . . 5.900 4.781 4.698 4.950 . 0 0 "[ . 1 . 2]" 1
1775 1 41 PRO HD2 1 75 LEU MD1 . . 5.800 4.517 4.400 4.615 . 0 0 "[ . 1 . 2]" 1
1776 1 41 PRO HD3 1 42 CYS H . . 5.640 3.941 3.906 3.970 . 0 0 "[ . 1 . 2]" 1
1777 1 41 PRO HD3 1 43 GLY H . . 5.930 5.374 5.320 5.425 . 0 0 "[ . 1 . 2]" 1
1778 1 41 PRO HD3 1 45 VAL QG . . 5.900 5.550 5.423 5.651 . 0 0 "[ . 1 . 2]" 1
1779 1 41 PRO HG2 1 42 CYS H . . 5.750 2.829 2.748 2.919 . 0 0 "[ . 1 . 2]" 1
1780 1 41 PRO HG2 1 42 CYS HA . . 5.820 4.440 4.366 4.503 . 0 0 "[ . 1 . 2]" 1
1781 1 41 PRO HG3 1 42 CYS H . . 5.800 4.294 4.229 4.367 . 0 0 "[ . 1 . 2]" 1
1782 1 42 CYS H 1 43 GLY H . . 4.920 2.396 2.348 2.432 . 0 0 "[ . 1 . 2]" 1
1783 1 42 CYS H 1 43 GLY QA . . 5.780 4.440 4.389 4.477 . 0 0 "[ . 1 . 2]" 1
1784 1 42 CYS H 1 45 VAL QG . . 5.780 4.625 4.505 5.216 . 0 0 "[ . 1 . 2]" 1
1785 1 42 CYS H 1 62 PHE HZ . . 5.800 4.840 4.705 5.026 . 0 0 "[ . 1 . 2]" 1
1786 1 42 CYS H 1 62 PHE QE . . 5.620 4.326 4.128 4.560 . 0 0 "[ . 1 . 2]" 1
1787 1 42 CYS H 1 71 ALA MB . . 5.730 4.733 4.673 4.851 . 0 0 "[ . 1 . 2]" 1
1788 1 42 CYS H 1 75 LEU MD1 . . 5.740 4.315 4.259 4.400 . 0 0 "[ . 1 . 2]" 1
1789 1 42 CYS H 1 75 LEU MD2 . . 5.870 4.927 4.878 5.026 . 0 0 "[ . 1 . 2]" 1
1790 1 42 CYS HA 1 43 GLY H . . 5.380 3.416 3.364 3.464 . 0 0 "[ . 1 . 2]" 1
1791 1 42 CYS HA 1 43 GLY QA . . 5.660 4.190 4.163 4.210 . 0 0 "[ . 1 . 2]" 1
1792 1 42 CYS HA 1 62 PHE QE . . 5.920 5.360 5.187 5.570 . 0 0 "[ . 1 . 2]" 1
1793 1 42 CYS HA 1 70 ARG HB2 . . 5.750 4.867 4.699 5.083 . 0 0 "[ . 1 . 2]" 1
1794 1 42 CYS HA 1 70 ARG HG3 . . 5.650 3.323 3.173 3.730 . 0 0 "[ . 1 . 2]" 1
1795 1 42 CYS HA 1 70 ARG QD . . 5.730 3.528 2.743 3.941 . 0 0 "[ . 1 . 2]" 1
1796 1 42 CYS HA 1 71 ALA MB . . 5.730 4.407 4.323 4.511 . 0 0 "[ . 1 . 2]" 1
1797 1 42 CYS HA 1 75 LEU MD1 . . 5.900 5.182 5.085 5.241 . 0 0 "[ . 1 . 2]" 1
1798 1 42 CYS HB2 1 71 ALA HA . . 5.500 3.538 3.400 3.699 . 0 0 "[ . 1 . 2]" 1
1799 1 42 CYS HB2 1 71 ALA MB . . 5.340 2.669 2.603 2.779 . 0 0 "[ . 1 . 2]" 1
1800 1 42 CYS HB2 1 74 SER HB3 . . 5.880 5.698 5.483 5.890 0.010 7 0 "[ . 1 . 2]" 1
1801 1 42 CYS HB2 1 75 LEU MD1 . . 5.840 3.156 2.952 3.302 . 0 0 "[ . 1 . 2]" 1
1802 1 42 CYS HB3 1 71 ALA HA . . 5.500 2.575 2.367 2.918 . 0 0 "[ . 1 . 2]" 1
1803 1 42 CYS HB3 1 71 ALA MB . . 5.340 2.185 2.109 2.238 . 0 0 "[ . 1 . 2]" 1
1804 1 42 CYS HB3 1 74 SER HB3 . . 5.880 4.730 4.461 5.041 . 0 0 "[ . 1 . 2]" 1
1805 1 42 CYS HB3 1 75 LEU MD1 . . 5.840 3.864 3.708 4.026 . 0 0 "[ . 1 . 2]" 1
1806 1 42 CYS QB 1 43 GLY H . . 5.400 3.278 3.168 3.370 . 0 0 "[ . 1 . 2]" 1
1807 1 42 CYS QB 1 43 GLY QA . . 5.780 3.971 3.923 4.017 . 0 0 "[ . 1 . 2]" 1
1808 1 42 CYS QB 1 62 PHE HZ . . 5.750 3.009 2.845 3.215 . 0 0 "[ . 1 . 2]" 1
1809 1 42 CYS QB 1 62 PHE QE . . 5.590 3.309 3.091 3.589 . 0 0 "[ . 1 . 2]" 1
1810 1 42 CYS QB 1 67 SER HA . . 5.900 4.556 3.991 4.935 . 0 0 "[ . 1 . 2]" 1
1811 1 42 CYS QB 1 70 ARG H . . 5.900 5.120 4.871 5.341 . 0 0 "[ . 1 . 2]" 1
1812 1 42 CYS QB 1 70 ARG HA . . 5.880 5.538 5.400 5.671 . 0 0 "[ . 1 . 2]" 1
1813 1 42 CYS QB 1 70 ARG HB2 . . 5.640 4.579 4.452 4.706 . 0 0 "[ . 1 . 2]" 1
1814 1 42 CYS QB 1 70 ARG HG2 . . 5.790 3.925 3.450 4.342 . 0 0 "[ . 1 . 2]" 1
1815 1 42 CYS QB 1 70 ARG HG3 . . 5.650 2.636 2.368 2.912 . 0 0 "[ . 1 . 2]" 1
1816 1 42 CYS QB 1 70 ARG QD . . 5.700 3.977 3.315 4.360 . 0 0 "[ . 1 . 2]" 1
1817 1 42 CYS QB 1 71 ALA H . . 5.320 3.410 3.304 3.594 . 0 0 "[ . 1 . 2]" 1
1818 1 42 CYS QB 1 71 ALA HA . . 5.290 2.515 2.327 2.815 . 0 0 "[ . 1 . 2]" 1
1819 1 42 CYS QB 1 71 ALA MB . . 5.110 2.091 2.023 2.133 . 0 0 "[ . 1 . 2]" 1
1820 1 42 CYS QB 1 74 SER HB3 . . 5.710 4.511 4.279 4.770 . 0 0 "[ . 1 . 2]" 1
1821 1 42 CYS QB 1 75 LEU MD1 . . 5.700 3.022 2.843 3.159 . 0 0 "[ . 1 . 2]" 1
1822 1 43 GLY H 1 44 PRO HA . . 5.850 4.866 4.816 4.914 . 0 0 "[ . 1 . 2]" 1
1823 1 43 GLY H 1 44 PRO HD2 . . 5.930 4.929 4.735 5.237 . 0 0 "[ . 1 . 2]" 1
1824 1 43 GLY H 1 44 PRO HD3 . . 5.930 4.638 4.425 4.798 . 0 0 "[ . 1 . 2]" 1
1825 1 43 GLY H 1 44 PRO QD . . 5.810 4.229 4.200 4.263 . 0 0 "[ . 1 . 2]" 1
1826 1 43 GLY H 1 45 VAL H . . 5.860 5.050 4.548 5.288 . 0 0 "[ . 1 . 2]" 1
1827 1 43 GLY H 1 45 VAL QG . . 5.690 4.178 4.026 4.813 . 0 0 "[ . 1 . 2]" 1
1828 1 43 GLY H 1 62 PHE HZ . . 5.790 5.040 4.869 5.164 . 0 0 "[ . 1 . 2]" 1
1829 1 43 GLY H 1 62 PHE QE . . 5.290 3.386 3.219 3.508 . 0 0 "[ . 1 . 2]" 1
1830 1 43 GLY H 1 71 ALA MB . . 5.720 5.103 4.923 5.262 . 0 0 "[ . 1 . 2]" 1
1831 1 43 GLY H 1 75 LEU MD1 . . 5.930 5.921 5.856 5.951 0.021 3 0 "[ . 1 . 2]" 1
1832 1 43 GLY QA 1 44 PRO HA . . 5.770 4.046 4.028 4.061 . 0 0 "[ . 1 . 2]" 1
1833 1 43 GLY QA 1 44 PRO HD2 . . 5.440 2.374 2.153 2.702 . 0 0 "[ . 1 . 2]" 1
1834 1 43 GLY QA 1 44 PRO HD3 . . 5.440 2.252 1.980 2.426 . 0 0 "[ . 1 . 2]" 1
1835 1 43 GLY QA 1 44 PRO HG2 . . 5.630 4.148 3.997 4.339 . 0 0 "[ . 1 . 2]" 1
1836 1 43 GLY QA 1 44 PRO HG3 . . 5.690 4.152 3.836 4.328 . 0 0 "[ . 1 . 2]" 1
1837 1 43 GLY QA 1 44 PRO QD . . 5.200 2.002 1.932 2.049 . 0 0 "[ . 1 . 2]" 1
1838 1 43 GLY QA 1 62 PHE QD . . 5.920 3.151 3.041 3.340 . 0 0 "[ . 1 . 2]" 1
1839 1 43 GLY QA 1 62 PHE QE . . 5.930 3.125 2.909 3.374 . 0 0 "[ . 1 . 2]" 1
1840 1 43 GLY QA 1 63 ASP H . . 5.890 5.134 4.910 5.353 . 0 0 "[ . 1 . 2]" 1
1841 1 43 GLY QA 1 70 ARG HG3 . . 5.710 4.880 4.594 5.292 . 0 0 "[ . 1 . 2]" 1
1842 1 43 GLY QA 1 70 ARG QD . . 5.640 4.115 3.515 4.959 . 0 0 "[ . 1 . 2]" 1
1843 1 44 PRO HA 1 45 VAL H . . 4.860 2.221 2.184 2.327 . 0 0 "[ . 1 . 2]" 1
1844 1 44 PRO HA 1 45 VAL HA . . 5.790 4.527 4.494 4.575 . 0 0 "[ . 1 . 2]" 1
1845 1 44 PRO HA 1 45 VAL HB . . 5.930 4.505 4.436 4.826 . 0 0 "[ . 1 . 2]" 1
1846 1 44 PRO HA 1 45 VAL QG . . 5.620 3.851 3.575 3.928 . 0 0 "[ . 1 . 2]" 1
1847 1 44 PRO HA 1 46 GLN HE21 . . 5.790 4.308 4.020 4.459 . 0 0 "[ . 1 . 2]" 1
1848 1 44 PRO HA 1 46 GLN HE22 . . 5.840 4.795 4.421 4.956 . 0 0 "[ . 1 . 2]" 1
1849 1 44 PRO HA 1 62 PHE QD . . 5.930 4.714 4.611 4.881 . 0 0 "[ . 1 . 2]" 1
1850 1 44 PRO HA 1 62 PHE QE . . 5.930 4.929 4.794 5.037 . 0 0 "[ . 1 . 2]" 1
1851 1 44 PRO HA 1 63 ASP H . . 6.000 5.482 5.304 5.650 . 0 0 "[ . 1 . 2]" 1
1852 1 44 PRO HA 1 63 ASP HB3 . . 5.930 5.718 5.413 5.941 0.011 16 0 "[ . 1 . 2]" 1
1853 1 44 PRO HB2 1 45 VAL H . . 5.670 4.155 4.030 4.301 . 0 0 "[ . 1 . 2]" 1
1854 1 44 PRO HB2 1 46 GLN HE21 . . 5.490 2.383 2.262 2.500 . 0 0 "[ . 1 . 2]" 1
1855 1 44 PRO HB2 1 46 GLN HE22 . . 5.460 2.875 2.570 3.414 . 0 0 "[ . 1 . 2]" 1
1856 1 44 PRO HB2 1 63 ASP H . . 5.670 3.988 3.251 4.577 . 0 0 "[ . 1 . 2]" 1
1857 1 44 PRO HB2 1 63 ASP HA . . 5.850 5.340 4.679 5.872 0.022 20 0 "[ . 1 . 2]" 1
1858 1 44 PRO HB2 1 63 ASP HB2 . . 5.630 2.810 2.152 3.300 . 0 0 "[ . 1 . 2]" 1
1859 1 44 PRO HB2 1 63 ASP HB3 . . 5.590 3.399 2.518 4.046 . 0 0 "[ . 1 . 2]" 1
1860 1 44 PRO HB3 1 45 VAL QG . . 5.920 5.503 5.318 5.633 . 0 0 "[ . 1 . 2]" 1
1861 1 44 PRO HB3 1 46 GLN HE21 . . 5.810 3.826 3.113 4.270 . 0 0 "[ . 1 . 2]" 1
1862 1 44 PRO HB3 1 46 GLN HE22 . . 5.810 3.901 3.138 4.322 . 0 0 "[ . 1 . 2]" 1
1863 1 44 PRO HB3 1 63 ASP H . . 5.900 5.422 4.958 5.804 . 0 0 "[ . 1 . 2]" 1
1864 1 44 PRO HB3 1 63 ASP HB2 . . 5.670 4.337 3.730 4.808 . 0 0 "[ . 1 . 2]" 1
1865 1 44 PRO HB3 1 63 ASP HB3 . . 5.770 4.662 4.156 5.053 . 0 0 "[ . 1 . 2]" 1
1866 1 44 PRO HG2 1 62 PHE QD . . 5.840 4.522 3.594 5.822 . 0 0 "[ . 1 . 2]" 1
1867 1 44 PRO HG2 1 63 ASP H . . 5.480 3.660 2.773 5.009 . 0 0 "[ . 1 . 2]" 1
1868 1 44 PRO HG2 1 63 ASP HB2 . . 5.750 3.088 2.400 4.100 . 0 0 "[ . 1 . 2]" 1
1869 1 44 PRO HG2 1 63 ASP HB3 . . 5.770 2.577 2.153 3.324 . 0 0 "[ . 1 . 2]" 1
1870 1 44 PRO HG3 1 46 GLN HE22 . . 5.930 5.157 4.753 5.684 . 0 0 "[ . 1 . 2]" 1
1871 1 44 PRO HG3 1 62 PHE QD . . 5.930 5.605 5.142 6.024 0.094 7 0 "[ . 1 . 2]" 1
1872 1 44 PRO HG3 1 63 ASP HB2 . . 5.880 4.294 3.632 5.253 . 0 0 "[ . 1 . 2]" 1
1873 1 44 PRO HG3 1 63 ASP HB3 . . 5.840 3.768 3.035 4.856 . 0 0 "[ . 1 . 2]" 1
1874 1 44 PRO QD 1 62 PHE QD . . 5.850 3.515 3.282 3.659 . 0 0 "[ . 1 . 2]" 1
1875 1 44 PRO QD 1 62 PHE QE . . 5.910 4.545 4.235 4.798 . 0 0 "[ . 1 . 2]" 1
1876 1 44 PRO QD 1 63 ASP H . . 5.910 4.017 3.648 4.428 . 0 0 "[ . 1 . 2]" 1
1877 1 44 PRO QD 1 63 ASP HB3 . . 5.910 3.619 2.885 4.086 . 0 0 "[ . 1 . 2]" 1
1878 1 45 VAL H 1 46 GLN H . . 5.770 4.659 4.634 4.690 . 0 0 "[ . 1 . 2]" 1
1879 1 45 VAL H 1 46 GLN HE21 . . 5.770 4.542 4.461 4.616 . 0 0 "[ . 1 . 2]" 1
1880 1 45 VAL H 1 46 GLN HE22 . . 5.930 5.275 5.142 5.348 . 0 0 "[ . 1 . 2]" 1
1881 1 45 VAL H 1 62 PHE HA . . 5.840 5.233 5.016 5.332 . 0 0 "[ . 1 . 2]" 1
1882 1 45 VAL H 1 62 PHE QD . . 5.730 4.261 3.682 4.412 . 0 0 "[ . 1 . 2]" 1
1883 1 45 VAL H 1 62 PHE QE . . 5.790 4.031 3.365 4.347 . 0 0 "[ . 1 . 2]" 1
1884 1 45 VAL H 1 63 ASP H . . 5.900 5.505 5.200 5.636 . 0 0 "[ . 1 . 2]" 1
1885 1 45 VAL HA 1 46 GLN H . . 5.050 2.281 2.262 2.332 . 0 0 "[ . 1 . 2]" 1
1886 1 45 VAL HA 1 46 GLN HA . . 5.720 4.446 4.430 4.458 . 0 0 "[ . 1 . 2]" 1
1887 1 45 VAL HA 1 46 GLN HB2 . . 5.880 4.573 4.495 4.610 . 0 0 "[ . 1 . 2]" 1
1888 1 45 VAL HA 1 46 GLN HE21 . . 5.700 4.199 4.039 4.343 . 0 0 "[ . 1 . 2]" 1
1889 1 45 VAL HA 1 46 GLN HE22 . . 5.900 5.516 5.389 5.638 . 0 0 "[ . 1 . 2]" 1
1890 1 45 VAL HA 1 46 GLN HG2 . . 5.660 3.535 3.330 3.598 . 0 0 "[ . 1 . 2]" 1
1891 1 45 VAL HA 1 46 GLN HG3 . . 5.900 5.269 5.064 5.329 . 0 0 "[ . 1 . 2]" 1
1892 1 45 VAL HA 1 47 ARG H . . 5.760 4.136 4.057 4.239 . 0 0 "[ . 1 . 2]" 1
1893 1 45 VAL HA 1 60 VAL QG . . 5.590 3.746 3.673 3.917 . 0 0 "[ . 1 . 2]" 1
1894 1 45 VAL HA 1 61 GLU H . . 5.930 4.789 4.662 4.878 . 0 0 "[ . 1 . 2]" 1
1895 1 45 VAL HA 1 62 PHE H . . 5.800 5.262 5.060 5.365 . 0 0 "[ . 1 . 2]" 1
1896 1 45 VAL HA 1 62 PHE HA . . 5.200 2.749 2.432 2.844 . 0 0 "[ . 1 . 2]" 1
1897 1 45 VAL HA 1 62 PHE HB2 . . 5.860 5.313 4.940 5.416 . 0 0 "[ . 1 . 2]" 1
1898 1 45 VAL HA 1 63 ASP H . . 5.680 4.086 3.694 4.212 . 0 0 "[ . 1 . 2]" 1
1899 1 45 VAL HB 1 46 GLN H . . 5.660 4.070 4.044 4.127 . 0 0 "[ . 1 . 2]" 1
1900 1 45 VAL HB 1 62 PHE HA . . 5.850 5.739 4.650 5.864 0.014 18 0 "[ . 1 . 2]" 1
1901 1 45 VAL HB 1 62 PHE QD . . 5.930 5.444 3.711 5.629 . 0 0 "[ . 1 . 2]" 1
1902 1 45 VAL HB 1 62 PHE QE . . 5.930 4.887 2.614 5.134 . 0 0 "[ . 1 . 2]" 1
1903 1 45 VAL MG1 1 46 GLN H . . 5.670 2.418 2.301 3.750 . 0 0 "[ . 1 . 2]" 1
1904 1 45 VAL MG1 1 46 GLN HG2 . . 5.930 4.550 4.467 5.044 . 0 0 "[ . 1 . 2]" 1
1905 1 45 VAL MG1 1 48 ILE HG13 . . 5.870 2.354 2.188 4.036 . 0 0 "[ . 1 . 2]" 1
1906 1 45 VAL MG1 1 48 ILE MD . . 5.430 2.172 2.092 3.118 . 0 0 "[ . 1 . 2]" 1
1907 1 45 VAL MG1 1 62 PHE HA . . 5.770 4.250 3.978 5.215 . 0 0 "[ . 1 . 2]" 1
1908 1 45 VAL MG1 1 62 PHE QD . . 5.920 4.603 4.491 4.660 . 0 0 "[ . 1 . 2]" 1
1909 1 45 VAL MG1 1 63 ASP H . . 5.930 5.778 5.608 5.956 0.026 10 0 "[ . 1 . 2]" 1
1910 1 45 VAL MG2 1 46 GLN H . . 5.670 3.772 2.267 3.875 . 0 0 "[ . 1 . 2]" 1
1911 1 45 VAL MG2 1 46 GLN HG2 . . 5.930 5.282 4.444 5.369 . 0 0 "[ . 1 . 2]" 1
1912 1 45 VAL MG2 1 48 ILE HG13 . . 5.870 4.153 2.575 4.388 . 0 0 "[ . 1 . 2]" 1
1913 1 45 VAL MG2 1 48 ILE MD . . 5.430 2.967 2.212 3.125 . 0 0 "[ . 1 . 2]" 1
1914 1 45 VAL MG2 1 62 PHE HA . . 5.770 4.217 3.685 4.386 . 0 0 "[ . 1 . 2]" 1
1915 1 45 VAL MG2 1 62 PHE QD . . 5.920 3.515 3.409 3.954 . 0 0 "[ . 1 . 2]" 1
1916 1 45 VAL MG2 1 63 ASP H . . 5.930 5.406 5.265 5.546 . 0 0 "[ . 1 . 2]" 1
1917 1 45 VAL QG 1 109 TYR H . . 5.700 4.196 3.982 4.578 . 0 0 "[ . 1 . 2]" 1
1918 1 45 VAL QG 1 109 TYR HA . . 5.920 5.393 5.161 5.664 . 0 0 "[ . 1 . 2]" 1
1919 1 45 VAL QG 1 109 TYR HB2 . . 5.770 3.162 2.836 3.479 . 0 0 "[ . 1 . 2]" 1
1920 1 45 VAL QG 1 109 TYR HB3 . . 5.770 4.228 3.845 4.587 . 0 0 "[ . 1 . 2]" 1
1921 1 45 VAL QG 1 109 TYR QD . . 5.230 2.441 2.319 3.023 . 0 0 "[ . 1 . 2]" 1
1922 1 45 VAL QG 1 109 TYR QE . . 5.860 3.269 3.145 3.718 . 0 0 "[ . 1 . 2]" 1
1923 1 45 VAL QG 1 46 GLN H . . 5.210 2.324 2.250 2.385 . 0 0 "[ . 1 . 2]" 1
1924 1 45 VAL QG 1 46 GLN HA . . 5.570 3.607 3.535 3.686 . 0 0 "[ . 1 . 2]" 1
1925 1 45 VAL QG 1 46 GLN HB2 . . 5.840 4.240 4.178 4.291 . 0 0 "[ . 1 . 2]" 1
1926 1 45 VAL QG 1 46 GLN HE21 . . 5.840 4.837 4.606 4.924 . 0 0 "[ . 1 . 2]" 1
1927 1 45 VAL QG 1 46 GLN HE22 . . 5.920 5.501 5.039 5.580 . 0 0 "[ . 1 . 2]" 1
1928 1 45 VAL QG 1 46 GLN HG2 . . 5.690 4.284 4.169 4.335 . 0 0 "[ . 1 . 2]" 1
1929 1 45 VAL QG 1 46 GLN HG3 . . 5.920 5.437 5.323 5.478 . 0 0 "[ . 1 . 2]" 1
1930 1 45 VAL QG 1 47 ARG H . . 5.170 2.648 2.519 2.748 . 0 0 "[ . 1 . 2]" 1
1931 1 45 VAL QG 1 47 ARG HA . . 5.780 3.716 3.646 4.042 . 0 0 "[ . 1 . 2]" 1
1932 1 45 VAL QG 1 48 ILE H . . 5.790 4.430 4.366 4.695 . 0 0 "[ . 1 . 2]" 1
1933 1 45 VAL QG 1 48 ILE HA . . 5.910 4.389 4.202 4.543 . 0 0 "[ . 1 . 2]" 1
1934 1 45 VAL QG 1 48 ILE HG12 . . 5.520 2.912 2.592 3.033 . 0 0 "[ . 1 . 2]" 1
1935 1 45 VAL QG 1 48 ILE HG13 . . 5.460 2.271 2.181 2.547 . 0 0 "[ . 1 . 2]" 1
1936 1 45 VAL QG 1 48 ILE MD . . 4.970 2.085 2.051 2.169 . 0 0 "[ . 1 . 2]" 1
1937 1 45 VAL QG 1 48 ILE MG . . 5.920 4.146 4.041 4.265 . 0 0 "[ . 1 . 2]" 1
1938 1 45 VAL QG 1 60 VAL QG . . 4.950 2.126 1.968 2.209 . 0 0 "[ . 1 . 2]" 1
1939 1 45 VAL QG 1 61 GLU H . . 5.830 3.082 2.944 3.260 . 0 0 "[ . 1 . 2]" 1
1940 1 45 VAL QG 1 62 PHE HA . . 5.560 3.753 3.579 3.864 . 0 0 "[ . 1 . 2]" 1
1941 1 45 VAL QG 1 62 PHE HZ . . 5.580 3.039 2.859 3.812 . 0 0 "[ . 1 . 2]" 1
1942 1 45 VAL QG 1 62 PHE QD . . 5.600 3.409 3.311 3.751 . 0 0 "[ . 1 . 2]" 1
1943 1 45 VAL QG 1 62 PHE QE . . 5.170 2.526 2.400 3.373 . 0 0 "[ . 1 . 2]" 1
1944 1 45 VAL QG 1 63 ASP H . . 5.800 4.962 4.827 5.060 . 0 0 "[ . 1 . 2]" 1
1945 1 45 VAL QG 1 71 ALA MB . . 5.820 4.561 4.414 5.067 . 0 0 "[ . 1 . 2]" 1
1946 1 46 GLN H 1 109 TYR HB2 . . 5.890 4.413 4.228 4.658 . 0 0 "[ . 1 . 2]" 1
1947 1 46 GLN H 1 109 TYR QD . . 5.850 4.695 4.564 4.918 . 0 0 "[ . 1 . 2]" 1
1948 1 46 GLN H 1 110 THR MG . . 5.840 5.874 5.838 5.902 0.062 13 0 "[ . 1 . 2]" 1
1949 1 46 GLN H 1 46 GLN HE21 . . 5.650 4.328 4.173 4.464 . 0 0 "[ . 1 . 2]" 1
1950 1 46 GLN H 1 46 GLN HE22 . . 5.860 5.401 5.285 5.516 . 0 0 "[ . 1 . 2]" 1
1951 1 46 GLN H 1 46 GLN HG2 . . 5.440 2.759 2.671 2.814 . 0 0 "[ . 1 . 2]" 1
1952 1 46 GLN H 1 46 GLN HG3 . . 5.560 4.095 4.030 4.136 . 0 0 "[ . 1 . 2]" 1
1953 1 46 GLN H 1 47 ARG H . . 5.150 2.063 2.005 2.101 . 0 0 "[ . 1 . 2]" 1
1954 1 46 GLN H 1 47 ARG HA . . 5.820 4.668 4.618 4.718 . 0 0 "[ . 1 . 2]" 1
1955 1 46 GLN H 1 48 ILE MD . . 5.910 5.490 5.371 5.611 . 0 0 "[ . 1 . 2]" 1
1956 1 46 GLN H 1 60 VAL HA . . 5.930 5.656 5.582 5.721 . 0 0 "[ . 1 . 2]" 1
1957 1 46 GLN H 1 60 VAL QG . . 5.660 3.922 3.858 3.976 . 0 0 "[ . 1 . 2]" 1
1958 1 46 GLN H 1 61 GLU H . . 5.760 3.704 3.613 3.797 . 0 0 "[ . 1 . 2]" 1
1959 1 46 GLN H 1 61 GLU HA . . 5.860 5.047 4.975 5.099 . 0 0 "[ . 1 . 2]" 1
1960 1 46 GLN H 1 62 PHE H . . 5.850 4.829 4.779 4.891 . 0 0 "[ . 1 . 2]" 1
1961 1 46 GLN H 1 62 PHE HA . . 5.290 3.066 2.981 3.121 . 0 0 "[ . 1 . 2]" 1
1962 1 46 GLN H 1 62 PHE HB2 . . 5.930 5.860 5.786 5.932 0.002 11 0 "[ . 1 . 2]" 1
1963 1 46 GLN H 1 62 PHE QD . . 5.930 4.755 4.600 4.842 . 0 0 "[ . 1 . 2]" 1
1964 1 46 GLN H 1 63 ASP H . . 5.720 4.708 4.620 4.790 . 0 0 "[ . 1 . 2]" 1
1965 1 46 GLN H 1 63 ASP HA . . 6.000 5.887 5.769 6.018 0.018 14 0 "[ . 1 . 2]" 1
1966 1 46 GLN H 1 63 ASP HB2 . . 5.930 5.465 5.318 5.552 . 0 0 "[ . 1 . 2]" 1
1967 1 46 GLN HA 1 109 TYR H . . 5.790 3.607 3.502 3.729 . 0 0 "[ . 1 . 2]" 1
1968 1 46 GLN HA 1 109 TYR HB2 . . 5.630 2.666 2.569 2.868 . 0 0 "[ . 1 . 2]" 1
1969 1 46 GLN HA 1 109 TYR HB3 . . 5.730 3.823 3.666 3.977 . 0 0 "[ . 1 . 2]" 1
1970 1 46 GLN HA 1 109 TYR QD . . 5.770 4.286 4.158 4.535 . 0 0 "[ . 1 . 2]" 1
1971 1 46 GLN HA 1 110 THR H . . 5.850 4.554 4.390 4.713 . 0 0 "[ . 1 . 2]" 1
1972 1 46 GLN HA 1 110 THR HB . . 5.030 3.576 3.486 3.780 . 0 0 "[ . 1 . 2]" 1
1973 1 46 GLN HA 1 110 THR MG . . 5.430 3.708 3.611 3.782 . 0 0 "[ . 1 . 2]" 1
1974 1 46 GLN HA 1 46 GLN HE21 . . 5.540 3.817 3.750 3.913 . 0 0 "[ . 1 . 2]" 1
1975 1 46 GLN HA 1 46 GLN HE22 . . 5.560 3.836 3.778 3.918 . 0 0 "[ . 1 . 2]" 1
1976 1 46 GLN HA 1 47 ARG HA . . 5.830 4.566 4.538 4.594 . 0 0 "[ . 1 . 2]" 1
1977 1 46 GLN HA 1 61 GLU HG2 . . 5.930 5.637 5.520 5.792 . 0 0 "[ . 1 . 2]" 1
1978 1 46 GLN HA 1 62 PHE HA . . 5.900 5.346 5.283 5.443 . 0 0 "[ . 1 . 2]" 1
1979 1 46 GLN HB2 1 110 THR HB . . 5.660 5.670 5.625 5.723 0.063 2 0 "[ . 1 . 2]" 1
1980 1 46 GLN HB2 1 110 THR MG . . 5.260 4.547 4.408 4.625 . 0 0 "[ . 1 . 2]" 1
1981 1 46 GLN HB2 1 47 ARG H . . 5.270 2.754 2.686 2.829 . 0 0 "[ . 1 . 2]" 1
1982 1 46 GLN HB2 1 61 GLU H . . 5.930 4.693 4.621 4.850 . 0 0 "[ . 1 . 2]" 1
1983 1 46 GLN HB2 1 61 GLU HG2 . . 5.610 2.614 2.495 2.808 . 0 0 "[ . 1 . 2]" 1
1984 1 46 GLN HB2 1 62 PHE H . . 5.930 4.744 4.533 4.901 . 0 0 "[ . 1 . 2]" 1
1985 1 46 GLN HB2 1 62 PHE HA . . 5.860 3.894 3.785 4.033 . 0 0 "[ . 1 . 2]" 1
1986 1 46 GLN HB2 1 97 LEU QD . . 5.920 5.776 5.643 5.885 . 0 0 "[ . 1 . 2]" 1
1987 1 46 GLN HB3 1 109 TYR H . . 5.930 4.817 4.704 4.899 . 0 0 "[ . 1 . 2]" 1
1988 1 46 GLN HB3 1 110 THR MG . . 5.480 3.070 2.932 3.154 . 0 0 "[ . 1 . 2]" 1
1989 1 46 GLN HB3 1 47 ARG H . . 5.520 3.812 3.754 3.863 . 0 0 "[ . 1 . 2]" 1
1990 1 46 GLN HB3 1 47 ARG HG3 . . 5.430 3.267 3.024 3.675 . 0 0 "[ . 1 . 2]" 1
1991 1 46 GLN HE21 1 62 PHE HA . . 5.680 4.244 4.147 4.333 . 0 0 "[ . 1 . 2]" 1
1992 1 46 GLN HE21 1 63 ASP H . . 5.520 3.235 3.150 3.299 . 0 0 "[ . 1 . 2]" 1
1993 1 46 GLN HE21 1 63 ASP HA . . 5.590 3.887 3.512 4.171 . 0 0 "[ . 1 . 2]" 1
1994 1 46 GLN HE21 1 63 ASP HB2 . . 5.570 1.892 1.784 1.988 . 0 0 "[ . 1 . 2]" 1
1995 1 46 GLN HE21 1 63 ASP HB3 . . 5.720 3.505 3.403 3.632 . 0 0 "[ . 1 . 2]" 1
1996 1 46 GLN HE22 1 62 PHE HA . . 5.930 5.922 5.831 5.990 0.060 10 0 "[ . 1 . 2]" 1
1997 1 46 GLN HE22 1 63 ASP H . . 5.730 4.939 4.843 5.021 . 0 0 "[ . 1 . 2]" 1
1998 1 46 GLN HE22 1 63 ASP HA . . 5.590 5.009 4.692 5.315 . 0 0 "[ . 1 . 2]" 1
1999 1 46 GLN HE22 1 63 ASP HB2 . . 5.540 3.096 3.058 3.163 . 0 0 "[ . 1 . 2]" 1
2000 1 46 GLN HE22 1 63 ASP HB3 . . 5.750 4.645 4.543 4.706 . 0 0 "[ . 1 . 2]" 1
2001 1 46 GLN HG2 1 110 THR MG . . 5.790 5.218 5.107 5.324 . 0 0 "[ . 1 . 2]" 1
2002 1 46 GLN HG2 1 47 ARG H . . 5.610 4.315 4.238 4.358 . 0 0 "[ . 1 . 2]" 1
2003 1 46 GLN HG2 1 62 PHE H . . 5.850 5.009 4.904 5.165 . 0 0 "[ . 1 . 2]" 1
2004 1 46 GLN HG2 1 62 PHE HA . . 5.640 2.866 2.750 2.964 . 0 0 "[ . 1 . 2]" 1
2005 1 46 GLN HG2 1 63 ASP H . . 5.500 2.978 2.887 3.096 . 0 0 "[ . 1 . 2]" 1
2006 1 46 GLN HG2 1 63 ASP HA . . 5.310 3.370 3.212 3.539 . 0 0 "[ . 1 . 2]" 1
2007 1 46 GLN HG2 1 63 ASP HB2 . . 5.700 2.948 2.808 3.105 . 0 0 "[ . 1 . 2]" 1
2008 1 46 GLN HG2 1 63 ASP HB3 . . 5.850 4.445 4.337 4.579 . 0 0 "[ . 1 . 2]" 1
2009 1 46 GLN HG2 1 64 SER H . . 5.920 5.161 5.093 5.278 . 0 0 "[ . 1 . 2]" 1
2010 1 46 GLN HG3 1 110 THR MG . . 5.660 4.426 4.244 4.565 . 0 0 "[ . 1 . 2]" 1
2011 1 46 GLN HG3 1 61 GLU HG2 . . 5.620 3.933 3.789 4.177 . 0 0 "[ . 1 . 2]" 1
2012 1 46 GLN HG3 1 62 PHE HA . . 5.760 4.130 3.995 4.283 . 0 0 "[ . 1 . 2]" 1
2013 1 46 GLN HG3 1 63 ASP H . . 5.730 3.891 3.779 4.107 . 0 0 "[ . 1 . 2]" 1
2014 1 46 GLN HG3 1 63 ASP HA . . 5.400 2.718 2.556 2.884 . 0 0 "[ . 1 . 2]" 1
2015 1 46 GLN HG3 1 63 ASP HB2 . . 5.760 3.296 2.993 3.650 . 0 0 "[ . 1 . 2]" 1
2016 1 46 GLN HG3 1 63 ASP HB3 . . 5.930 4.780 4.570 5.065 . 0 0 "[ . 1 . 2]" 1
2017 1 47 ARG H 1 108 ASP HA . . 5.900 5.071 4.953 5.190 . 0 0 "[ . 1 . 2]" 1
2018 1 47 ARG H 1 109 TYR H . . 5.840 4.514 4.430 4.644 . 0 0 "[ . 1 . 2]" 1
2019 1 47 ARG H 1 109 TYR QD . . 5.640 4.208 4.061 4.345 . 0 0 "[ . 1 . 2]" 1
2020 1 47 ARG H 1 110 THR MG . . 5.600 5.656 5.633 5.672 0.072 5 0 "[ . 1 . 2]" 1
2021 1 47 ARG H 1 47 ARG HD2 . . 5.900 5.489 5.058 5.601 . 0 0 "[ . 1 . 2]" 1
2022 1 47 ARG H 1 47 ARG HD3 . . 5.900 5.887 5.599 5.963 0.063 18 0 "[ . 1 . 2]" 1
2023 1 47 ARG H 1 47 ARG HG2 . . 5.760 4.416 4.243 4.695 . 0 0 "[ . 1 . 2]" 1
2024 1 47 ARG H 1 47 ARG HG3 . . 5.460 3.578 3.444 3.802 . 0 0 "[ . 1 . 2]" 1
2025 1 47 ARG H 1 47 ARG QD . . 5.770 5.044 4.705 5.094 . 0 0 "[ . 1 . 2]" 1
2026 1 47 ARG H 1 48 ILE H . . 5.730 4.416 4.408 4.430 . 0 0 "[ . 1 . 2]" 1
2027 1 47 ARG H 1 48 ILE HA . . 5.870 4.965 4.924 4.999 . 0 0 "[ . 1 . 2]" 1
2028 1 47 ARG H 1 48 ILE MD . . 5.910 5.178 5.075 5.269 . 0 0 "[ . 1 . 2]" 1
2029 1 47 ARG H 1 60 VAL HA . . 5.820 4.568 4.521 4.666 . 0 0 "[ . 1 . 2]" 1
2030 1 47 ARG H 1 60 VAL QG . . 5.710 3.872 3.778 3.948 . 0 0 "[ . 1 . 2]" 1
2031 1 47 ARG H 1 61 GLU H . . 5.390 2.820 2.777 2.883 . 0 0 "[ . 1 . 2]" 1
2032 1 47 ARG H 1 61 GLU HA . . 5.860 4.788 4.720 4.855 . 0 0 "[ . 1 . 2]" 1
2033 1 47 ARG H 1 61 GLU QB . . 5.400 2.747 2.566 2.898 . 0 0 "[ . 1 . 2]" 1
2034 1 47 ARG H 1 61 GLU HG2 . . 5.630 3.989 3.802 4.161 . 0 0 "[ . 1 . 2]" 1
2035 1 47 ARG H 1 61 GLU HG3 . . 5.830 5.285 5.156 5.406 . 0 0 "[ . 1 . 2]" 1
2036 1 47 ARG H 1 62 PHE HA . . 5.780 4.654 4.551 4.695 . 0 0 "[ . 1 . 2]" 1
2037 1 47 ARG H 1 97 LEU QD . . 5.690 4.778 4.719 4.856 . 0 0 "[ . 1 . 2]" 1
2038 1 47 ARG HA 1 107 TRP H . . 5.900 5.054 4.817 5.284 . 0 0 "[ . 1 . 2]" 1
2039 1 47 ARG HA 1 107 TRP HA . . 6.000 5.937 5.812 6.028 0.028 8 0 "[ . 1 . 2]" 1
2040 1 47 ARG HA 1 108 ASP H . . 5.790 4.989 4.868 5.139 . 0 0 "[ . 1 . 2]" 1
2041 1 47 ARG HA 1 108 ASP HA . . 5.440 2.348 2.281 2.478 . 0 0 "[ . 1 . 2]" 1
2042 1 47 ARG HA 1 108 ASP QB . . 5.900 3.886 3.650 4.036 . 0 0 "[ . 1 . 2]" 1
2043 1 47 ARG HA 1 109 TYR H . . 5.410 2.798 2.676 2.877 . 0 0 "[ . 1 . 2]" 1
2044 1 47 ARG HA 1 109 TYR HB2 . . 5.860 4.169 3.950 4.316 . 0 0 "[ . 1 . 2]" 1
2045 1 47 ARG HA 1 109 TYR QD . . 5.390 3.212 3.026 3.329 . 0 0 "[ . 1 . 2]" 1
2046 1 47 ARG HA 1 110 THR H . . 5.750 5.301 5.227 5.404 . 0 0 "[ . 1 . 2]" 1
2047 1 47 ARG HA 1 48 ILE H . . 5.040 2.249 2.217 2.285 . 0 0 "[ . 1 . 2]" 1
2048 1 47 ARG HA 1 48 ILE HA . . 5.770 4.491 4.475 4.508 . 0 0 "[ . 1 . 2]" 1
2049 1 47 ARG HA 1 61 GLU H . . 5.860 4.898 4.837 4.952 . 0 0 "[ . 1 . 2]" 1
2050 1 47 ARG HA 1 97 LEU QD . . 5.710 4.165 4.105 4.224 . 0 0 "[ . 1 . 2]" 1
2051 1 47 ARG HA 1 99 VAL MG1 . . 5.920 5.344 5.082 5.639 . 0 0 "[ . 1 . 2]" 1
2052 1 47 ARG HA 1 99 VAL MG2 . . 5.920 4.430 4.251 4.597 . 0 0 "[ . 1 . 2]" 1
2053 1 47 ARG HA 1 99 VAL QG . . 5.670 4.227 4.047 4.404 . 0 0 "[ . 1 . 2]" 1
2054 1 47 ARG HB2 1 48 ILE H . . 5.490 3.973 3.803 4.096 . 0 0 "[ . 1 . 2]" 1
2055 1 47 ARG HB2 1 61 GLU H . . 5.860 3.884 3.723 3.951 . 0 0 "[ . 1 . 2]" 1
2056 1 47 ARG HB2 1 61 GLU QB . . 5.770 2.213 2.118 2.317 . 0 0 "[ . 1 . 2]" 1
2057 1 47 ARG HB2 1 97 LEU HB2 . . 5.710 4.251 4.114 4.492 . 0 0 "[ . 1 . 2]" 1
2058 1 47 ARG HB2 1 97 LEU HB3 . . 5.780 5.448 5.191 5.731 . 0 0 "[ . 1 . 2]" 1
2059 1 47 ARG HB2 1 97 LEU QD . . 5.630 2.527 2.259 2.715 . 0 0 "[ . 1 . 2]" 1
2060 1 47 ARG HB2 1 99 VAL QG . . 5.630 4.223 4.074 4.404 . 0 0 "[ . 1 . 2]" 1
2061 1 47 ARG HB3 1 108 ASP HA . . 5.490 3.913 3.700 4.141 . 0 0 "[ . 1 . 2]" 1
2062 1 47 ARG HB3 1 109 TYR H . . 5.860 5.044 4.844 5.285 . 0 0 "[ . 1 . 2]" 1
2063 1 47 ARG HB3 1 48 ILE H . . 5.650 2.719 2.601 2.819 . 0 0 "[ . 1 . 2]" 1
2064 1 47 ARG HB3 1 61 GLU QB . . 5.790 3.687 3.400 3.888 . 0 0 "[ . 1 . 2]" 1
2065 1 47 ARG HB3 1 97 LEU QD . . 5.590 2.112 2.072 2.212 . 0 0 "[ . 1 . 2]" 1
2066 1 47 ARG HB3 1 99 VAL H . . 5.930 5.986 5.846 6.049 0.119 11 0 "[ . 1 . 2]" 1
2067 1 47 ARG HB3 1 99 VAL HB . . 5.780 5.708 5.507 5.787 0.007 10 0 "[ . 1 . 2]" 1
2068 1 47 ARG HB3 1 99 VAL QG . . 5.270 3.099 2.931 3.204 . 0 0 "[ . 1 . 2]" 1
2069 1 47 ARG HD2 1 97 LEU H . . 5.760 3.976 3.382 4.289 . 0 0 "[ . 1 . 2]" 1
2070 1 47 ARG HD3 1 97 LEU H . . 5.760 4.770 4.338 5.261 . 0 0 "[ . 1 . 2]" 1
2071 1 47 ARG HE 1 110 THR MG . . 5.660 5.464 4.465 5.673 0.013 6 0 "[ . 1 . 2]" 1
2072 1 47 ARG HE 1 97 LEU HA . . 5.930 5.745 5.563 6.117 0.187 12 0 "[ . 1 . 2]" 1
2073 1 47 ARG HE 1 97 LEU HG . . 5.930 4.343 3.841 5.920 . 0 0 "[ . 1 . 2]" 1
2074 1 47 ARG HG2 1 108 ASP H . . 5.930 4.982 4.743 5.217 . 0 0 "[ . 1 . 2]" 1
2075 1 47 ARG HG2 1 108 ASP HA . . 5.620 2.369 2.216 2.533 . 0 0 "[ . 1 . 2]" 1
2076 1 47 ARG HG2 1 109 TYR H . . 5.930 3.488 3.226 4.022 . 0 0 "[ . 1 . 2]" 1
2077 1 47 ARG HG2 1 48 ILE H . . 5.900 3.767 3.472 4.051 . 0 0 "[ . 1 . 2]" 1
2078 1 47 ARG HG2 1 97 LEU HB2 . . 5.740 4.765 4.581 4.986 . 0 0 "[ . 1 . 2]" 1
2079 1 47 ARG HG2 1 97 LEU QD . . 5.890 3.676 3.369 3.852 . 0 0 "[ . 1 . 2]" 1
2080 1 47 ARG HG2 1 99 VAL QG . . 5.690 2.982 2.360 3.553 . 0 0 "[ . 1 . 2]" 1
2081 1 47 ARG HG3 1 108 ASP HA . . 5.710 3.568 2.883 4.014 . 0 0 "[ . 1 . 2]" 1
2082 1 47 ARG HG3 1 109 TYR H . . 5.890 3.777 3.480 4.086 . 0 0 "[ . 1 . 2]" 1
2083 1 47 ARG HG3 1 110 THR MG . . 5.550 3.664 3.582 3.809 . 0 0 "[ . 1 . 2]" 1
2084 1 47 ARG HG3 1 48 ILE H . . 5.930 4.773 4.432 4.966 . 0 0 "[ . 1 . 2]" 1
2085 1 47 ARG HG3 1 61 GLU H . . 5.930 5.800 5.518 5.993 0.063 2 0 "[ . 1 . 2]" 1
2086 1 47 ARG HG3 1 99 VAL QG . . 5.810 4.153 3.720 4.607 . 0 0 "[ . 1 . 2]" 1
2087 1 47 ARG QD 1 108 ASP HA . . 5.680 4.089 4.009 4.287 . 0 0 "[ . 1 . 2]" 1
2088 1 47 ARG QD 1 110 THR MG . . 5.860 4.329 3.969 4.884 . 0 0 "[ . 1 . 2]" 1
2089 1 47 ARG QD 1 48 ILE H . . 5.900 4.615 4.482 4.746 . 0 0 "[ . 1 . 2]" 1
2090 1 47 ARG QD 1 96 ARG HA . . 5.900 5.354 4.797 5.733 . 0 0 "[ . 1 . 2]" 1
2091 1 47 ARG QD 1 96 ARG HE . . 5.550 5.067 4.126 5.640 0.090 16 0 "[ . 1 . 2]" 1
2092 1 47 ARG QD 1 97 LEU H . . 5.580 3.783 3.270 4.030 . 0 0 "[ . 1 . 2]" 1
2093 1 47 ARG QD 1 97 LEU HB3 . . 5.820 3.113 2.750 3.334 . 0 0 "[ . 1 . 2]" 1
2094 1 47 ARG QD 1 97 LEU QD . . 5.650 2.224 1.966 2.407 . 0 0 "[ . 1 . 2]" 1
2095 1 47 ARG QD 1 98 ASN HA . . 5.900 5.430 5.200 5.591 . 0 0 "[ . 1 . 2]" 1
2096 1 47 ARG QD 1 99 VAL H . . 5.610 3.783 3.553 3.962 . 0 0 "[ . 1 . 2]" 1
2097 1 47 ARG QD 1 99 VAL HB . . 5.680 3.818 3.530 4.131 . 0 0 "[ . 1 . 2]" 1
2098 1 47 ARG QD 1 99 VAL QG . . 5.480 2.160 2.026 2.353 . 0 0 "[ . 1 . 2]" 1
2099 1 48 ILE H 1 106 THR HA . . 5.880 5.030 4.759 5.314 . 0 0 "[ . 1 . 2]" 1
2100 1 48 ILE H 1 107 TRP H . . 5.340 3.286 3.002 3.577 . 0 0 "[ . 1 . 2]" 1
2101 1 48 ILE H 1 107 TRP HA . . 5.830 5.091 4.963 5.205 . 0 0 "[ . 1 . 2]" 1
2102 1 48 ILE H 1 107 TRP HB2 . . 5.790 5.049 4.849 5.256 . 0 0 "[ . 1 . 2]" 1
2103 1 48 ILE H 1 107 TRP HB3 . . 5.680 3.605 3.327 3.819 . 0 0 "[ . 1 . 2]" 1
2104 1 48 ILE H 1 108 ASP H . . 5.840 5.086 5.012 5.233 . 0 0 "[ . 1 . 2]" 1
2105 1 48 ILE H 1 108 ASP HA . . 5.460 3.472 3.383 3.565 . 0 0 "[ . 1 . 2]" 1
2106 1 48 ILE H 1 108 ASP QB . . 5.890 4.444 4.164 4.624 . 0 0 "[ . 1 . 2]" 1
2107 1 48 ILE H 1 109 TYR H . . 5.680 4.607 4.482 4.759 . 0 0 "[ . 1 . 2]" 1
2108 1 48 ILE H 1 109 TYR QD . . 5.520 4.159 3.899 4.358 . 0 0 "[ . 1 . 2]" 1
2109 1 48 ILE H 1 48 ILE HG12 . . 5.710 4.141 4.068 4.183 . 0 0 "[ . 1 . 2]" 1
2110 1 48 ILE H 1 48 ILE HG13 . . 5.680 3.333 3.207 3.394 . 0 0 "[ . 1 . 2]" 1
2111 1 48 ILE H 1 49 VAL H . . 5.770 4.272 4.242 4.346 . 0 0 "[ . 1 . 2]" 1
2112 1 48 ILE H 1 49 VAL QG . . 5.650 3.401 3.319 3.535 . 0 0 "[ . 1 . 2]" 1
2113 1 48 ILE H 1 60 VAL HA . . 5.910 5.011 4.907 5.052 . 0 0 "[ . 1 . 2]" 1
2114 1 48 ILE H 1 97 LEU QD . . 5.490 3.701 3.638 3.809 . 0 0 "[ . 1 . 2]" 1
2115 1 48 ILE H 1 99 VAL QG . . 5.590 3.905 3.762 4.033 . 0 0 "[ . 1 . 2]" 1
2116 1 48 ILE HA 1 109 TYR QE . . 5.920 5.592 5.310 5.797 . 0 0 "[ . 1 . 2]" 1
2117 1 48 ILE HA 1 49 VAL H . . 4.900 2.203 2.185 2.257 . 0 0 "[ . 1 . 2]" 1
2118 1 48 ILE HA 1 49 VAL QG . . 5.390 3.434 3.309 3.722 . 0 0 "[ . 1 . 2]" 1
2119 1 48 ILE HA 1 59 MET H . . 5.930 4.266 4.191 4.357 . 0 0 "[ . 1 . 2]" 1
2120 1 48 ILE HA 1 60 VAL H . . 5.850 4.885 4.821 4.941 . 0 0 "[ . 1 . 2]" 1
2121 1 48 ILE HA 1 60 VAL HA . . 5.350 2.650 2.514 2.712 . 0 0 "[ . 1 . 2]" 1
2122 1 48 ILE HA 1 60 VAL HB . . 5.930 5.487 5.310 5.567 . 0 0 "[ . 1 . 2]" 1
2123 1 48 ILE HA 1 60 VAL QG . . 5.630 3.204 3.024 3.322 . 0 0 "[ . 1 . 2]" 1
2124 1 48 ILE HA 1 61 GLU H . . 5.430 4.008 3.840 4.076 . 0 0 "[ . 1 . 2]" 1
2125 1 48 ILE HA 1 97 LEU QD . . 5.440 3.849 3.756 4.011 . 0 0 "[ . 1 . 2]" 1
2126 1 48 ILE HB 1 106 THR HA . . 5.930 4.895 4.272 5.387 . 0 0 "[ . 1 . 2]" 1
2127 1 48 ILE HB 1 107 TRP H . . 5.750 3.993 3.439 4.416 . 0 0 "[ . 1 . 2]" 1
2128 1 48 ILE HB 1 107 TRP HA . . 5.930 5.645 5.398 5.923 . 0 0 "[ . 1 . 2]" 1
2129 1 48 ILE HB 1 107 TRP HB2 . . 5.840 4.200 4.020 4.513 . 0 0 "[ . 1 . 2]" 1
2130 1 48 ILE HB 1 107 TRP HB3 . . 5.720 2.952 2.808 3.274 . 0 0 "[ . 1 . 2]" 1
2131 1 48 ILE HB 1 49 VAL H . . 5.680 4.141 3.997 4.195 . 0 0 "[ . 1 . 2]" 1
2132 1 48 ILE HG12 1 109 TYR QD . . 5.890 4.946 4.719 5.136 . 0 0 "[ . 1 . 2]" 1
2133 1 48 ILE HG12 1 49 VAL H . . 5.800 4.225 4.111 4.307 . 0 0 "[ . 1 . 2]" 1
2134 1 48 ILE HG12 1 60 VAL H . . 5.920 5.286 5.141 5.561 . 0 0 "[ . 1 . 2]" 1
2135 1 48 ILE HG12 1 60 VAL HA . . 5.720 2.609 2.471 2.871 . 0 0 "[ . 1 . 2]" 1
2136 1 48 ILE HG12 1 60 VAL QG . . 5.470 2.013 1.955 2.111 . 0 0 "[ . 1 . 2]" 1
2137 1 48 ILE HG12 1 61 GLU H . . 5.620 3.676 3.541 3.845 . 0 0 "[ . 1 . 2]" 1
2138 1 48 ILE HG13 1 109 TYR H . . 5.860 5.399 5.251 5.525 . 0 0 "[ . 1 . 2]" 1
2139 1 48 ILE HG13 1 109 TYR QD . . 5.520 3.211 2.988 3.396 . 0 0 "[ . 1 . 2]" 1
2140 1 48 ILE HG13 1 60 VAL HA . . 5.670 3.929 3.774 4.180 . 0 0 "[ . 1 . 2]" 1
2141 1 48 ILE HG13 1 60 VAL QG . . 5.700 3.041 2.955 3.266 . 0 0 "[ . 1 . 2]" 1
2142 1 48 ILE MD 1 107 TRP HB3 . . 5.830 4.296 3.866 4.581 . 0 0 "[ . 1 . 2]" 1
2143 1 48 ILE MD 1 109 TYR QD . . 5.720 3.859 3.735 4.005 . 0 0 "[ . 1 . 2]" 1
2144 1 48 ILE MD 1 49 VAL H . . 5.840 4.832 4.703 4.935 . 0 0 "[ . 1 . 2]" 1
2145 1 48 ILE MD 1 60 VAL HB . . 5.800 5.053 4.878 5.328 . 0 0 "[ . 1 . 2]" 1
2146 1 48 ILE MD 1 60 VAL MG1 . . 5.320 2.889 2.746 3.156 . 0 0 "[ . 1 . 2]" 1
2147 1 48 ILE MD 1 60 VAL MG2 . . 5.320 2.705 2.545 2.920 . 0 0 "[ . 1 . 2]" 1
2148 1 48 ILE MD 1 60 VAL QG . . 5.080 2.482 2.345 2.688 . 0 0 "[ . 1 . 2]" 1
2149 1 48 ILE MG 1 107 TRP HB3 . . 5.770 4.201 4.056 4.430 . 0 0 "[ . 1 . 2]" 1
2150 1 48 ILE MG 1 49 VAL H . . 5.100 2.457 2.284 2.546 . 0 0 "[ . 1 . 2]" 1
2151 1 48 ILE MG 1 49 VAL HB . . 5.920 4.925 4.515 5.106 . 0 0 "[ . 1 . 2]" 1
2152 1 48 ILE MG 1 49 VAL QG . . 5.790 3.751 3.671 3.919 . 0 0 "[ . 1 . 2]" 1
2153 1 48 ILE MG 1 50 ILE H . . 5.810 4.604 4.535 4.712 . 0 0 "[ . 1 . 2]" 1
2154 1 48 ILE MG 1 50 ILE HG13 . . 5.410 3.042 2.904 3.144 . 0 0 "[ . 1 . 2]" 1
2155 1 48 ILE MG 1 58 ALA HA . . 5.860 4.768 4.667 4.846 . 0 0 "[ . 1 . 2]" 1
2156 1 48 ILE MG 1 59 MET H . . 5.620 3.443 3.347 3.572 . 0 0 "[ . 1 . 2]" 1
2157 1 48 ILE MG 1 60 VAL HA . . 5.710 3.716 3.623 3.829 . 0 0 "[ . 1 . 2]" 1
2158 1 48 ILE MG 1 60 VAL QG . . 5.100 2.561 2.347 2.713 . 0 0 "[ . 1 . 2]" 1
2159 1 48 ILE MG 1 61 GLU H . . 5.860 5.265 5.158 5.354 . 0 0 "[ . 1 . 2]" 1
2160 1 49 VAL H 1 106 THR HA . . 5.800 4.871 4.640 5.207 . 0 0 "[ . 1 . 2]" 1
2161 1 49 VAL H 1 107 TRP H . . 5.850 5.069 4.934 5.297 . 0 0 "[ . 1 . 2]" 1
2162 1 49 VAL H 1 50 ILE H . . 5.750 4.434 4.377 4.472 . 0 0 "[ . 1 . 2]" 1
2163 1 49 VAL H 1 50 ILE HG13 . . 5.800 4.284 4.061 4.419 . 0 0 "[ . 1 . 2]" 1
2164 1 49 VAL H 1 51 PHE QR . . 5.870 5.408 5.205 5.657 . 0 0 "[ . 1 . 2]" 1
2165 1 49 VAL H 1 58 ALA HA . . 5.880 4.651 4.482 4.741 . 0 0 "[ . 1 . 2]" 1
2166 1 49 VAL H 1 58 ALA MB . . 5.760 3.970 3.710 4.092 . 0 0 "[ . 1 . 2]" 1
2167 1 49 VAL H 1 59 MET H . . 5.350 2.676 2.492 2.780 . 0 0 "[ . 1 . 2]" 1
2168 1 49 VAL H 1 59 MET HA . . 5.830 4.817 4.688 4.895 . 0 0 "[ . 1 . 2]" 1
2169 1 49 VAL H 1 59 MET HG3 . . 5.930 5.326 5.174 5.547 . 0 0 "[ . 1 . 2]" 1
2170 1 49 VAL H 1 59 MET QB . . 5.390 3.127 3.014 3.329 . 0 0 "[ . 1 . 2]" 1
2171 1 49 VAL H 1 60 VAL H . . 5.880 5.182 5.088 5.266 . 0 0 "[ . 1 . 2]" 1
2172 1 49 VAL H 1 60 VAL HA . . 5.590 4.117 3.997 4.220 . 0 0 "[ . 1 . 2]" 1
2173 1 49 VAL H 1 60 VAL QG . . 5.720 4.033 3.794 4.182 . 0 0 "[ . 1 . 2]" 1
2174 1 49 VAL H 1 61 GLU H . . 6.000 5.873 5.663 5.947 . 0 0 "[ . 1 . 2]" 1
2175 1 49 VAL H 1 97 LEU MD1 . . 5.690 4.016 3.865 4.351 . 0 0 "[ . 1 . 2]" 1
2176 1 49 VAL H 1 97 LEU MD2 . . 5.690 4.972 4.849 5.324 . 0 0 "[ . 1 . 2]" 1
2177 1 49 VAL H 1 97 LEU QD . . 5.230 3.855 3.724 4.158 . 0 0 "[ . 1 . 2]" 1
2178 1 49 VAL H 1 99 VAL QG . . 5.920 5.512 5.409 5.751 . 0 0 "[ . 1 . 2]" 1
2179 1 49 VAL HA 1 105 ASP HA . . 5.830 4.969 4.656 5.309 . 0 0 "[ . 1 . 2]" 1
2180 1 49 VAL HA 1 106 THR H . . 5.720 4.826 4.730 4.962 . 0 0 "[ . 1 . 2]" 1
2181 1 49 VAL HA 1 106 THR HA . . 5.290 2.277 2.142 2.482 . 0 0 "[ . 1 . 2]" 1
2182 1 49 VAL HA 1 106 THR HB . . 5.720 3.370 2.677 4.077 . 0 0 "[ . 1 . 2]" 1
2183 1 49 VAL HA 1 106 THR MG . . 5.460 3.116 2.305 3.824 . 0 0 "[ . 1 . 2]" 1
2184 1 49 VAL HA 1 107 TRP H . . 5.390 3.527 3.403 3.668 . 0 0 "[ . 1 . 2]" 1
2185 1 49 VAL HA 1 50 ILE H . . 5.140 2.404 2.338 2.453 . 0 0 "[ . 1 . 2]" 1
2186 1 49 VAL HA 1 50 ILE HG13 . . 5.610 3.249 3.121 3.523 . 0 0 "[ . 1 . 2]" 1
2187 1 49 VAL HA 1 59 MET H . . 5.930 4.718 4.569 4.787 . 0 0 "[ . 1 . 2]" 1
2188 1 49 VAL HA 1 99 VAL QG . . 5.800 4.725 4.600 4.806 . 0 0 "[ . 1 . 2]" 1
2189 1 49 VAL HB 1 106 THR HA . . 5.750 4.050 3.522 5.294 . 0 0 "[ . 1 . 2]" 1
2190 1 49 VAL HB 1 106 THR HB . . 5.930 3.780 2.643 5.920 . 0 0 "[ . 1 . 2]" 1
2191 1 49 VAL HB 1 106 THR MG . . 5.820 3.327 2.132 5.607 . 0 0 "[ . 1 . 2]" 1
2192 1 49 VAL HB 1 107 TRP H . . 5.930 5.032 4.644 5.838 . 0 0 "[ . 1 . 2]" 1
2193 1 49 VAL HB 1 50 ILE H . . 5.680 2.845 2.418 3.997 . 0 0 "[ . 1 . 2]" 1
2194 1 49 VAL HB 1 50 ILE HG13 . . 5.930 5.019 4.797 5.477 . 0 0 "[ . 1 . 2]" 1
2195 1 49 VAL HB 1 51 PHE QD . . 5.570 4.357 4.140 4.806 . 0 0 "[ . 1 . 2]" 1
2196 1 49 VAL HB 1 51 PHE QE . . 5.930 4.757 3.697 5.138 . 0 0 "[ . 1 . 2]" 1
2197 1 49 VAL HB 1 59 MET H . . 5.690 4.892 3.371 5.387 . 0 0 "[ . 1 . 2]" 1
2198 1 49 VAL HB 1 59 MET QB . . 5.870 4.310 2.223 5.015 . 0 0 "[ . 1 . 2]" 1
2199 1 49 VAL HB 1 97 LEU MD1 . . 5.670 4.140 3.035 4.577 . 0 0 "[ . 1 . 2]" 1
2200 1 49 VAL HB 1 97 LEU MD2 . . 5.670 3.798 3.001 4.078 . 0 0 "[ . 1 . 2]" 1
2201 1 49 VAL HB 1 99 VAL MG1 . . 6.000 5.150 4.630 6.042 0.042 7 0 "[ . 1 . 2]" 1
2202 1 49 VAL HB 1 99 VAL MG2 . . 5.930 4.998 4.588 5.282 . 0 0 "[ . 1 . 2]" 1
2203 1 49 VAL MG1 1 106 THR HA . . 5.570 3.155 2.607 4.116 . 0 0 "[ . 1 . 2]" 1
2204 1 49 VAL MG1 1 106 THR HB . . 5.700 2.626 2.052 3.850 . 0 0 "[ . 1 . 2]" 1
2205 1 49 VAL MG1 1 107 TRP H . . 5.830 3.344 2.602 5.220 . 0 0 "[ . 1 . 2]" 1
2206 1 49 VAL MG1 1 50 ILE H . . 5.700 3.465 2.083 3.998 . 0 0 "[ . 1 . 2]" 1
2207 1 49 VAL MG1 1 51 PHE QE . . 5.620 4.557 2.767 5.339 . 0 0 "[ . 1 . 2]" 1
2208 1 49 VAL MG1 1 59 MET H . . 5.780 4.684 3.934 5.012 . 0 0 "[ . 1 . 2]" 1
2209 1 49 VAL MG1 1 97 LEU MD1 . . 5.670 2.500 1.983 3.985 . 0 0 "[ . 1 . 2]" 1
2210 1 49 VAL MG1 1 97 LEU MD2 . . 5.670 2.407 2.075 3.133 . 0 0 "[ . 1 . 2]" 1
2211 1 49 VAL MG1 1 99 VAL HA . . 5.930 4.524 4.053 5.914 . 0 0 "[ . 1 . 2]" 1
2212 1 49 VAL MG2 1 106 THR HA . . 5.570 4.387 2.818 4.873 . 0 0 "[ . 1 . 2]" 1
2213 1 49 VAL MG2 1 106 THR HB . . 5.700 4.056 2.056 5.014 . 0 0 "[ . 1 . 2]" 1
2214 1 49 VAL MG2 1 107 TRP H . . 5.830 4.776 2.926 5.432 . 0 0 "[ . 1 . 2]" 1
2215 1 49 VAL MG2 1 50 ILE H . . 5.700 3.314 2.986 3.826 . 0 0 "[ . 1 . 2]" 1
2216 1 49 VAL MG2 1 51 PHE QE . . 5.620 3.197 2.459 5.026 . 0 0 "[ . 1 . 2]" 1
2217 1 49 VAL MG2 1 59 MET H . . 5.780 3.622 3.111 4.960 . 0 0 "[ . 1 . 2]" 1
2218 1 49 VAL MG2 1 97 LEU MD1 . . 5.670 2.609 1.994 3.105 . 0 0 "[ . 1 . 2]" 1
2219 1 49 VAL MG2 1 97 LEU MD2 . . 5.670 2.223 1.962 2.419 . 0 0 "[ . 1 . 2]" 1
2220 1 49 VAL MG2 1 99 VAL HA . . 5.930 5.589 4.169 6.021 0.091 16 0 "[ . 1 . 2]" 1
2221 1 49 VAL QG 1 106 THR HA . . 5.350 2.922 2.596 3.287 . 0 0 "[ . 1 . 2]" 1
2222 1 49 VAL QG 1 106 THR HB . . 5.540 2.340 2.039 2.832 . 0 0 "[ . 1 . 2]" 1
2223 1 49 VAL QG 1 106 THR MG . . 5.070 2.962 2.044 3.385 . 0 0 "[ . 1 . 2]" 1
2224 1 49 VAL QG 1 107 TRP H . . 5.540 2.886 2.596 3.435 . 0 0 "[ . 1 . 2]" 1
2225 1 49 VAL QG 1 108 ASP HA . . 5.920 5.380 5.243 5.708 . 0 0 "[ . 1 . 2]" 1
2226 1 49 VAL QG 1 50 ILE H . . 5.410 2.813 2.072 3.120 . 0 0 "[ . 1 . 2]" 1
2227 1 49 VAL QG 1 51 PHE H . . 5.790 4.557 4.161 4.753 . 0 0 "[ . 1 . 2]" 1
2228 1 49 VAL QG 1 51 PHE HB3 . . 5.740 4.391 3.699 4.740 . 0 0 "[ . 1 . 2]" 1
2229 1 49 VAL QG 1 51 PHE HZ . . 5.920 4.497 4.152 4.984 . 0 0 "[ . 1 . 2]" 1
2230 1 49 VAL QG 1 51 PHE QD . . 5.500 2.752 2.221 3.117 . 0 0 "[ . 1 . 2]" 1
2231 1 49 VAL QG 1 51 PHE QE . . 5.440 2.730 2.452 3.174 . 0 0 "[ . 1 . 2]" 1
2232 1 49 VAL QG 1 58 ALA HA . . 5.880 3.989 3.851 4.325 . 0 0 "[ . 1 . 2]" 1
2233 1 49 VAL QG 1 59 MET H . . 5.590 3.355 3.074 4.045 . 0 0 "[ . 1 . 2]" 1
2234 1 49 VAL QG 1 59 MET HG2 . . 5.920 3.563 3.207 4.324 . 0 0 "[ . 1 . 2]" 1
2235 1 49 VAL QG 1 59 MET HG3 . . 5.780 3.272 2.944 4.074 . 0 0 "[ . 1 . 2]" 1
2236 1 49 VAL QG 1 59 MET QB . . 5.550 2.409 2.049 3.422 . 0 0 "[ . 1 . 2]" 1
2237 1 49 VAL QG 1 60 VAL H . . 6.000 5.270 5.016 5.997 . 0 0 "[ . 1 . 2]" 1
2238 1 49 VAL QG 1 97 LEU H . . 5.980 5.664 5.489 5.842 . 0 0 "[ . 1 . 2]" 1
2239 1 49 VAL QG 1 97 LEU HG . . 5.490 3.802 3.673 3.986 . 0 0 "[ . 1 . 2]" 1
2240 1 49 VAL QG 1 97 LEU QD . . 4.890 1.778 1.728 1.824 . 0 0 "[ . 1 . 2]" 1
2241 1 49 VAL QG 1 99 VAL H . . 5.860 4.790 4.638 4.978 . 0 0 "[ . 1 . 2]" 1
2242 1 49 VAL QG 1 99 VAL HA . . 5.730 4.114 3.991 4.366 . 0 0 "[ . 1 . 2]" 1
2243 1 49 VAL QG 1 99 VAL QG . . 4.870 2.482 2.372 2.669 . 0 0 "[ . 1 . 2]" 1
2244 1 50 ILE H 1 105 ASP HA . . 5.560 4.282 3.936 4.447 . 0 0 "[ . 1 . 2]" 1
2245 1 50 ILE H 1 105 ASP HB2 . . 5.850 5.186 4.986 5.498 . 0 0 "[ . 1 . 2]" 1
2246 1 50 ILE H 1 105 ASP HB3 . . 5.670 3.684 3.460 4.060 . 0 0 "[ . 1 . 2]" 1
2247 1 50 ILE H 1 106 THR H . . 5.830 5.236 4.994 5.435 . 0 0 "[ . 1 . 2]" 1
2248 1 50 ILE H 1 106 THR HA . . 5.500 3.742 3.631 3.867 . 0 0 "[ . 1 . 2]" 1
2249 1 50 ILE H 1 106 THR HB . . 5.920 4.466 3.981 4.970 . 0 0 "[ . 1 . 2]" 1
2250 1 50 ILE H 1 106 THR MG . . 5.430 2.717 1.985 3.468 . 0 0 "[ . 1 . 2]" 1
2251 1 50 ILE H 1 50 ILE HG12 . . 5.590 3.978 3.918 4.039 . 0 0 "[ . 1 . 2]" 1
2252 1 50 ILE H 1 50 ILE HG13 . . 5.510 2.979 2.873 3.061 . 0 0 "[ . 1 . 2]" 1
2253 1 50 ILE H 1 50 ILE MD . . 5.700 4.215 4.135 4.281 . 0 0 "[ . 1 . 2]" 1
2254 1 50 ILE H 1 51 PHE H . . 5.720 4.405 4.360 4.442 . 0 0 "[ . 1 . 2]" 1
2255 1 50 ILE H 1 51 PHE QR . . 5.910 4.208 3.986 4.371 . 0 0 "[ . 1 . 2]" 1
2256 1 50 ILE H 1 58 ALA HA . . 5.770 4.672 4.503 4.760 . 0 0 "[ . 1 . 2]" 1
2257 1 50 ILE H 1 59 MET H . . 5.900 4.972 4.827 5.043 . 0 0 "[ . 1 . 2]" 1
2258 1 50 ILE HA 1 51 PHE H . . 4.980 2.223 2.213 2.235 . 0 0 "[ . 1 . 2]" 1
2259 1 50 ILE HA 1 51 PHE HA . . 5.720 4.416 4.400 4.430 . 0 0 "[ . 1 . 2]" 1
2260 1 50 ILE HA 1 51 PHE QD . . 5.760 4.242 4.029 4.357 . 0 0 "[ . 1 . 2]" 1
2261 1 50 ILE HA 1 51 PHE QE . . 5.870 4.942 4.774 5.041 . 0 0 "[ . 1 . 2]" 1
2262 1 50 ILE HA 1 52 ARG QD . . 5.900 5.358 4.861 5.910 0.010 4 0 "[ . 1 . 2]" 1
2263 1 50 ILE HA 1 57 GLN H . . 5.880 4.993 4.841 5.188 . 0 0 "[ . 1 . 2]" 1
2264 1 50 ILE HA 1 58 ALA H . . 5.830 4.730 4.626 4.787 . 0 0 "[ . 1 . 2]" 1
2265 1 50 ILE HA 1 58 ALA HA . . 5.210 2.034 1.984 2.066 . 0 0 "[ . 1 . 2]" 1
2266 1 50 ILE HA 1 58 ALA MB . . 5.340 2.918 2.820 3.025 . 0 0 "[ . 1 . 2]" 1
2267 1 50 ILE HA 1 59 MET H . . 5.380 3.610 3.540 3.695 . 0 0 "[ . 1 . 2]" 1
2268 1 50 ILE HB 1 105 ASP H . . 5.900 5.453 5.235 5.817 . 0 0 "[ . 1 . 2]" 1
2269 1 50 ILE HB 1 105 ASP HA . . 5.280 2.729 2.387 3.012 . 0 0 "[ . 1 . 2]" 1
2270 1 50 ILE HB 1 105 ASP HB2 . . 5.870 4.414 4.016 4.884 . 0 0 "[ . 1 . 2]" 1
2271 1 50 ILE HB 1 105 ASP HB3 . . 5.630 2.846 2.347 3.296 . 0 0 "[ . 1 . 2]" 1
2272 1 50 ILE HB 1 106 THR H . . 5.930 5.404 5.196 5.706 . 0 0 "[ . 1 . 2]" 1
2273 1 50 ILE HB 1 106 THR MG . . 5.930 4.137 3.688 4.613 . 0 0 "[ . 1 . 2]" 1
2274 1 50 ILE HB 1 51 PHE H . . 5.680 4.058 4.023 4.106 . 0 0 "[ . 1 . 2]" 1
2275 1 50 ILE HB 1 52 ARG QD . . 5.850 5.127 4.354 5.935 0.085 4 0 "[ . 1 . 2]" 1
2276 1 50 ILE HB 1 58 ALA MB . . 5.620 4.496 4.450 4.553 . 0 0 "[ . 1 . 2]" 1
2277 1 50 ILE HG12 1 105 ASP HA . . 5.790 4.649 4.518 4.913 . 0 0 "[ . 1 . 2]" 1
2278 1 50 ILE HG12 1 51 PHE H . . 5.810 4.310 4.238 4.365 . 0 0 "[ . 1 . 2]" 1
2279 1 50 ILE HG12 1 58 ALA HA . . 5.610 3.184 3.019 3.355 . 0 0 "[ . 1 . 2]" 1
2280 1 50 ILE HG12 1 58 ALA MB . . 5.290 2.122 2.052 2.204 . 0 0 "[ . 1 . 2]" 1
2281 1 50 ILE HG13 1 105 ASP H . . 5.930 5.960 5.789 6.072 0.142 6 0 "[ . 1 . 2]" 1
2282 1 50 ILE HG13 1 105 ASP HA . . 5.670 3.369 3.156 3.705 . 0 0 "[ . 1 . 2]" 1
2283 1 50 ILE HG13 1 51 PHE H . . 5.890 5.098 5.064 5.134 . 0 0 "[ . 1 . 2]" 1
2284 1 50 ILE HG13 1 58 ALA HA . . 5.730 4.350 4.242 4.504 . 0 0 "[ . 1 . 2]" 1
2285 1 50 ILE HG13 1 59 MET H . . 5.760 4.595 4.487 4.694 . 0 0 "[ . 1 . 2]" 1
2286 1 50 ILE MD 1 104 GLN HA . . 5.660 4.966 4.642 5.281 . 0 0 "[ . 1 . 2]" 1
2287 1 50 ILE MD 1 104 GLN HG2 . . 6.000 6.021 5.973 6.060 0.060 10 0 "[ . 1 . 2]" 1
2288 1 50 ILE MD 1 104 GLN HG3 . . 6.000 4.740 4.694 4.786 . 0 0 "[ . 1 . 2]" 1
2289 1 50 ILE MD 1 105 ASP H . . 5.820 4.746 4.699 4.791 . 0 0 "[ . 1 . 2]" 1
2290 1 50 ILE MD 1 105 ASP HA . . 5.220 2.226 2.102 2.355 . 0 0 "[ . 1 . 2]" 1
2291 1 50 ILE MD 1 105 ASP HB2 . . 5.930 4.827 4.532 5.058 . 0 0 "[ . 1 . 2]" 1
2292 1 50 ILE MD 1 105 ASP HB3 . . 5.880 4.026 3.628 4.312 . 0 0 "[ . 1 . 2]" 1
2293 1 50 ILE MD 1 51 PHE H . . 5.900 4.889 4.840 4.946 . 0 0 "[ . 1 . 2]" 1
2294 1 50 ILE MG 1 105 ASP HA . . 5.790 3.800 3.566 4.036 . 0 0 "[ . 1 . 2]" 1
2295 1 50 ILE MG 1 105 ASP HB3 . . 5.880 4.058 3.620 4.505 . 0 0 "[ . 1 . 2]" 1
2296 1 50 ILE MG 1 51 PHE H . . 5.120 2.405 2.357 2.454 . 0 0 "[ . 1 . 2]" 1
2297 1 50 ILE MG 1 51 PHE HA . . 5.710 3.270 3.208 3.352 . 0 0 "[ . 1 . 2]" 1
2298 1 50 ILE MG 1 51 PHE HB2 . . 5.930 5.157 5.108 5.197 . 0 0 "[ . 1 . 2]" 1
2299 1 50 ILE MG 1 51 PHE HB3 . . 5.930 4.788 4.728 4.840 . 0 0 "[ . 1 . 2]" 1
2300 1 50 ILE MG 1 52 ARG HA . . 5.870 4.908 4.787 5.143 . 0 0 "[ . 1 . 2]" 1
2301 1 50 ILE MG 1 52 ARG HD2 . . 5.690 3.708 2.437 4.514 . 0 0 "[ . 1 . 2]" 1
2302 1 50 ILE MG 1 52 ARG HD3 . . 5.690 3.003 2.858 3.591 . 0 0 "[ . 1 . 2]" 1
2303 1 50 ILE MG 1 52 ARG QB . . 5.900 5.015 4.837 5.119 . 0 0 "[ . 1 . 2]" 1
2304 1 50 ILE MG 1 52 ARG QD . . 5.480 2.821 2.319 3.458 . 0 0 "[ . 1 . 2]" 1
2305 1 50 ILE MG 1 52 ARG QG . . 5.780 3.691 3.406 3.793 . 0 0 "[ . 1 . 2]" 1
2306 1 50 ILE MG 1 52 ARG QH1 . . 5.490 3.376 2.790 4.427 . 0 0 "[ . 1 . 2]" 1
2307 1 50 ILE MG 1 56 VAL HA . . 5.710 4.577 4.447 4.806 . 0 0 "[ . 1 . 2]" 1
2308 1 50 ILE MG 1 57 GLN H . . 5.610 3.653 3.567 3.805 . 0 0 "[ . 1 . 2]" 1
2309 1 50 ILE MG 1 57 GLN HA . . 5.850 4.793 4.678 4.988 . 0 0 "[ . 1 . 2]" 1
2310 1 50 ILE MG 1 58 ALA H . . 5.790 4.770 4.637 4.941 . 0 0 "[ . 1 . 2]" 1
2311 1 50 ILE MG 1 58 ALA HA . . 5.480 3.392 3.290 3.497 . 0 0 "[ . 1 . 2]" 1
2312 1 50 ILE MG 1 59 MET H . . 5.750 5.106 5.010 5.223 . 0 0 "[ . 1 . 2]" 1
2313 1 51 PHE H 1 51 PHE QD . . 5.350 3.360 3.301 3.423 . 0 0 "[ . 1 . 2]" 1
2314 1 51 PHE H 1 51 PHE QR . . 5.220 3.273 3.223 3.332 . 0 0 "[ . 1 . 2]" 1
2315 1 51 PHE H 1 52 ARG H . . 5.760 4.486 4.473 4.499 . 0 0 "[ . 1 . 2]" 1
2316 1 51 PHE H 1 52 ARG HA . . 5.850 4.917 4.887 4.961 . 0 0 "[ . 1 . 2]" 1
2317 1 51 PHE H 1 52 ARG QD . . 5.650 3.859 3.587 4.260 . 0 0 "[ . 1 . 2]" 1
2318 1 51 PHE H 1 52 ARG QG . . 5.900 4.681 4.406 4.838 . 0 0 "[ . 1 . 2]" 1
2319 1 51 PHE H 1 56 VAL HA . . 5.930 4.996 4.881 5.195 . 0 0 "[ . 1 . 2]" 1
2320 1 51 PHE H 1 56 VAL MG1 . . 5.900 4.805 4.712 4.970 . 0 0 "[ . 1 . 2]" 1
2321 1 51 PHE H 1 57 GLN H . . 5.490 3.279 3.169 3.410 . 0 0 "[ . 1 . 2]" 1
2322 1 51 PHE H 1 57 GLN HA . . 5.920 4.950 4.886 4.990 . 0 0 "[ . 1 . 2]" 1
2323 1 51 PHE H 1 58 ALA HA . . 5.360 3.110 2.932 3.210 . 0 0 "[ . 1 . 2]" 1
2324 1 51 PHE H 1 58 ALA MB . . 5.770 4.013 3.838 4.122 . 0 0 "[ . 1 . 2]" 1
2325 1 51 PHE H 1 59 MET H . . 5.840 5.288 5.182 5.402 . 0 0 "[ . 1 . 2]" 1
2326 1 51 PHE HA 1 52 ARG H . . 4.990 2.336 2.294 2.370 . 0 0 "[ . 1 . 2]" 1
2327 1 51 PHE HA 1 52 ARG HA . . 5.750 4.367 4.342 4.427 . 0 0 "[ . 1 . 2]" 1
2328 1 51 PHE HA 1 52 ARG HE . . 5.930 3.863 3.585 4.478 . 0 0 "[ . 1 . 2]" 1
2329 1 51 PHE HA 1 52 ARG QB . . 5.900 4.360 4.156 4.441 . 0 0 "[ . 1 . 2]" 1
2330 1 51 PHE HA 1 52 ARG QD . . 5.850 3.429 2.424 4.198 . 0 0 "[ . 1 . 2]" 1
2331 1 51 PHE HA 1 52 ARG QG . . 5.690 3.181 2.870 4.261 . 0 0 "[ . 1 . 2]" 1
2332 1 51 PHE HA 1 53 LYS H . . 5.710 4.159 4.043 4.353 . 0 0 "[ . 1 . 2]" 1
2333 1 51 PHE HA 1 57 GLN H . . 5.890 4.946 4.914 4.994 . 0 0 "[ . 1 . 2]" 1
2334 1 51 PHE HB2 1 52 ARG H . . 5.290 2.406 2.347 2.482 . 0 0 "[ . 1 . 2]" 1
2335 1 51 PHE HB2 1 52 ARG HA . . 5.840 4.441 4.285 4.504 . 0 0 "[ . 1 . 2]" 1
2336 1 51 PHE HB2 1 53 LYS H . . 5.470 2.577 2.499 2.728 . 0 0 "[ . 1 . 2]" 1
2337 1 51 PHE HB2 1 53 LYS HG2 . . 5.690 2.992 2.763 3.269 . 0 0 "[ . 1 . 2]" 1
2338 1 51 PHE HB2 1 53 LYS HG3 . . 5.850 4.746 4.527 5.014 . 0 0 "[ . 1 . 2]" 1
2339 1 51 PHE HB2 1 57 GLN HB2 . . 5.930 5.026 4.790 5.186 . 0 0 "[ . 1 . 2]" 1
2340 1 51 PHE HB3 1 106 THR MG . . 6.000 5.679 5.142 6.030 0.030 18 0 "[ . 1 . 2]" 1
2341 1 51 PHE HB3 1 52 ARG H . . 5.480 3.388 3.365 3.425 . 0 0 "[ . 1 . 2]" 1
2342 1 51 PHE HB3 1 52 ARG QG . . 5.900 5.066 4.783 5.989 0.089 6 0 "[ . 1 . 2]" 1
2343 1 51 PHE HB3 1 53 LYS H . . 5.690 4.282 4.188 4.462 . 0 0 "[ . 1 . 2]" 1
2344 1 51 PHE HB3 1 53 LYS HB3 . . 5.930 4.836 4.687 5.022 . 0 0 "[ . 1 . 2]" 1
2345 1 51 PHE HB3 1 53 LYS HG2 . . 5.910 4.632 4.410 4.906 . 0 0 "[ . 1 . 2]" 1
2346 1 51 PHE HZ 1 59 MET HG2 . . 5.770 2.574 2.447 2.737 . 0 0 "[ . 1 . 2]" 1
2347 1 51 PHE HZ 1 59 MET ME . . 5.210 3.546 3.300 3.808 . 0 0 "[ . 1 . 2]" 1
2348 1 51 PHE QD 1 106 THR MG . . 5.940 5.341 4.660 5.856 . 0 0 "[ . 1 . 2]" 1
2349 1 51 PHE QD 1 52 ARG H . . 5.710 4.023 3.904 4.118 . 0 0 "[ . 1 . 2]" 1
2350 1 51 PHE QD 1 52 ARG HA . . 5.710 4.328 3.991 4.521 . 0 0 "[ . 1 . 2]" 1
2351 1 51 PHE QD 1 53 LYS H . . 5.520 3.299 3.200 3.390 . 0 0 "[ . 1 . 2]" 1
2352 1 51 PHE QD 1 53 LYS HG2 . . 5.580 2.886 2.712 3.089 . 0 0 "[ . 1 . 2]" 1
2353 1 51 PHE QD 1 53 LYS HG3 . . 5.900 4.347 4.157 4.607 . 0 0 "[ . 1 . 2]" 1
2354 1 51 PHE QD 1 53 LYS QD . . 5.860 4.110 3.871 4.243 . 0 0 "[ . 1 . 2]" 1
2355 1 51 PHE QD 1 53 LYS QE . . 5.900 3.337 3.156 3.555 . 0 0 "[ . 1 . 2]" 1
2356 1 51 PHE QD 1 57 GLN H . . 5.790 3.807 3.693 3.934 . 0 0 "[ . 1 . 2]" 1
2357 1 51 PHE QD 1 57 GLN HA . . 5.930 5.322 5.237 5.437 . 0 0 "[ . 1 . 2]" 1
2358 1 51 PHE QD 1 57 GLN HG2 . . 5.930 4.451 4.332 4.623 . 0 0 "[ . 1 . 2]" 1
2359 1 51 PHE QD 1 58 ALA HA . . 5.860 4.664 4.546 4.767 . 0 0 "[ . 1 . 2]" 1
2360 1 51 PHE QD 1 59 MET HG2 . . 5.930 4.523 4.323 4.717 . 0 0 "[ . 1 . 2]" 1
2361 1 51 PHE QE 1 57 GLN HA . . 5.930 5.129 5.073 5.231 . 0 0 "[ . 1 . 2]" 1
2362 1 51 PHE QE 1 57 GLN HB2 . . 5.410 2.329 2.258 2.454 . 0 0 "[ . 1 . 2]" 1
2363 1 51 PHE QE 1 58 ALA HA . . 5.770 4.536 4.439 4.673 . 0 0 "[ . 1 . 2]" 1
2364 1 51 PHE QE 1 59 MET H . . 5.730 4.861 4.690 4.993 . 0 0 "[ . 1 . 2]" 1
2365 1 51 PHE QE 1 59 MET HA . . 5.930 5.422 5.299 5.525 . 0 0 "[ . 1 . 2]" 1
2366 1 51 PHE QE 1 59 MET HG2 . . 5.520 2.923 2.604 3.117 . 0 0 "[ . 1 . 2]" 1
2367 1 51 PHE QE 1 59 MET HG3 . . 5.340 2.312 2.200 2.428 . 0 0 "[ . 1 . 2]" 1
2368 1 51 PHE QE 1 59 MET QB . . 5.780 3.635 3.452 3.773 . 0 0 "[ . 1 . 2]" 1
2369 1 51 PHE QE 1 59 MET ME . . 5.760 3.895 3.713 4.113 . 0 0 "[ . 1 . 2]" 1
2370 1 51 PHE QR 1 52 ARG H . . 5.720 3.975 3.861 4.067 . 0 0 "[ . 1 . 2]" 1
2371 1 51 PHE QR 1 53 LYS H . . 5.490 3.273 3.176 3.363 . 0 0 "[ . 1 . 2]" 1
2372 1 51 PHE QR 1 54 ASN H . . 5.870 4.251 4.069 4.410 . 0 0 "[ . 1 . 2]" 1
2373 1 51 PHE QR 1 57 GLN H . . 5.710 3.692 3.594 3.799 . 0 0 "[ . 1 . 2]" 1
2374 1 51 PHE QR 1 58 ALA H . . 5.750 4.465 4.312 4.618 . 0 0 "[ . 1 . 2]" 1
2375 1 51 PHE QR 1 59 MET H . . 5.730 4.586 4.450 4.689 . 0 0 "[ . 1 . 2]" 1
2376 1 52 ARG H 1 52 ARG HD2 . . 5.840 4.733 4.409 5.037 . 0 0 "[ . 1 . 2]" 1
2377 1 52 ARG H 1 52 ARG HD3 . . 5.590 3.492 2.756 3.955 . 0 0 "[ . 1 . 2]" 1
2378 1 52 ARG H 1 52 ARG QD . . 5.370 3.400 2.730 3.819 . 0 0 "[ . 1 . 2]" 1
2379 1 52 ARG H 1 53 LYS H . . 5.250 2.305 2.246 2.431 . 0 0 "[ . 1 . 2]" 1
2380 1 52 ARG H 1 53 LYS HA . . 5.720 4.113 4.094 4.152 . 0 0 "[ . 1 . 2]" 1
2381 1 52 ARG H 1 53 LYS HB3 . . 5.820 3.866 3.782 3.959 . 0 0 "[ . 1 . 2]" 1
2382 1 52 ARG H 1 53 LYS QE . . 5.930 5.850 5.752 5.928 . 0 0 "[ . 1 . 2]" 1
2383 1 52 ARG H 1 57 GLN H . . 5.900 5.111 4.977 5.155 . 0 0 "[ . 1 . 2]" 1
2384 1 52 ARG HA 1 52 ARG HD2 . . 5.640 3.532 3.136 4.316 . 0 0 "[ . 1 . 2]" 1
2385 1 52 ARG HA 1 52 ARG HD3 . . 5.640 2.739 2.136 3.601 . 0 0 "[ . 1 . 2]" 1
2386 1 52 ARG HA 1 52 ARG HE . . 5.930 4.851 4.329 4.976 . 0 0 "[ . 1 . 2]" 1
2387 1 52 ARG HA 1 52 ARG QH1 . . 5.910 4.966 4.703 5.659 . 0 0 "[ . 1 . 2]" 1
2388 1 52 ARG HA 1 53 LYS H . . 5.230 3.076 2.881 3.156 . 0 0 "[ . 1 . 2]" 1
2389 1 52 ARG HA 1 53 LYS HA . . 5.860 4.822 4.734 4.853 . 0 0 "[ . 1 . 2]" 1
2390 1 52 ARG HA 1 54 ASN H . . 5.720 3.847 3.583 3.951 . 0 0 "[ . 1 . 2]" 1
2391 1 52 ARG HA 1 55 GLY H . . 5.560 3.251 3.046 3.344 . 0 0 "[ . 1 . 2]" 1
2392 1 52 ARG HA 1 56 VAL HA . . 5.380 2.622 2.559 2.674 . 0 0 "[ . 1 . 2]" 1
2393 1 52 ARG HA 1 56 VAL MG1 . . 5.770 4.093 3.951 4.176 . 0 0 "[ . 1 . 2]" 1
2394 1 52 ARG HA 1 56 VAL MG2 . . 5.520 3.564 3.393 3.809 . 0 0 "[ . 1 . 2]" 1
2395 1 52 ARG HA 1 57 GLN H . . 5.570 3.468 3.233 3.574 . 0 0 "[ . 1 . 2]" 1
2396 1 52 ARG HB2 1 53 LYS HA . . 5.930 4.332 4.141 4.842 . 0 0 "[ . 1 . 2]" 1
2397 1 52 ARG HB2 1 56 VAL HA . . 5.930 5.227 4.691 5.396 . 0 0 "[ . 1 . 2]" 1
2398 1 52 ARG HB2 1 56 VAL MG2 . . 5.720 4.835 4.438 5.056 . 0 0 "[ . 1 . 2]" 1
2399 1 52 ARG HB3 1 53 LYS HA . . 5.930 5.169 5.026 5.247 . 0 0 "[ . 1 . 2]" 1
2400 1 52 ARG HB3 1 56 VAL HA . . 5.930 4.029 3.668 4.180 . 0 0 "[ . 1 . 2]" 1
2401 1 52 ARG HB3 1 56 VAL MG2 . . 5.720 3.371 3.190 3.615 . 0 0 "[ . 1 . 2]" 1
2402 1 52 ARG HD2 1 56 VAL HA . . 5.830 3.687 3.069 4.204 . 0 0 "[ . 1 . 2]" 1
2403 1 52 ARG HD2 1 56 VAL MG2 . . 5.820 3.042 2.185 4.414 . 0 0 "[ . 1 . 2]" 1
2404 1 52 ARG HD3 1 56 VAL HA . . 5.830 3.234 2.195 4.559 . 0 0 "[ . 1 . 2]" 1
2405 1 52 ARG HD3 1 56 VAL MG2 . . 5.820 3.725 2.961 5.032 . 0 0 "[ . 1 . 2]" 1
2406 1 52 ARG HE 1 56 VAL HA . . 5.930 5.500 3.884 5.962 0.032 14 0 "[ . 1 . 2]" 1
2407 1 52 ARG HE 1 56 VAL MG1 . . 5.790 4.470 2.685 5.146 . 0 0 "[ . 1 . 2]" 1
2408 1 52 ARG HE 1 56 VAL MG2 . . 5.780 5.225 4.152 5.386 . 0 0 "[ . 1 . 2]" 1
2409 1 52 ARG QB 1 55 GLY H . . 5.660 4.113 3.845 4.239 . 0 0 "[ . 1 . 2]" 1
2410 1 52 ARG QB 1 56 VAL H . . 5.900 5.759 5.403 5.901 0.001 12 0 "[ . 1 . 2]" 1
2411 1 52 ARG QB 1 56 VAL HA . . 5.790 3.902 3.544 4.037 . 0 0 "[ . 1 . 2]" 1
2412 1 52 ARG QB 1 56 VAL MG1 . . 5.900 4.364 3.983 4.565 . 0 0 "[ . 1 . 2]" 1
2413 1 52 ARG QB 1 57 GLN H . . 5.900 5.086 4.689 5.220 . 0 0 "[ . 1 . 2]" 1
2414 1 52 ARG QD 1 56 VAL HA . . 5.690 3.000 2.150 3.881 . 0 0 "[ . 1 . 2]" 1
2415 1 52 ARG QD 1 56 VAL MG1 . . 5.830 2.642 2.363 3.020 . 0 0 "[ . 1 . 2]" 1
2416 1 52 ARG QD 1 56 VAL MG2 . . 5.630 2.910 2.131 4.146 . 0 0 "[ . 1 . 2]" 1
2417 1 52 ARG QD 1 57 GLN H . . 5.900 3.415 2.908 3.893 . 0 0 "[ . 1 . 2]" 1
2418 1 52 ARG QG 1 56 VAL HA . . 5.730 4.178 2.056 4.794 . 0 0 "[ . 1 . 2]" 1
2419 1 52 ARG QG 1 56 VAL MG2 . . 5.550 3.921 2.313 4.416 . 0 0 "[ . 1 . 2]" 1
2420 1 52 ARG QG 1 57 GLN H . . 5.900 4.704 2.847 5.266 . 0 0 "[ . 1 . 2]" 1
2421 1 53 LYS H 1 53 LYS HG2 . . 5.190 2.046 1.977 2.094 . 0 0 "[ . 1 . 2]" 1
2422 1 53 LYS H 1 53 LYS HG3 . . 5.580 3.244 3.154 3.361 . 0 0 "[ . 1 . 2]" 1
2423 1 53 LYS H 1 53 LYS QD . . 5.760 3.725 3.614 3.780 . 0 0 "[ . 1 . 2]" 1
2424 1 53 LYS H 1 53 LYS QE . . 5.670 4.247 4.154 4.315 . 0 0 "[ . 1 . 2]" 1
2425 1 53 LYS H 1 54 ASN H . . 5.260 2.809 2.710 2.865 . 0 0 "[ . 1 . 2]" 1
2426 1 53 LYS H 1 54 ASN QB . . 6.000 4.993 4.885 5.062 . 0 0 "[ . 1 . 2]" 1
2427 1 53 LYS HA 1 53 LYS QE . . 5.910 5.444 5.420 5.461 . 0 0 "[ . 1 . 2]" 1
2428 1 53 LYS HA 1 54 ASN HA . . 5.780 4.535 4.516 4.559 . 0 0 "[ . 1 . 2]" 1
2429 1 53 LYS HA 1 54 ASN HD21 . . 5.930 6.021 5.992 6.044 0.114 12 0 "[ . 1 . 2]" 1
2430 1 53 LYS HB2 1 54 ASN H . . 5.700 3.956 3.932 4.001 . 0 0 "[ . 1 . 2]" 1
2431 1 53 LYS HB2 1 54 ASN HA . . 5.890 4.866 4.840 4.913 . 0 0 "[ . 1 . 2]" 1
2432 1 53 LYS HB2 1 54 ASN HD21 . . 5.830 4.575 4.524 4.637 . 0 0 "[ . 1 . 2]" 1
2433 1 53 LYS HB2 1 54 ASN HD22 . . 5.870 4.137 4.075 4.233 . 0 0 "[ . 1 . 2]" 1
2434 1 53 LYS HB2 1 55 GLY H . . 5.930 5.612 5.583 5.640 . 0 0 "[ . 1 . 2]" 1
2435 1 53 LYS HB3 1 54 ASN H . . 5.560 4.164 4.124 4.190 . 0 0 "[ . 1 . 2]" 1
2436 1 53 LYS HB3 1 54 ASN HD21 . . 5.860 5.530 5.490 5.563 . 0 0 "[ . 1 . 2]" 1
2437 1 53 LYS HD2 1 54 ASN H . . 5.930 4.956 4.914 5.043 . 0 0 "[ . 1 . 2]" 1
2438 1 53 LYS HD3 1 54 ASN H . . 5.930 5.120 5.020 5.175 . 0 0 "[ . 1 . 2]" 1
2439 1 53 LYS HG2 1 54 ASN HD22 . . 5.910 4.748 4.650 4.844 . 0 0 "[ . 1 . 2]" 1
2440 1 53 LYS HG3 1 54 ASN H . . 5.650 2.531 2.481 2.632 . 0 0 "[ . 1 . 2]" 1
2441 1 53 LYS HG3 1 54 ASN HA . . 5.830 4.161 4.107 4.208 . 0 0 "[ . 1 . 2]" 1
2442 1 53 LYS HG3 1 54 ASN HD21 . . 5.890 2.552 2.497 2.596 . 0 0 "[ . 1 . 2]" 1
2443 1 53 LYS HG3 1 54 ASN HD22 . . 5.850 3.064 2.975 3.144 . 0 0 "[ . 1 . 2]" 1
2444 1 53 LYS HG3 1 57 GLN HE21 . . 5.930 4.837 4.733 5.092 . 0 0 "[ . 1 . 2]" 1
2445 1 53 LYS QD 1 54 ASN H . . 5.810 4.483 4.458 4.515 . 0 0 "[ . 1 . 2]" 1
2446 1 53 LYS QD 1 54 ASN HD21 . . 5.720 3.704 3.605 3.861 . 0 0 "[ . 1 . 2]" 1
2447 1 53 LYS QD 1 54 ASN HD22 . . 5.750 3.366 3.215 3.611 . 0 0 "[ . 1 . 2]" 1
2448 1 53 LYS QD 1 57 GLN HE21 . . 5.930 5.974 5.925 6.002 0.072 5 0 "[ . 1 . 2]" 1
2449 1 53 LYS QE 1 54 ASN HB2 . . 5.930 3.872 3.779 3.958 . 0 0 "[ . 1 . 2]" 1
2450 1 53 LYS QE 1 54 ASN HD21 . . 5.810 2.329 2.214 2.484 . 0 0 "[ . 1 . 2]" 1
2451 1 53 LYS QE 1 54 ASN HD22 . . 5.930 2.911 2.710 3.156 . 0 0 "[ . 1 . 2]" 1
2452 1 53 LYS QE 1 57 GLN HB2 . . 5.920 5.011 4.836 5.201 . 0 0 "[ . 1 . 2]" 1
2453 1 54 ASN H 1 54 ASN HD21 . . 5.760 3.890 3.837 3.928 . 0 0 "[ . 1 . 2]" 1
2454 1 54 ASN H 1 54 ASN HD22 . . 5.840 4.809 4.763 4.854 . 0 0 "[ . 1 . 2]" 1
2455 1 54 ASN H 1 55 GLY H . . 5.430 2.024 1.960 2.078 . 0 0 "[ . 1 . 2]" 1
2456 1 54 ASN H 1 55 GLY QA . . 5.800 3.984 3.966 4.004 . 0 0 "[ . 1 . 2]" 1
2457 1 54 ASN H 1 57 GLN HE21 . . 5.930 4.436 4.268 4.710 . 0 0 "[ . 1 . 2]" 1
2458 1 54 ASN HA 1 55 GLY H . . 5.280 3.202 3.168 3.258 . 0 0 "[ . 1 . 2]" 1
2459 1 54 ASN HA 1 55 GLY QA . . 5.710 4.183 4.163 4.204 . 0 0 "[ . 1 . 2]" 1
2460 1 54 ASN HB2 1 55 GLY H . . 5.780 3.809 3.703 3.866 . 0 0 "[ . 1 . 2]" 1
2461 1 54 ASN HB2 1 55 GLY QA . . 5.830 4.382 4.311 4.425 . 0 0 "[ . 1 . 2]" 1
2462 1 54 ASN HB2 1 57 GLN HE21 . . 5.910 3.426 3.230 3.686 . 0 0 "[ . 1 . 2]" 1
2463 1 54 ASN HB3 1 55 GLY H . . 5.800 4.382 4.346 4.408 . 0 0 "[ . 1 . 2]" 1
2464 1 54 ASN HD21 1 57 GLN HE22 . . 5.720 3.363 3.288 3.479 . 0 0 "[ . 1 . 2]" 1
2465 1 54 ASN QB 1 55 GLY H . . 5.620 3.588 3.508 3.632 . 0 0 "[ . 1 . 2]" 1
2466 1 55 GLY H 1 56 VAL H . . 5.730 4.041 4.011 4.063 . 0 0 "[ . 1 . 2]" 1
2467 1 55 GLY H 1 56 VAL HA . . 5.830 4.306 4.241 4.341 . 0 0 "[ . 1 . 2]" 1
2468 1 55 GLY H 1 56 VAL MG2 . . 5.790 4.428 4.374 4.456 . 0 0 "[ . 1 . 2]" 1
2469 1 55 GLY QA 1 56 VAL H . . 5.330 2.157 2.146 2.182 . 0 0 "[ . 1 . 2]" 1
2470 1 55 GLY QA 1 56 VAL HA . . 5.910 4.031 4.013 4.048 . 0 0 "[ . 1 . 2]" 1
2471 1 55 GLY QA 1 56 VAL HB . . 5.730 4.437 4.386 4.533 . 0 0 "[ . 1 . 2]" 1
2472 1 55 GLY QA 1 56 VAL MG1 . . 5.880 4.992 4.976 5.004 . 0 0 "[ . 1 . 2]" 1
2473 1 55 GLY QA 1 56 VAL MG2 . . 5.390 3.169 3.119 3.199 . 0 0 "[ . 1 . 2]" 1
2474 1 55 GLY QA 1 57 GLN HG3 . . 5.890 4.498 4.394 4.586 . 0 0 "[ . 1 . 2]" 1
2475 1 56 VAL H 1 57 GLN H . . 5.630 4.088 4.051 4.160 . 0 0 "[ . 1 . 2]" 1
2476 1 56 VAL H 1 57 GLN HG2 . . 5.760 4.866 4.756 4.980 . 0 0 "[ . 1 . 2]" 1
2477 1 56 VAL H 1 57 GLN HG3 . . 5.690 3.342 3.204 3.483 . 0 0 "[ . 1 . 2]" 1
2478 1 56 VAL HA 1 57 GLN H . . 5.070 2.142 2.123 2.157 . 0 0 "[ . 1 . 2]" 1
2479 1 56 VAL HA 1 57 GLN HA . . 5.780 4.424 4.412 4.436 . 0 0 "[ . 1 . 2]" 1
2480 1 56 VAL HA 1 57 GLN HG2 . . 5.930 5.668 5.588 5.710 . 0 0 "[ . 1 . 2]" 1
2481 1 56 VAL HB 1 57 GLN H . . 5.870 4.339 4.275 4.371 . 0 0 "[ . 1 . 2]" 1
2482 1 56 VAL MG1 1 57 GLN H . . 5.220 2.937 2.825 2.988 . 0 0 "[ . 1 . 2]" 1
2483 1 56 VAL MG2 1 57 GLN H . . 5.710 4.163 4.136 4.206 . 0 0 "[ . 1 . 2]" 1
2484 1 56 VAL MG2 1 57 GLN HG3 . . 5.930 5.442 5.358 5.497 . 0 0 "[ . 1 . 2]" 1
2485 1 57 GLN H 1 57 GLN HG2 . . 5.750 4.540 4.518 4.568 . 0 0 "[ . 1 . 2]" 1
2486 1 57 GLN H 1 57 GLN HG3 . . 5.580 3.543 3.461 3.615 . 0 0 "[ . 1 . 2]" 1
2487 1 57 GLN H 1 58 ALA H . . 5.740 4.420 4.407 4.429 . 0 0 "[ . 1 . 2]" 1
2488 1 57 GLN HA 1 57 GLN HE21 . . 5.900 5.482 5.384 5.504 . 0 0 "[ . 1 . 2]" 1
2489 1 57 GLN HA 1 58 ALA H . . 5.120 2.392 2.366 2.408 . 0 0 "[ . 1 . 2]" 1
2490 1 57 GLN HA 1 58 ALA HA . . 5.880 4.556 4.542 4.582 . 0 0 "[ . 1 . 2]" 1
2491 1 57 GLN HB2 1 58 ALA H . . 5.540 3.350 3.279 3.387 . 0 0 "[ . 1 . 2]" 1
2492 1 57 GLN HB3 1 58 ALA H . . 5.350 2.345 2.261 2.408 . 0 0 "[ . 1 . 2]" 1
2493 1 57 GLN HG3 1 58 ALA H . . 5.810 4.447 4.388 4.497 . 0 0 "[ . 1 . 2]" 1
2494 1 58 ALA H 1 59 MET H . . 5.750 4.397 4.376 4.408 . 0 0 "[ . 1 . 2]" 1
2495 1 58 ALA H 1 59 MET HA . . 5.830 4.667 4.612 4.704 . 0 0 "[ . 1 . 2]" 1
2496 1 58 ALA H 1 60 VAL QG . . 5.920 5.608 5.506 5.713 . 0 0 "[ . 1 . 2]" 1
2497 1 58 ALA HA 1 59 MET H . . 5.050 2.456 2.420 2.493 . 0 0 "[ . 1 . 2]" 1
2498 1 58 ALA HA 1 59 MET HA . . 5.720 4.515 4.495 4.540 . 0 0 "[ . 1 . 2]" 1
2499 1 58 ALA HA 1 59 MET HG3 . . 5.930 4.935 4.864 5.060 . 0 0 "[ . 1 . 2]" 1
2500 1 58 ALA MB 1 59 MET H . . 5.230 2.417 2.360 2.465 . 0 0 "[ . 1 . 2]" 1
2501 1 58 ALA MB 1 59 MET HA . . 5.670 4.037 4.013 4.056 . 0 0 "[ . 1 . 2]" 1
2502 1 58 ALA MB 1 60 VAL HA . . 5.930 5.590 5.496 5.681 . 0 0 "[ . 1 . 2]" 1
2503 1 58 ALA MB 1 60 VAL QG . . 5.480 3.498 3.392 3.593 . 0 0 "[ . 1 . 2]" 1
2504 1 59 MET H 1 59 MET HG2 . . 5.560 3.036 2.888 3.166 . 0 0 "[ . 1 . 2]" 1
2505 1 59 MET H 1 59 MET HG3 . . 5.680 4.148 4.067 4.245 . 0 0 "[ . 1 . 2]" 1
2506 1 59 MET H 1 59 MET ME . . 5.930 5.155 5.062 5.212 . 0 0 "[ . 1 . 2]" 1
2507 1 59 MET H 1 60 VAL H . . 5.760 4.445 4.427 4.460 . 0 0 "[ . 1 . 2]" 1
2508 1 59 MET H 1 60 VAL HA . . 5.890 4.861 4.807 4.893 . 0 0 "[ . 1 . 2]" 1
2509 1 59 MET H 1 60 VAL QG . . 5.660 3.781 3.722 3.820 . 0 0 "[ . 1 . 2]" 1
2510 1 59 MET H 1 97 LEU MD1 . . 5.890 5.542 5.429 5.710 . 0 0 "[ . 1 . 2]" 1
2511 1 59 MET H 1 97 LEU MD2 . . 5.890 5.957 5.924 6.006 0.116 7 0 "[ . 1 . 2]" 1
2512 1 59 MET H 1 97 LEU QD . . 5.720 5.098 5.030 5.195 . 0 0 "[ . 1 . 2]" 1
2513 1 59 MET HA 1 60 VAL H . . 5.000 2.306 2.277 2.330 . 0 0 "[ . 1 . 2]" 1
2514 1 59 MET HA 1 60 VAL HA . . 5.750 4.485 4.478 4.493 . 0 0 "[ . 1 . 2]" 1
2515 1 59 MET HA 1 60 VAL HB . . 5.890 4.534 4.486 4.561 . 0 0 "[ . 1 . 2]" 1
2516 1 59 MET HA 1 60 VAL QG . . 5.550 3.283 3.229 3.338 . 0 0 "[ . 1 . 2]" 1
2517 1 59 MET HA 1 92 ALA MB . . 5.920 4.950 4.752 5.104 . 0 0 "[ . 1 . 2]" 1
2518 1 59 MET HA 1 97 LEU QD . . 5.920 5.553 5.403 5.641 . 0 0 "[ . 1 . 2]" 1
2519 1 59 MET HG2 1 60 VAL H . . 5.730 4.881 4.764 5.002 . 0 0 "[ . 1 . 2]" 1
2520 1 59 MET HG2 1 92 ALA MB . . 5.820 5.549 5.317 5.758 . 0 0 "[ . 1 . 2]" 1
2521 1 59 MET HG3 1 60 VAL H . . 5.850 5.127 5.040 5.180 . 0 0 "[ . 1 . 2]" 1
2522 1 59 MET HG3 1 92 ALA MB . . 5.770 5.025 4.855 5.113 . 0 0 "[ . 1 . 2]" 1
2523 1 59 MET HG3 1 97 LEU MD1 . . 5.930 5.100 4.892 5.298 . 0 0 "[ . 1 . 2]" 1
2524 1 59 MET HG3 1 97 LEU MD2 . . 5.930 4.321 4.093 4.600 . 0 0 "[ . 1 . 2]" 1
2525 1 59 MET HG3 1 97 LEU QD . . 5.710 4.099 3.897 4.298 . 0 0 "[ . 1 . 2]" 1
2526 1 59 MET QB 1 60 VAL H . . 5.340 2.667 2.579 2.723 . 0 0 "[ . 1 . 2]" 1
2527 1 59 MET QB 1 61 GLU H . . 5.930 5.390 5.290 5.509 . 0 0 "[ . 1 . 2]" 1
2528 1 59 MET QB 1 97 LEU MD1 . . 5.550 3.561 3.401 3.718 . 0 0 "[ . 1 . 2]" 1
2529 1 59 MET QB 1 97 LEU MD2 . . 5.550 3.743 3.616 3.881 . 0 0 "[ . 1 . 2]" 1
2530 1 59 MET QB 1 97 LEU QD . . 5.350 3.245 3.115 3.316 . 0 0 "[ . 1 . 2]" 1
2531 1 59 MET ME 1 60 VAL H . . 5.930 3.672 3.425 3.821 . 0 0 "[ . 1 . 2]" 1
2532 1 59 MET ME 1 92 ALA MB . . 5.070 1.901 1.864 1.932 . 0 0 "[ . 1 . 2]" 1
2533 1 59 MET ME 1 93 LYS H . . 5.620 4.024 3.741 4.213 . 0 0 "[ . 1 . 2]" 1
2534 1 59 MET ME 1 94 PRO QD . . 5.430 3.052 2.778 3.249 . 0 0 "[ . 1 . 2]" 1
2535 1 60 VAL H 1 61 GLU H . . 5.680 4.386 4.366 4.408 . 0 0 "[ . 1 . 2]" 1
2536 1 60 VAL H 1 61 GLU HA . . 5.920 4.799 4.764 4.841 . 0 0 "[ . 1 . 2]" 1
2537 1 60 VAL H 1 97 LEU QD . . 5.920 5.212 5.047 5.298 . 0 0 "[ . 1 . 2]" 1
2538 1 60 VAL HA 1 61 GLU H . . 5.030 2.239 2.209 2.269 . 0 0 "[ . 1 . 2]" 1
2539 1 60 VAL HA 1 61 GLU QB . . 5.800 3.965 3.906 4.039 . 0 0 "[ . 1 . 2]" 1
2540 1 60 VAL HA 1 62 PHE QD . . 5.930 5.895 5.675 5.953 0.023 1 0 "[ . 1 . 2]" 1
2541 1 60 VAL HA 1 62 PHE QE . . 5.930 5.656 5.412 5.782 . 0 0 "[ . 1 . 2]" 1
2542 1 60 VAL HA 1 97 LEU QD . . 5.460 4.589 4.474 4.662 . 0 0 "[ . 1 . 2]" 1
2543 1 60 VAL HB 1 61 GLU H . . 5.880 3.944 3.880 4.023 . 0 0 "[ . 1 . 2]" 1
2544 1 60 VAL HB 1 61 GLU HA . . 5.930 4.686 4.637 4.775 . 0 0 "[ . 1 . 2]" 1
2545 1 60 VAL HB 1 62 PHE QE . . 5.590 3.370 3.073 3.484 . 0 0 "[ . 1 . 2]" 1
2546 1 60 VAL QG 1 109 TYR QD . . 5.920 5.117 4.982 5.313 . 0 0 "[ . 1 . 2]" 1
2547 1 60 VAL QG 1 61 GLU H . . 5.290 2.295 2.208 2.386 . 0 0 "[ . 1 . 2]" 1
2548 1 60 VAL QG 1 61 GLU HA . . 5.570 3.576 3.524 3.638 . 0 0 "[ . 1 . 2]" 1
2549 1 60 VAL QG 1 61 GLU QB . . 5.920 4.000 3.954 4.036 . 0 0 "[ . 1 . 2]" 1
2550 1 60 VAL QG 1 62 PHE H . . 5.760 4.271 4.156 4.356 . 0 0 "[ . 1 . 2]" 1
2551 1 60 VAL QG 1 62 PHE HA . . 5.760 4.233 4.135 4.314 . 0 0 "[ . 1 . 2]" 1
2552 1 60 VAL QG 1 62 PHE HZ . . 5.390 3.132 2.963 3.262 . 0 0 "[ . 1 . 2]" 1
2553 1 60 VAL QG 1 62 PHE QD . . 5.370 3.224 3.063 3.301 . 0 0 "[ . 1 . 2]" 1
2554 1 60 VAL QG 1 62 PHE QE . . 5.390 2.640 2.449 2.743 . 0 0 "[ . 1 . 2]" 1
2555 1 60 VAL QG 1 71 ALA MB . . 5.670 4.051 3.949 4.172 . 0 0 "[ . 1 . 2]" 1
2556 1 61 GLU H 1 61 GLU HG2 . . 5.770 4.330 4.287 4.472 . 0 0 "[ . 1 . 2]" 1
2557 1 61 GLU H 1 61 GLU HG3 . . 5.750 4.705 4.668 4.742 . 0 0 "[ . 1 . 2]" 1
2558 1 61 GLU H 1 62 PHE HA . . 5.930 4.793 4.728 4.835 . 0 0 "[ . 1 . 2]" 1
2559 1 61 GLU H 1 62 PHE QD . . 5.930 4.841 4.652 5.000 . 0 0 "[ . 1 . 2]" 1
2560 1 61 GLU H 1 97 LEU QD . . 5.200 4.668 4.460 4.790 . 0 0 "[ . 1 . 2]" 1
2561 1 61 GLU HA 1 62 PHE H . . 5.070 2.131 2.108 2.164 . 0 0 "[ . 1 . 2]" 1
2562 1 61 GLU HA 1 62 PHE HA . . 5.860 4.362 4.349 4.377 . 0 0 "[ . 1 . 2]" 1
2563 1 61 GLU HA 1 62 PHE HB2 . . 5.810 4.291 4.261 4.313 . 0 0 "[ . 1 . 2]" 1
2564 1 61 GLU HA 1 62 PHE QD . . 5.740 3.658 3.572 3.830 . 0 0 "[ . 1 . 2]" 1
2565 1 61 GLU QB 1 62 PHE H . . 5.770 3.676 3.629 3.725 . 0 0 "[ . 1 . 2]" 1
2566 1 61 GLU QB 1 97 LEU HB2 . . 5.800 5.021 4.544 5.187 . 0 0 "[ . 1 . 2]" 1
2567 1 61 GLU QB 1 97 LEU HG . . 5.840 4.491 4.348 4.600 . 0 0 "[ . 1 . 2]" 1
2568 1 61 GLU QB 1 97 LEU QD . . 5.270 3.285 3.023 3.453 . 0 0 "[ . 1 . 2]" 1
2569 1 61 GLU QB 1 97 LEU H . . 6.000 5.092 4.731 5.274 . 0 0 "[ . 1 . 2]" 1
2570 1 61 GLU HG2 1 62 PHE H . . 6.000 3.053 2.954 3.252 . 0 0 "[ . 1 . 2]" 1
2571 1 61 GLU HG2 1 97 LEU QD . . 6.000 5.350 5.096 5.534 . 0 0 "[ . 1 . 2]" 1
2572 1 61 GLU HG3 1 62 PHE H . . 5.580 2.709 2.584 2.862 . 0 0 "[ . 1 . 2]" 1
2573 1 61 GLU HG3 1 62 PHE HA . . 6.000 4.896 4.797 5.056 . 0 0 "[ . 1 . 2]" 1
2574 1 61 GLU HG3 1 97 LEU QD . . 6.000 5.453 5.124 5.683 . 0 0 "[ . 1 . 2]" 1
2575 1 62 PHE H 1 62 PHE QD . . 5.170 3.051 2.940 3.133 . 0 0 "[ . 1 . 2]" 1
2576 1 62 PHE H 1 63 ASP H . . 5.800 4.600 4.588 4.622 . 0 0 "[ . 1 . 2]" 1
2577 1 62 PHE H 1 63 ASP HA . . 5.930 5.407 5.327 5.458 . 0 0 "[ . 1 . 2]" 1
2578 1 62 PHE H 1 64 SER H . . 5.860 4.724 4.634 4.785 . 0 0 "[ . 1 . 2]" 1
2579 1 62 PHE H 1 67 SER QB . . 5.900 5.439 5.305 5.600 . 0 0 "[ . 1 . 2]" 1
2580 1 62 PHE H 1 68 ALA HA . . 5.930 5.637 5.426 5.934 0.004 2 0 "[ . 1 . 2]" 1
2581 1 62 PHE H 1 68 ALA MB . . 5.560 3.898 3.797 4.029 . 0 0 "[ . 1 . 2]" 1
2582 1 62 PHE HA 1 62 PHE QE . . 5.780 4.508 4.477 4.539 . 0 0 "[ . 1 . 2]" 1
2583 1 62 PHE HA 1 63 ASP H . . 5.100 2.369 2.350 2.393 . 0 0 "[ . 1 . 2]" 1
2584 1 62 PHE HA 1 63 ASP HA . . 5.700 4.310 4.284 4.332 . 0 0 "[ . 1 . 2]" 1
2585 1 62 PHE HA 1 63 ASP HB2 . . 5.880 4.290 4.262 4.343 . 0 0 "[ . 1 . 2]" 1
2586 1 62 PHE HA 1 63 ASP HB3 . . 5.920 4.889 4.824 4.942 . 0 0 "[ . 1 . 2]" 1
2587 1 62 PHE HA 1 64 SER H . . 5.670 3.922 3.861 3.991 . 0 0 "[ . 1 . 2]" 1
2588 1 62 PHE HA 1 67 SER QB . . 5.770 4.346 4.222 4.478 . 0 0 "[ . 1 . 2]" 1
2589 1 62 PHE HB2 1 63 ASP H . . 5.650 3.802 3.768 3.834 . 0 0 "[ . 1 . 2]" 1
2590 1 62 PHE HB2 1 63 ASP HA . . 5.930 5.445 5.364 5.512 . 0 0 "[ . 1 . 2]" 1
2591 1 62 PHE HB2 1 64 SER H . . 5.500 3.223 3.113 3.276 . 0 0 "[ . 1 . 2]" 1
2592 1 62 PHE HB2 1 67 SER H . . 5.880 5.023 4.863 5.222 . 0 0 "[ . 1 . 2]" 1
2593 1 62 PHE HB2 1 67 SER QB . . 5.630 3.331 3.200 3.475 . 0 0 "[ . 1 . 2]" 1
2594 1 62 PHE HB2 1 68 ALA H . . 5.440 3.668 3.531 3.795 . 0 0 "[ . 1 . 2]" 1
2595 1 62 PHE HB2 1 68 ALA HA . . 5.830 3.841 3.671 4.025 . 0 0 "[ . 1 . 2]" 1
2596 1 62 PHE HB2 1 68 ALA MB . . 5.470 2.441 2.326 2.528 . 0 0 "[ . 1 . 2]" 1
2597 1 62 PHE HB3 1 63 ASP H . . 5.150 2.402 2.359 2.438 . 0 0 "[ . 1 . 2]" 1
2598 1 62 PHE HB3 1 63 ASP HA . . 5.800 4.650 4.627 4.680 . 0 0 "[ . 1 . 2]" 1
2599 1 62 PHE HB3 1 63 ASP HB2 . . 5.930 4.759 4.672 4.838 . 0 0 "[ . 1 . 2]" 1
2600 1 62 PHE HB3 1 64 SER H . . 5.210 2.197 2.135 2.271 . 0 0 "[ . 1 . 2]" 1
2601 1 62 PHE HB3 1 65 VAL HA . . 5.930 5.399 5.313 5.554 . 0 0 "[ . 1 . 2]" 1
2602 1 62 PHE HB3 1 67 SER H . . 5.710 4.376 4.238 4.520 . 0 0 "[ . 1 . 2]" 1
2603 1 62 PHE HB3 1 67 SER HB2 . . 5.720 2.306 2.143 2.449 . 0 0 "[ . 1 . 2]" 1
2604 1 62 PHE HB3 1 67 SER HB3 . . 5.720 3.249 3.075 3.477 . 0 0 "[ . 1 . 2]" 1
2605 1 62 PHE HB3 1 67 SER QB . . 5.500 2.260 2.104 2.402 . 0 0 "[ . 1 . 2]" 1
2606 1 62 PHE HB3 1 68 ALA H . . 5.480 3.889 3.780 3.995 . 0 0 "[ . 1 . 2]" 1
2607 1 62 PHE HB3 1 68 ALA MB . . 5.630 3.677 3.528 3.813 . 0 0 "[ . 1 . 2]" 1
2608 1 62 PHE HZ 1 68 ALA HA . . 5.860 4.738 4.603 4.852 . 0 0 "[ . 1 . 2]" 1
2609 1 62 PHE HZ 1 71 ALA H . . 5.870 5.451 5.350 5.541 . 0 0 "[ . 1 . 2]" 1
2610 1 62 PHE HZ 1 71 ALA HA . . 5.780 4.869 4.721 5.000 . 0 0 "[ . 1 . 2]" 1
2611 1 62 PHE HZ 1 71 ALA MB . . 5.170 2.593 2.486 2.665 . 0 0 "[ . 1 . 2]" 1
2612 1 62 PHE HZ 1 75 LEU MD1 . . 5.650 3.743 3.621 3.898 . 0 0 "[ . 1 . 2]" 1
2613 1 62 PHE QD 1 63 ASP H . . 5.230 3.040 2.963 3.147 . 0 0 "[ . 1 . 2]" 1
2614 1 62 PHE QD 1 64 SER H . . 5.650 4.098 4.021 4.212 . 0 0 "[ . 1 . 2]" 1
2615 1 62 PHE QD 1 67 SER H . . 5.900 5.284 5.223 5.394 . 0 0 "[ . 1 . 2]" 1
2616 1 62 PHE QD 1 67 SER HA . . 5.860 4.929 4.838 5.051 . 0 0 "[ . 1 . 2]" 1
2617 1 62 PHE QD 1 67 SER HB2 . . 5.570 3.135 3.066 3.239 . 0 0 "[ . 1 . 2]" 1
2618 1 62 PHE QD 1 67 SER HB3 . . 5.570 2.612 2.491 2.778 . 0 0 "[ . 1 . 2]" 1
2619 1 62 PHE QD 1 67 SER QB . . 5.360 2.488 2.396 2.627 . 0 0 "[ . 1 . 2]" 1
2620 1 62 PHE QD 1 68 ALA H . . 5.700 4.368 4.259 4.462 . 0 0 "[ . 1 . 2]" 1
2621 1 62 PHE QD 1 68 ALA HA . . 5.460 3.017 2.822 3.382 . 0 0 "[ . 1 . 2]" 1
2622 1 62 PHE QD 1 68 ALA MB . . 5.200 2.732 2.560 2.862 . 0 0 "[ . 1 . 2]" 1
2623 1 62 PHE QE 1 63 ASP H . . 5.890 5.315 5.250 5.414 . 0 0 "[ . 1 . 2]" 1
2624 1 62 PHE QE 1 67 SER HA . . 5.930 5.315 5.192 5.401 . 0 0 "[ . 1 . 2]" 1
2625 1 62 PHE QE 1 67 SER QB . . 5.900 3.428 3.281 3.563 . 0 0 "[ . 1 . 2]" 1
2626 1 62 PHE QE 1 68 ALA HA . . 5.610 3.439 3.360 3.624 . 0 0 "[ . 1 . 2]" 1
2627 1 62 PHE QE 1 68 ALA MB . . 5.640 4.134 4.010 4.280 . 0 0 "[ . 1 . 2]" 1
2628 1 62 PHE QE 1 71 ALA H . . 5.820 5.111 5.007 5.292 . 0 0 "[ . 1 . 2]" 1
2629 1 62 PHE QE 1 71 ALA HA . . 5.890 5.203 5.106 5.347 . 0 0 "[ . 1 . 2]" 1
2630 1 62 PHE QE 1 71 ALA MB . . 5.150 2.690 2.575 2.903 . 0 0 "[ . 1 . 2]" 1
2631 1 62 PHE QE 1 72 LYS H . . 5.930 5.392 5.266 5.627 . 0 0 "[ . 1 . 2]" 1
2632 1 63 ASP H 1 64 SER H . . 5.140 2.486 2.436 2.530 . 0 0 "[ . 1 . 2]" 1
2633 1 63 ASP H 1 64 SER HA . . 5.930 5.156 5.122 5.202 . 0 0 "[ . 1 . 2]" 1
2634 1 63 ASP H 1 64 SER QB . . 5.880 4.545 4.165 4.883 . 0 0 "[ . 1 . 2]" 1
2635 1 63 ASP H 1 67 SER QB . . 5.580 3.673 3.473 3.834 . 0 0 "[ . 1 . 2]" 1
2636 1 63 ASP HB2 1 64 SER H . . 5.630 4.126 4.058 4.212 . 0 0 "[ . 1 . 2]" 1
2637 1 63 ASP HB3 1 64 SER H . . 5.560 3.244 3.136 3.417 . 0 0 "[ . 1 . 2]" 1
2638 1 63 ASP HB3 1 64 SER HB2 . . 5.890 4.476 3.665 5.320 . 0 0 "[ . 1 . 2]" 1
2639 1 63 ASP HB3 1 64 SER HB3 . . 5.890 3.781 3.541 4.010 . 0 0 "[ . 1 . 2]" 1
2640 1 64 SER H 1 65 VAL H . . 5.710 4.389 4.360 4.408 . 0 0 "[ . 1 . 2]" 1
2641 1 64 SER H 1 65 VAL QG . . 5.920 5.117 5.041 5.231 . 0 0 "[ . 1 . 2]" 1
2642 1 64 SER H 1 67 SER H . . 5.610 4.030 3.829 4.182 . 0 0 "[ . 1 . 2]" 1
2643 1 64 SER H 1 67 SER QB . . 5.380 2.846 2.702 3.002 . 0 0 "[ . 1 . 2]" 1
2644 1 64 SER H 1 68 ALA H . . 5.740 4.454 4.371 4.528 . 0 0 "[ . 1 . 2]" 1
2645 1 64 SER HA 1 65 VAL H . . 4.950 2.305 2.257 2.362 . 0 0 "[ . 1 . 2]" 1
2646 1 64 SER HA 1 65 VAL HA . . 5.720 4.351 4.335 4.379 . 0 0 "[ . 1 . 2]" 1
2647 1 64 SER HA 1 65 VAL QG . . 5.610 3.626 3.575 3.757 . 0 0 "[ . 1 . 2]" 1
2648 1 64 SER HA 1 66 GLN H . . 5.800 4.159 4.060 4.282 . 0 0 "[ . 1 . 2]" 1
2649 1 64 SER HA 1 67 SER H . . 5.830 4.630 4.522 4.743 . 0 0 "[ . 1 . 2]" 1
2650 1 64 SER HA 1 68 ALA H . . 5.930 5.545 5.498 5.593 . 0 0 "[ . 1 . 2]" 1
2651 1 64 SER HB2 1 66 GLN HB2 . . 5.740 4.295 3.447 5.087 . 0 0 "[ . 1 . 2]" 1
2652 1 64 SER HB3 1 66 GLN HB2 . . 5.740 4.415 3.961 4.874 . 0 0 "[ . 1 . 2]" 1
2653 1 64 SER QB 1 65 VAL H . . 5.200 3.027 2.520 3.526 . 0 0 "[ . 1 . 2]" 1
2654 1 64 SER QB 1 65 VAL HA . . 5.900 4.892 4.742 5.047 . 0 0 "[ . 1 . 2]" 1
2655 1 64 SER QB 1 65 VAL HB . . 5.660 4.711 4.107 5.284 . 0 0 "[ . 1 . 2]" 1
2656 1 64 SER QB 1 65 VAL QG . . 5.690 4.403 4.085 4.712 . 0 0 "[ . 1 . 2]" 1
2657 1 64 SER QB 1 66 GLN H . . 5.210 3.154 2.666 3.642 . 0 0 "[ . 1 . 2]" 1
2658 1 64 SER QB 1 66 GLN HB3 . . 5.900 5.190 4.984 5.326 . 0 0 "[ . 1 . 2]" 1
2659 1 64 SER QB 1 66 GLN QG . . 5.680 4.920 3.319 5.536 . 0 0 "[ . 1 . 2]" 1
2660 1 64 SER QB 1 67 SER H . . 5.440 3.131 2.706 3.561 . 0 0 "[ . 1 . 2]" 1
2661 1 64 SER QB 1 67 SER HA . . 5.900 5.255 4.591 5.895 . 0 0 "[ . 1 . 2]" 1
2662 1 65 VAL H 1 66 GLN H . . 5.180 2.600 2.562 2.654 . 0 0 "[ . 1 . 2]" 1
2663 1 65 VAL H 1 66 GLN HB2 . . 5.890 4.777 4.682 4.943 . 0 0 "[ . 1 . 2]" 1
2664 1 65 VAL H 1 66 GLN QG . . 5.820 5.131 3.888 5.405 . 0 0 "[ . 1 . 2]" 1
2665 1 65 VAL H 1 67 SER H . . 5.720 4.146 4.021 4.279 . 0 0 "[ . 1 . 2]" 1
2666 1 65 VAL H 1 68 ALA H . . 5.840 4.850 4.777 4.913 . 0 0 "[ . 1 . 2]" 1
2667 1 65 VAL H 1 68 ALA MB . . 5.860 4.836 4.683 4.982 . 0 0 "[ . 1 . 2]" 1
2668 1 65 VAL HA 1 66 GLN HA . . 5.870 4.793 4.773 4.824 . 0 0 "[ . 1 . 2]" 1
2669 1 65 VAL HA 1 66 GLN QE . . 5.900 5.501 4.828 5.919 0.019 17 0 "[ . 1 . 2]" 1
2670 1 65 VAL HA 1 67 SER H . . 5.760 4.200 4.086 4.383 . 0 0 "[ . 1 . 2]" 1
2671 1 65 VAL HA 1 68 ALA H . . 5.490 3.276 3.215 3.410 . 0 0 "[ . 1 . 2]" 1
2672 1 65 VAL HA 1 68 ALA HA . . 5.930 5.353 5.209 5.505 . 0 0 "[ . 1 . 2]" 1
2673 1 65 VAL HA 1 68 ALA MB . . 5.100 2.555 2.373 2.735 . 0 0 "[ . 1 . 2]" 1
2674 1 65 VAL HA 1 69 GLN H . . 5.670 4.253 4.172 4.417 . 0 0 "[ . 1 . 2]" 1
2675 1 65 VAL HA 1 69 GLN HG3 . . 5.800 4.237 4.144 4.306 . 0 0 "[ . 1 . 2]" 1
2676 1 65 VAL HA 1 91 TYR QE . . 5.840 4.154 3.965 4.365 . 0 0 "[ . 1 . 2]" 1
2677 1 65 VAL HB 1 66 GLN H . . 5.100 2.761 2.634 2.860 . 0 0 "[ . 1 . 2]" 1
2678 1 65 VAL HB 1 66 GLN HA . . 5.890 4.392 4.333 4.426 . 0 0 "[ . 1 . 2]" 1
2679 1 65 VAL HB 1 66 GLN HE21 . . 5.930 4.021 3.738 4.212 . 0 0 "[ . 1 . 2]" 1
2680 1 65 VAL HB 1 66 GLN HE22 . . 5.930 3.238 2.668 4.745 . 0 0 "[ . 1 . 2]" 1
2681 1 65 VAL HB 1 66 GLN QE . . 5.790 3.047 2.621 3.619 . 0 0 "[ . 1 . 2]" 1
2682 1 65 VAL HB 1 68 ALA H . . 5.930 5.430 5.361 5.493 . 0 0 "[ . 1 . 2]" 1
2683 1 65 VAL HB 1 68 ALA MB . . 5.880 5.029 4.864 5.195 . 0 0 "[ . 1 . 2]" 1
2684 1 65 VAL HB 1 69 GLN HE21 . . 5.890 5.473 4.932 5.899 0.009 4 0 "[ . 1 . 2]" 1
2685 1 65 VAL HB 1 69 GLN HE22 . . 5.930 5.623 5.222 5.794 . 0 0 "[ . 1 . 2]" 1
2686 1 65 VAL MG1 1 66 GLN HE21 . . 5.820 4.142 3.524 4.874 . 0 0 "[ . 1 . 2]" 1
2687 1 65 VAL MG1 1 66 GLN HE22 . . 5.820 3.918 3.353 4.323 . 0 0 "[ . 1 . 2]" 1
2688 1 65 VAL MG1 1 67 SER H . . 5.930 4.853 4.733 4.985 . 0 0 "[ . 1 . 2]" 1
2689 1 65 VAL MG1 1 68 ALA H . . 5.890 4.383 4.335 4.434 . 0 0 "[ . 1 . 2]" 1
2690 1 65 VAL MG1 1 68 ALA MB . . 5.710 3.380 3.236 3.529 . 0 0 "[ . 1 . 2]" 1
2691 1 65 VAL MG1 1 69 GLN HE21 . . 5.800 2.772 2.318 3.137 . 0 0 "[ . 1 . 2]" 1
2692 1 65 VAL MG1 1 91 TYR QD . . 5.930 5.357 5.204 5.494 . 0 0 "[ . 1 . 2]" 1
2693 1 65 VAL MG1 1 91 TYR QE . . 5.640 3.748 3.579 3.953 . 0 0 "[ . 1 . 2]" 1
2694 1 65 VAL MG2 1 66 GLN HE21 . . 5.820 5.228 5.006 5.409 . 0 0 "[ . 1 . 2]" 1
2695 1 65 VAL MG2 1 66 GLN HE22 . . 5.820 4.413 3.925 5.758 . 0 0 "[ . 1 . 2]" 1
2696 1 65 VAL MG2 1 67 SER H . . 5.930 5.374 5.290 5.520 . 0 0 "[ . 1 . 2]" 1
2697 1 65 VAL MG2 1 68 ALA H . . 5.890 5.069 5.021 5.154 . 0 0 "[ . 1 . 2]" 1
2698 1 65 VAL MG2 1 68 ALA MB . . 5.710 3.935 3.779 4.102 . 0 0 "[ . 1 . 2]" 1
2699 1 65 VAL MG2 1 69 GLN HE21 . . 5.800 5.055 4.519 5.465 . 0 0 "[ . 1 . 2]" 1
2700 1 65 VAL MG2 1 91 TYR QD . . 5.930 5.735 5.486 5.938 0.008 19 0 "[ . 1 . 2]" 1
2701 1 65 VAL MG2 1 91 TYR QE . . 5.640 4.284 3.988 4.611 . 0 0 "[ . 1 . 2]" 1
2702 1 65 VAL QG 1 66 GLN H . . 5.200 3.237 3.094 3.314 . 0 0 "[ . 1 . 2]" 1
2703 1 65 VAL QG 1 66 GLN HA . . 5.300 3.259 3.095 3.336 . 0 0 "[ . 1 . 2]" 1
2704 1 65 VAL QG 1 66 GLN QE . . 5.340 3.348 2.971 3.600 . 0 0 "[ . 1 . 2]" 1
2705 1 65 VAL QG 1 66 GLN QG . . 5.560 3.784 3.538 3.914 . 0 0 "[ . 1 . 2]" 1
2706 1 65 VAL QG 1 67 SER H . . 5.730 4.515 4.435 4.622 . 0 0 "[ . 1 . 2]" 1
2707 1 65 VAL QG 1 68 ALA H . . 5.690 4.135 4.094 4.181 . 0 0 "[ . 1 . 2]" 1
2708 1 65 VAL QG 1 68 ALA MB . . 5.540 3.195 3.068 3.328 . 0 0 "[ . 1 . 2]" 1
2709 1 65 VAL QG 1 69 GLN H . . 5.620 3.804 3.702 3.892 . 0 0 "[ . 1 . 2]" 1
2710 1 65 VAL QG 1 69 GLN HA . . 5.890 4.799 4.715 4.895 . 0 0 "[ . 1 . 2]" 1
2711 1 65 VAL QG 1 69 GLN HB2 . . 5.670 4.050 3.920 4.183 . 0 0 "[ . 1 . 2]" 1
2712 1 65 VAL QG 1 69 GLN HB3 . . 5.870 4.803 4.690 4.897 . 0 0 "[ . 1 . 2]" 1
2713 1 65 VAL QG 1 69 GLN HE21 . . 5.430 2.759 2.311 3.119 . 0 0 "[ . 1 . 2]" 1
2714 1 65 VAL QG 1 69 GLN HE22 . . 5.480 3.188 2.857 3.339 . 0 0 "[ . 1 . 2]" 1
2715 1 65 VAL QG 1 69 GLN HG2 . . 5.490 3.606 3.516 3.697 . 0 0 "[ . 1 . 2]" 1
2716 1 65 VAL QG 1 69 GLN HG3 . . 5.210 2.495 2.387 2.602 . 0 0 "[ . 1 . 2]" 1
2717 1 66 GLN H 1 66 GLN HE21 . . 5.750 3.822 2.297 4.344 . 0 0 "[ . 1 . 2]" 1
2718 1 66 GLN H 1 66 GLN HE22 . . 5.750 3.725 2.663 5.033 . 0 0 "[ . 1 . 2]" 1
2719 1 66 GLN H 1 66 GLN HG2 . . 5.490 3.678 2.048 3.914 . 0 0 "[ . 1 . 2]" 1
2720 1 66 GLN H 1 66 GLN HG3 . . 5.490 3.505 3.323 3.687 . 0 0 "[ . 1 . 2]" 1
2721 1 66 GLN H 1 67 SER H . . 5.140 2.636 2.602 2.676 . 0 0 "[ . 1 . 2]" 1
2722 1 66 GLN H 1 67 SER HA . . 5.930 5.281 5.258 5.313 . 0 0 "[ . 1 . 2]" 1
2723 1 66 GLN H 1 68 ALA H . . 5.730 4.042 3.949 4.140 . 0 0 "[ . 1 . 2]" 1
2724 1 66 GLN H 1 68 ALA MB . . 5.910 4.824 4.669 4.973 . 0 0 "[ . 1 . 2]" 1
2725 1 66 GLN H 1 69 GLN H . . 5.790 4.732 4.681 4.820 . 0 0 "[ . 1 . 2]" 1
2726 1 66 GLN H 1 69 GLN HB2 . . 5.920 5.289 5.106 5.498 . 0 0 "[ . 1 . 2]" 1
2727 1 66 GLN H 1 69 GLN HG3 . . 5.870 5.049 4.899 5.147 . 0 0 "[ . 1 . 2]" 1
2728 1 66 GLN HA 1 66 GLN HE21 . . 5.860 4.292 4.099 4.517 . 0 0 "[ . 1 . 2]" 1
2729 1 66 GLN HA 1 66 GLN HE22 . . 5.860 4.879 4.119 5.188 . 0 0 "[ . 1 . 2]" 1
2730 1 66 GLN HA 1 68 ALA H . . 5.790 4.181 4.102 4.292 . 0 0 "[ . 1 . 2]" 1
2731 1 66 GLN HA 1 68 ALA MB . . 5.930 4.863 4.754 4.978 . 0 0 "[ . 1 . 2]" 1
2732 1 66 GLN HA 1 69 GLN H . . 5.490 3.238 3.117 3.365 . 0 0 "[ . 1 . 2]" 1
2733 1 66 GLN HA 1 69 GLN HB2 . . 5.270 2.669 2.427 2.932 . 0 0 "[ . 1 . 2]" 1
2734 1 66 GLN HA 1 69 GLN HE21 . . 5.760 5.220 4.853 5.417 . 0 0 "[ . 1 . 2]" 1
2735 1 66 GLN HA 1 69 GLN HE22 . . 5.820 5.095 4.769 5.333 . 0 0 "[ . 1 . 2]" 1
2736 1 66 GLN HA 1 69 GLN HG3 . . 5.380 3.438 3.133 3.583 . 0 0 "[ . 1 . 2]" 1
2737 1 66 GLN HA 1 70 ARG H . . 5.800 4.206 4.086 4.378 . 0 0 "[ . 1 . 2]" 1
2738 1 66 GLN HA 1 70 ARG QD . . 5.900 5.523 4.994 6.083 0.183 7 0 "[ . 1 . 2]" 1
2739 1 66 GLN HB2 1 67 SER H . . 5.170 2.964 2.781 3.124 . 0 0 "[ . 1 . 2]" 1
2740 1 66 GLN HB2 1 67 SER HA . . 5.860 4.591 4.367 4.699 . 0 0 "[ . 1 . 2]" 1
2741 1 66 GLN HB2 1 68 ALA H . . 5.900 5.128 5.013 5.259 . 0 0 "[ . 1 . 2]" 1
2742 1 66 GLN HB2 1 70 ARG HG2 . . 5.930 5.863 5.586 5.971 0.041 15 0 "[ . 1 . 2]" 1
2743 1 66 GLN HB3 1 67 SER H . . 5.620 3.841 3.743 3.923 . 0 0 "[ . 1 . 2]" 1
2744 1 66 GLN HB3 1 69 GLN H . . 5.930 5.215 5.094 5.308 . 0 0 "[ . 1 . 2]" 1
2745 1 66 GLN HB3 1 69 GLN HG3 . . 5.930 5.922 5.634 6.018 0.088 7 0 "[ . 1 . 2]" 1
2746 1 66 GLN QG 1 67 SER H . . 5.700 4.598 4.038 4.730 . 0 0 "[ . 1 . 2]" 1
2747 1 67 SER H 1 68 ALA H . . 5.120 2.486 2.437 2.539 . 0 0 "[ . 1 . 2]" 1
2748 1 67 SER H 1 68 ALA HA . . 5.900 5.152 5.119 5.190 . 0 0 "[ . 1 . 2]" 1
2749 1 67 SER H 1 68 ALA MB . . 5.670 4.153 4.088 4.215 . 0 0 "[ . 1 . 2]" 1
2750 1 67 SER H 1 69 GLN H . . 5.650 3.993 3.897 4.086 . 0 0 "[ . 1 . 2]" 1
2751 1 67 SER H 1 69 GLN HB2 . . 5.880 5.219 5.047 5.379 . 0 0 "[ . 1 . 2]" 1
2752 1 67 SER H 1 69 GLN HG3 . . 5.920 5.561 5.377 5.681 . 0 0 "[ . 1 . 2]" 1
2753 1 67 SER H 1 70 ARG H . . 5.890 5.044 4.971 5.166 . 0 0 "[ . 1 . 2]" 1
2754 1 67 SER HA 1 68 ALA HA . . 5.890 4.758 4.736 4.777 . 0 0 "[ . 1 . 2]" 1
2755 1 67 SER HA 1 68 ALA MB . . 5.870 5.007 4.990 5.020 . 0 0 "[ . 1 . 2]" 1
2756 1 67 SER HA 1 69 GLN H . . 5.750 4.319 4.223 4.414 . 0 0 "[ . 1 . 2]" 1
2757 1 67 SER HA 1 70 ARG H . . 5.630 3.714 3.649 3.775 . 0 0 "[ . 1 . 2]" 1
2758 1 67 SER HA 1 70 ARG HG2 . . 5.650 2.396 2.330 2.471 . 0 0 "[ . 1 . 2]" 1
2759 1 67 SER HA 1 70 ARG HG3 . . 5.840 3.490 3.298 3.636 . 0 0 "[ . 1 . 2]" 1
2760 1 67 SER HA 1 70 ARG QD . . 5.580 2.911 2.495 3.595 . 0 0 "[ . 1 . 2]" 1
2761 1 67 SER HA 1 71 ALA MB . . 5.820 4.454 4.322 4.561 . 0 0 "[ . 1 . 2]" 1
2762 1 67 SER QB 1 68 ALA H . . 5.160 2.749 2.687 2.833 . 0 0 "[ . 1 . 2]" 1
2763 1 67 SER QB 1 68 ALA HA . . 5.740 3.983 3.955 4.011 . 0 0 "[ . 1 . 2]" 1
2764 1 67 SER QB 1 71 ALA MB . . 5.870 4.116 3.908 4.220 . 0 0 "[ . 1 . 2]" 1
2765 1 68 ALA H 1 69 GLN H . . 5.080 2.539 2.500 2.591 . 0 0 "[ . 1 . 2]" 1
2766 1 68 ALA H 1 69 GLN HA . . 5.920 5.166 5.132 5.210 . 0 0 "[ . 1 . 2]" 1
2767 1 68 ALA H 1 69 GLN HB2 . . 5.800 4.662 4.592 4.741 . 0 0 "[ . 1 . 2]" 1
2768 1 68 ALA H 1 69 GLN HG3 . . 5.740 4.417 4.321 4.497 . 0 0 "[ . 1 . 2]" 1
2769 1 68 ALA H 1 70 ARG H . . 5.770 4.336 4.264 4.445 . 0 0 "[ . 1 . 2]" 1
2770 1 68 ALA H 1 71 ALA H . . 5.920 4.776 4.703 4.856 . 0 0 "[ . 1 . 2]" 1
2771 1 68 ALA H 1 71 ALA MB . . 5.880 4.640 4.541 4.725 . 0 0 "[ . 1 . 2]" 1
2772 1 68 ALA H 1 91 TYR QE . . 5.800 5.227 5.060 5.363 . 0 0 "[ . 1 . 2]" 1
2773 1 68 ALA HA 1 69 GLN HA . . 5.830 4.783 4.764 4.802 . 0 0 "[ . 1 . 2]" 1
2774 1 68 ALA HA 1 70 ARG H . . 5.760 4.583 4.473 4.712 . 0 0 "[ . 1 . 2]" 1
2775 1 68 ALA HA 1 71 ALA H . . 5.500 3.468 3.321 3.635 . 0 0 "[ . 1 . 2]" 1
2776 1 68 ALA HA 1 71 ALA HA . . 5.930 5.402 5.204 5.592 . 0 0 "[ . 1 . 2]" 1
2777 1 68 ALA HA 1 71 ALA MB . . 5.140 2.516 2.333 2.681 . 0 0 "[ . 1 . 2]" 1
2778 1 68 ALA HA 1 72 LYS H . . 5.630 3.960 3.831 4.115 . 0 0 "[ . 1 . 2]" 1
2779 1 68 ALA HA 1 89 ILE MG . . 5.890 5.807 5.709 5.910 0.020 18 0 "[ . 1 . 2]" 1
2780 1 68 ALA HA 1 91 TYR QE . . 5.930 5.007 4.750 5.212 . 0 0 "[ . 1 . 2]" 1
2781 1 68 ALA MB 1 69 GLN H . . 5.140 2.769 2.719 2.812 . 0 0 "[ . 1 . 2]" 1
2782 1 68 ALA MB 1 69 GLN HA . . 5.580 3.921 3.892 3.953 . 0 0 "[ . 1 . 2]" 1
2783 1 68 ALA MB 1 69 GLN HB2 . . 5.800 4.672 4.618 4.712 . 0 0 "[ . 1 . 2]" 1
2784 1 68 ALA MB 1 69 GLN HG3 . . 5.650 3.516 3.389 3.636 . 0 0 "[ . 1 . 2]" 1
2785 1 68 ALA MB 1 71 ALA H . . 5.860 4.639 4.529 4.751 . 0 0 "[ . 1 . 2]" 1
2786 1 68 ALA MB 1 71 ALA MB . . 5.650 3.843 3.669 4.005 . 0 0 "[ . 1 . 2]" 1
2787 1 68 ALA MB 1 72 LYS H . . 5.780 4.559 4.415 4.722 . 0 0 "[ . 1 . 2]" 1
2788 1 68 ALA MB 1 72 LYS HB2 . . 5.710 4.361 4.123 4.608 . 0 0 "[ . 1 . 2]" 1
2789 1 68 ALA MB 1 72 LYS HG3 . . 5.930 5.598 5.351 5.825 . 0 0 "[ . 1 . 2]" 1
2790 1 68 ALA MB 1 91 TYR QD . . 5.660 4.113 3.913 4.263 . 0 0 "[ . 1 . 2]" 1
2791 1 68 ALA MB 1 91 TYR QE . . 5.270 2.472 2.216 2.653 . 0 0 "[ . 1 . 2]" 1
2792 1 69 GLN H 1 69 GLN HE21 . . 5.870 5.215 4.991 5.401 . 0 0 "[ . 1 . 2]" 1
2793 1 69 GLN H 1 69 GLN HG2 . . 5.460 3.642 3.613 3.726 . 0 0 "[ . 1 . 2]" 1
2794 1 69 GLN H 1 69 GLN HG3 . . 5.010 2.492 2.438 2.544 . 0 0 "[ . 1 . 2]" 1
2795 1 69 GLN H 1 70 ARG H . . 5.120 2.706 2.674 2.737 . 0 0 "[ . 1 . 2]" 1
2796 1 69 GLN H 1 70 ARG HA . . 5.930 5.315 5.288 5.341 . 0 0 "[ . 1 . 2]" 1
2797 1 69 GLN H 1 70 ARG HB3 . . 5.930 5.191 5.103 5.314 . 0 0 "[ . 1 . 2]" 1
2798 1 69 GLN H 1 71 ALA H . . 5.770 3.958 3.919 4.014 . 0 0 "[ . 1 . 2]" 1
2799 1 69 GLN H 1 71 ALA MB . . 5.830 4.701 4.636 4.794 . 0 0 "[ . 1 . 2]" 1
2800 1 69 GLN H 1 72 LYS H . . 5.800 4.774 4.735 4.841 . 0 0 "[ . 1 . 2]" 1
2801 1 69 GLN H 1 91 TYR QE . . 5.580 4.770 4.670 4.895 . 0 0 "[ . 1 . 2]" 1
2802 1 69 GLN HA 1 69 GLN HE21 . . 5.880 4.780 4.724 4.852 . 0 0 "[ . 1 . 2]" 1
2803 1 69 GLN HA 1 70 ARG HA . . 5.840 4.677 4.656 4.695 . 0 0 "[ . 1 . 2]" 1
2804 1 69 GLN HA 1 72 LYS H . . 5.650 3.635 3.596 3.688 . 0 0 "[ . 1 . 2]" 1
2805 1 69 GLN HA 1 72 LYS HB2 . . 5.790 4.252 4.066 4.408 . 0 0 "[ . 1 . 2]" 1
2806 1 69 GLN HA 1 72 LYS HB3 . . 5.420 3.037 2.978 3.150 . 0 0 "[ . 1 . 2]" 1
2807 1 69 GLN HA 1 72 LYS HD2 . . 5.720 5.052 4.816 5.643 . 0 0 "[ . 1 . 2]" 1
2808 1 69 GLN HA 1 72 LYS HE2 . . 5.860 4.252 4.080 4.555 . 0 0 "[ . 1 . 2]" 1
2809 1 69 GLN HA 1 72 LYS HE3 . . 5.860 2.966 2.807 3.560 . 0 0 "[ . 1 . 2]" 1
2810 1 69 GLN HA 1 72 LYS QE . . 5.660 2.911 2.771 3.431 . 0 0 "[ . 1 . 2]" 1
2811 1 69 GLN HA 1 73 ALA H . . 5.630 4.362 4.256 4.421 . 0 0 "[ . 1 . 2]" 1
2812 1 69 GLN HA 1 73 ALA MB . . 5.600 4.300 4.195 4.433 . 0 0 "[ . 1 . 2]" 1
2813 1 69 GLN HA 1 91 TYR QD . . 5.900 5.439 5.281 5.667 . 0 0 "[ . 1 . 2]" 1
2814 1 69 GLN HA 1 91 TYR QE . . 5.510 3.342 3.125 3.651 . 0 0 "[ . 1 . 2]" 1
2815 1 69 GLN HB2 1 70 ARG H . . 5.140 2.688 2.563 2.762 . 0 0 "[ . 1 . 2]" 1
2816 1 69 GLN HB2 1 70 ARG HA . . 5.780 4.534 4.451 4.598 . 0 0 "[ . 1 . 2]" 1
2817 1 69 GLN HB2 1 70 ARG HG2 . . 5.850 4.363 4.155 4.598 . 0 0 "[ . 1 . 2]" 1
2818 1 69 GLN HB2 1 71 ALA H . . 5.900 4.930 4.858 4.976 . 0 0 "[ . 1 . 2]" 1
2819 1 69 GLN HB2 1 72 LYS H . . 5.930 5.709 5.660 5.755 . 0 0 "[ . 1 . 2]" 1
2820 1 69 GLN HB2 1 73 ALA MB . . 5.930 5.248 5.108 5.411 . 0 0 "[ . 1 . 2]" 1
2821 1 69 GLN HB2 1 91 TYR QE . . 5.910 5.491 5.372 5.644 . 0 0 "[ . 1 . 2]" 1
2822 1 69 GLN HB3 1 70 ARG H . . 5.420 3.527 3.441 3.615 . 0 0 "[ . 1 . 2]" 1
2823 1 69 GLN HB3 1 70 ARG HA . . 5.730 4.232 4.162 4.282 . 0 0 "[ . 1 . 2]" 1
2824 1 69 GLN HB3 1 72 LYS H . . 5.930 5.521 5.466 5.599 . 0 0 "[ . 1 . 2]" 1
2825 1 69 GLN HB3 1 73 ALA H . . 5.860 5.350 5.216 5.468 . 0 0 "[ . 1 . 2]" 1
2826 1 69 GLN HB3 1 91 TYR QE . . 5.710 4.918 4.765 5.126 . 0 0 "[ . 1 . 2]" 1
2827 1 69 GLN HE21 1 91 TYR QD . . 5.930 5.995 5.940 6.067 0.137 4 0 "[ . 1 . 2]" 1
2828 1 69 GLN HG2 1 70 ARG H . . 5.840 5.063 5.004 5.098 . 0 0 "[ . 1 . 2]" 1
2829 1 69 GLN HG2 1 73 ALA MB . . 5.930 5.516 5.355 5.604 . 0 0 "[ . 1 . 2]" 1
2830 1 69 GLN HG2 1 91 TYR QE . . 5.460 3.036 2.921 3.206 . 0 0 "[ . 1 . 2]" 1
2831 1 69 GLN HG3 1 70 ARG H . . 5.780 4.561 4.473 4.603 . 0 0 "[ . 1 . 2]" 1
2832 1 69 GLN HG3 1 91 TYR QE . . 5.500 3.957 3.842 4.062 . 0 0 "[ . 1 . 2]" 1
2833 1 70 ARG H 1 70 ARG HD2 . . 5.850 4.310 3.755 4.679 . 0 0 "[ . 1 . 2]" 1
2834 1 70 ARG H 1 70 ARG HD3 . . 5.850 4.320 3.826 4.694 . 0 0 "[ . 1 . 2]" 1
2835 1 70 ARG H 1 70 ARG HE . . 5.910 4.267 3.249 5.120 . 0 0 "[ . 1 . 2]" 1
2836 1 70 ARG H 1 70 ARG HG2 . . 5.190 1.987 1.893 2.128 . 0 0 "[ . 1 . 2]" 1
2837 1 70 ARG H 1 70 ARG HG3 . . 5.530 3.300 3.183 3.379 . 0 0 "[ . 1 . 2]" 1
2838 1 70 ARG H 1 70 ARG QD . . 5.560 3.790 3.549 4.149 . 0 0 "[ . 1 . 2]" 1
2839 1 70 ARG H 1 71 ALA H . . 5.050 2.538 2.492 2.584 . 0 0 "[ . 1 . 2]" 1
2840 1 70 ARG H 1 71 ALA MB . . 5.690 4.218 4.175 4.256 . 0 0 "[ . 1 . 2]" 1
2841 1 70 ARG H 1 72 LYS H . . 5.580 4.196 4.155 4.240 . 0 0 "[ . 1 . 2]" 1
2842 1 70 ARG H 1 73 ALA H . . 5.720 4.705 4.654 4.778 . 0 0 "[ . 1 . 2]" 1
2843 1 70 ARG H 1 73 ALA MB . . 5.780 4.615 4.504 4.750 . 0 0 "[ . 1 . 2]" 1
2844 1 70 ARG HA 1 71 ALA HA . . 5.820 4.767 4.747 4.787 . 0 0 "[ . 1 . 2]" 1
2845 1 70 ARG HA 1 71 ALA MB . . 5.890 5.000 4.991 5.013 . 0 0 "[ . 1 . 2]" 1
2846 1 70 ARG HA 1 72 LYS H . . 5.680 4.358 4.278 4.419 . 0 0 "[ . 1 . 2]" 1
2847 1 70 ARG HA 1 73 ALA H . . 5.570 3.201 3.108 3.378 . 0 0 "[ . 1 . 2]" 1
2848 1 70 ARG HA 1 73 ALA MB . . 5.130 2.398 2.280 2.661 . 0 0 "[ . 1 . 2]" 1
2849 1 70 ARG HA 1 74 SER HB2 . . 5.400 4.322 4.212 4.414 . 0 0 "[ . 1 . 2]" 1
2850 1 70 ARG HA 1 74 SER HB3 . . 5.830 4.847 4.724 4.947 . 0 0 "[ . 1 . 2]" 1
2851 1 70 ARG HB2 1 71 ALA H . . 5.340 4.073 4.005 4.123 . 0 0 "[ . 1 . 2]" 1
2852 1 70 ARG HB2 1 71 ALA HA . . 5.690 4.745 4.652 4.808 . 0 0 "[ . 1 . 2]" 1
2853 1 70 ARG HB2 1 71 ALA MB . . 5.770 5.129 5.053 5.209 . 0 0 "[ . 1 . 2]" 1
2854 1 70 ARG HB2 1 72 LYS H . . 6.000 5.857 5.789 5.895 . 0 0 "[ . 1 . 2]" 1
2855 1 70 ARG HB2 1 73 ALA H . . 5.930 5.140 5.003 5.327 . 0 0 "[ . 1 . 2]" 1
2856 1 70 ARG HB2 1 74 SER HB2 . . 5.900 4.132 3.962 4.312 . 0 0 "[ . 1 . 2]" 1
2857 1 70 ARG HB2 1 74 SER HB3 . . 5.930 4.617 4.361 4.815 . 0 0 "[ . 1 . 2]" 1
2858 1 70 ARG HB3 1 73 ALA H . . 5.930 5.510 5.396 5.668 . 0 0 "[ . 1 . 2]" 1
2859 1 70 ARG HD2 1 71 ALA MB . . 5.930 5.436 4.909 5.936 0.006 15 0 "[ . 1 . 2]" 1
2860 1 70 ARG HD3 1 71 ALA MB . . 5.930 5.576 5.107 5.993 0.063 11 0 "[ . 1 . 2]" 1
2861 1 70 ARG HE 1 71 ALA H . . 5.930 5.220 4.748 5.842 . 0 0 "[ . 1 . 2]" 1
2862 1 70 ARG HG2 1 71 ALA H . . 5.450 2.774 2.651 2.888 . 0 0 "[ . 1 . 2]" 1
2863 1 70 ARG HG2 1 71 ALA HA . . 5.930 4.816 4.710 4.985 . 0 0 "[ . 1 . 2]" 1
2864 1 70 ARG HG2 1 71 ALA MB . . 5.770 3.961 3.832 4.100 . 0 0 "[ . 1 . 2]" 1
2865 1 70 ARG HG2 1 73 ALA H . . 5.930 5.805 5.703 5.883 . 0 0 "[ . 1 . 2]" 1
2866 1 70 ARG HG3 1 71 ALA H . . 5.690 2.848 2.765 2.932 . 0 0 "[ . 1 . 2]" 1
2867 1 70 ARG HG3 1 71 ALA MB . . 5.780 3.509 3.379 3.620 . 0 0 "[ . 1 . 2]" 1
2868 1 70 ARG QD 1 71 ALA H . . 5.650 4.499 4.385 4.623 . 0 0 "[ . 1 . 2]" 1
2869 1 70 ARG QD 1 71 ALA MB . . 5.790 4.856 4.578 5.119 . 0 0 "[ . 1 . 2]" 1
2870 1 71 ALA H 1 72 LYS H . . 5.140 2.564 2.524 2.592 . 0 0 "[ . 1 . 2]" 1
2871 1 71 ALA H 1 72 LYS HA . . 5.920 5.226 5.191 5.250 . 0 0 "[ . 1 . 2]" 1
2872 1 71 ALA H 1 73 ALA H . . 5.690 3.813 3.758 3.883 . 0 0 "[ . 1 . 2]" 1
2873 1 71 ALA H 1 74 SER HB2 . . 5.850 5.884 5.864 5.911 0.061 13 0 "[ . 1 . 2]" 1
2874 1 71 ALA HA 1 72 LYS H . . 5.430 3.590 3.582 3.597 . 0 0 "[ . 1 . 2]" 1
2875 1 71 ALA HA 1 72 LYS HA . . 5.780 4.759 4.743 4.778 . 0 0 "[ . 1 . 2]" 1
2876 1 71 ALA HA 1 73 ALA H . . 5.790 4.141 4.046 4.243 . 0 0 "[ . 1 . 2]" 1
2877 1 71 ALA HA 1 74 SER HB2 . . 5.670 4.524 4.400 4.628 . 0 0 "[ . 1 . 2]" 1
2878 1 71 ALA HA 1 74 SER HB3 . . 5.580 3.147 3.044 3.227 . 0 0 "[ . 1 . 2]" 1
2879 1 71 ALA HA 1 75 LEU MD1 . . 5.320 3.118 2.994 3.263 . 0 0 "[ . 1 . 2]" 1
2880 1 71 ALA MB 1 72 LYS H . . 5.050 2.535 2.488 2.583 . 0 0 "[ . 1 . 2]" 1
2881 1 71 ALA MB 1 72 LYS HA . . 5.610 3.890 3.850 3.927 . 0 0 "[ . 1 . 2]" 1
2882 1 71 ALA MB 1 72 LYS HB3 . . 5.880 4.405 4.301 4.551 . 0 0 "[ . 1 . 2]" 1
2883 1 71 ALA MB 1 74 SER H . . 5.860 4.591 4.555 4.632 . 0 0 "[ . 1 . 2]" 1
2884 1 71 ALA MB 1 74 SER HB2 . . 5.920 5.812 5.724 5.883 . 0 0 "[ . 1 . 2]" 1
2885 1 71 ALA MB 1 74 SER HB3 . . 5.850 4.710 4.616 4.783 . 0 0 "[ . 1 . 2]" 1
2886 1 71 ALA MB 1 75 LEU H . . 5.850 4.408 4.359 4.476 . 0 0 "[ . 1 . 2]" 1
2887 1 71 ALA MB 1 75 LEU HB3 . . 5.930 5.127 5.007 5.227 . 0 0 "[ . 1 . 2]" 1
2888 1 71 ALA MB 1 75 LEU HG . . 5.740 3.613 3.513 3.691 . 0 0 "[ . 1 . 2]" 1
2889 1 71 ALA MB 1 75 LEU MD1 . . 5.110 2.450 2.346 2.557 . 0 0 "[ . 1 . 2]" 1
2890 1 71 ALA MB 1 89 ILE MG . . 5.710 4.054 3.945 4.190 . 0 0 "[ . 1 . 2]" 1
2891 1 72 LYS H 1 72 LYS HD2 . . 5.650 4.627 4.501 4.836 . 0 0 "[ . 1 . 2]" 1
2892 1 72 LYS H 1 72 LYS HE2 . . 5.930 5.315 5.196 5.505 . 0 0 "[ . 1 . 2]" 1
2893 1 72 LYS H 1 72 LYS HE3 . . 5.930 4.131 3.998 4.352 . 0 0 "[ . 1 . 2]" 1
2894 1 72 LYS H 1 72 LYS HG2 . . 5.730 4.441 4.408 4.461 . 0 0 "[ . 1 . 2]" 1
2895 1 72 LYS H 1 73 ALA H . . 5.100 2.521 2.478 2.558 . 0 0 "[ . 1 . 2]" 1
2896 1 72 LYS H 1 73 ALA HA . . 5.870 5.175 5.149 5.206 . 0 0 "[ . 1 . 2]" 1
2897 1 72 LYS H 1 73 ALA MB . . 5.700 4.191 4.159 4.222 . 0 0 "[ . 1 . 2]" 1
2898 1 72 LYS H 1 74 SER H . . 5.650 4.044 4.004 4.089 . 0 0 "[ . 1 . 2]" 1
2899 1 72 LYS H 1 74 SER HB3 . . 5.930 5.591 5.518 5.651 . 0 0 "[ . 1 . 2]" 1
2900 1 72 LYS H 1 75 LEU H . . 5.800 4.850 4.811 4.886 . 0 0 "[ . 1 . 2]" 1
2901 1 72 LYS H 1 76 ASN H . . 6.000 6.043 6.012 6.082 0.082 17 0 "[ . 1 . 2]" 1
2902 1 72 LYS H 1 89 ILE MD . . 5.720 4.710 4.616 4.839 . 0 0 "[ . 1 . 2]" 1
2903 1 72 LYS H 1 89 ILE MG . . 5.590 4.190 4.120 4.283 . 0 0 "[ . 1 . 2]" 1
2904 1 72 LYS HA 1 72 LYS HD2 . . 5.680 3.825 3.659 3.876 . 0 0 "[ . 1 . 2]" 1
2905 1 72 LYS HA 1 72 LYS QE . . 5.880 4.404 4.355 4.458 . 0 0 "[ . 1 . 2]" 1
2906 1 72 LYS HA 1 73 ALA HA . . 5.790 4.657 4.621 4.684 . 0 0 "[ . 1 . 2]" 1
2907 1 72 LYS HA 1 73 ALA MB . . 5.850 4.947 4.908 4.969 . 0 0 "[ . 1 . 2]" 1
2908 1 72 LYS HA 1 74 SER H . . 5.640 4.042 3.959 4.138 . 0 0 "[ . 1 . 2]" 1
2909 1 72 LYS HA 1 75 LEU H . . 5.580 3.931 3.825 4.016 . 0 0 "[ . 1 . 2]" 1
2910 1 72 LYS HA 1 75 LEU HB2 . . 5.730 3.951 3.821 4.085 . 0 0 "[ . 1 . 2]" 1
2911 1 72 LYS HA 1 75 LEU MD1 . . 5.870 4.681 4.591 4.826 . 0 0 "[ . 1 . 2]" 1
2912 1 72 LYS HA 1 76 ASN H . . 5.520 4.103 4.038 4.180 . 0 0 "[ . 1 . 2]" 1
2913 1 72 LYS HA 1 76 ASN HA . . 5.910 5.175 5.065 5.273 . 0 0 "[ . 1 . 2]" 1
2914 1 72 LYS HA 1 76 ASN HB2 . . 5.770 3.688 3.517 3.832 . 0 0 "[ . 1 . 2]" 1
2915 1 72 LYS HA 1 76 ASN HB3 . . 5.860 5.068 4.903 5.206 . 0 0 "[ . 1 . 2]" 1
2916 1 72 LYS HA 1 89 ILE H . . 5.930 5.633 5.506 5.735 . 0 0 "[ . 1 . 2]" 1
2917 1 72 LYS HA 1 89 ILE HA . . 5.920 5.399 5.333 5.484 . 0 0 "[ . 1 . 2]" 1
2918 1 72 LYS HA 1 89 ILE HB . . 5.460 2.856 2.731 2.937 . 0 0 "[ . 1 . 2]" 1
2919 1 72 LYS HA 1 89 ILE MD . . 5.230 2.636 2.521 2.840 . 0 0 "[ . 1 . 2]" 1
2920 1 72 LYS HA 1 89 ILE MG . . 5.250 2.244 2.189 2.310 . 0 0 "[ . 1 . 2]" 1
2921 1 72 LYS HB2 1 72 LYS HE2 . . 5.630 3.707 3.589 3.841 . 0 0 "[ . 1 . 2]" 1
2922 1 72 LYS HB2 1 72 LYS HE3 . . 5.630 3.399 3.352 3.523 . 0 0 "[ . 1 . 2]" 1
2923 1 72 LYS HB2 1 73 ALA H . . 5.640 4.185 4.040 4.243 . 0 0 "[ . 1 . 2]" 1
2924 1 72 LYS HB2 1 76 ASN HB2 . . 5.930 5.671 5.520 5.844 . 0 0 "[ . 1 . 2]" 1
2925 1 72 LYS HB2 1 89 ILE HB . . 5.720 4.335 4.164 4.481 . 0 0 "[ . 1 . 2]" 1
2926 1 72 LYS HB2 1 89 ILE MD . . 5.700 4.331 4.165 4.519 . 0 0 "[ . 1 . 2]" 1
2927 1 72 LYS HB2 1 89 ILE MG . . 5.500 2.719 2.584 2.980 . 0 0 "[ . 1 . 2]" 1
2928 1 72 LYS HB2 1 90 GLU H . . 5.910 5.304 5.117 5.510 . 0 0 "[ . 1 . 2]" 1
2929 1 72 LYS HB2 1 91 TYR QE . . 5.890 4.577 4.275 4.847 . 0 0 "[ . 1 . 2]" 1
2930 1 72 LYS HB3 1 72 LYS HE2 . . 5.700 2.986 2.902 3.142 . 0 0 "[ . 1 . 2]" 1
2931 1 72 LYS HB3 1 72 LYS HE3 . . 5.700 1.937 1.900 1.999 . 0 0 "[ . 1 . 2]" 1
2932 1 72 LYS HB3 1 73 ALA H . . 5.140 3.124 2.980 3.209 . 0 0 "[ . 1 . 2]" 1
2933 1 72 LYS HB3 1 73 ALA HA . . 5.830 4.645 4.468 4.720 . 0 0 "[ . 1 . 2]" 1
2934 1 72 LYS HB3 1 73 ALA MB . . 5.610 3.989 3.860 4.074 . 0 0 "[ . 1 . 2]" 1
2935 1 72 LYS HB3 1 74 SER H . . 5.840 5.174 5.107 5.220 . 0 0 "[ . 1 . 2]" 1
2936 1 72 LYS HB3 1 89 ILE HB . . 5.830 5.140 5.040 5.342 . 0 0 "[ . 1 . 2]" 1
2937 1 72 LYS HB3 1 89 ILE MG . . 5.670 3.945 3.856 4.120 . 0 0 "[ . 1 . 2]" 1
2938 1 72 LYS HD2 1 73 ALA H . . 5.560 3.846 3.673 4.019 . 0 0 "[ . 1 . 2]" 1
2939 1 72 LYS HD2 1 73 ALA HA . . 5.880 3.211 3.065 3.329 . 0 0 "[ . 1 . 2]" 1
2940 1 72 LYS HD2 1 73 ALA MB . . 5.390 3.550 3.288 3.881 . 0 0 "[ . 1 . 2]" 1
2941 1 72 LYS HD2 1 76 ASN HB2 . . 5.900 4.351 3.990 4.498 . 0 0 "[ . 1 . 2]" 1
2942 1 72 LYS HD2 1 89 ILE MG . . 5.670 4.493 4.383 4.644 . 0 0 "[ . 1 . 2]" 1
2943 1 72 LYS HD2 1 90 GLU HA . . 5.910 4.591 4.366 4.760 . 0 0 "[ . 1 . 2]" 1
2944 1 72 LYS HD2 1 91 TYR H . . 6.000 5.993 5.868 6.049 0.049 10 0 "[ . 1 . 2]" 1
2945 1 72 LYS HD2 1 91 TYR QD . . 5.820 5.505 5.322 5.750 . 0 0 "[ . 1 . 2]" 1
2946 1 72 LYS HD2 1 91 TYR QE . . 5.680 5.061 4.830 5.360 . 0 0 "[ . 1 . 2]" 1
2947 1 72 LYS HD3 1 73 ALA HA . . 5.710 4.827 4.636 4.987 . 0 0 "[ . 1 . 2]" 1
2948 1 72 LYS HD3 1 73 ALA MB . . 5.580 5.019 4.760 5.283 . 0 0 "[ . 1 . 2]" 1
2949 1 72 LYS HD3 1 76 ASN HB3 . . 5.890 5.834 5.626 5.915 0.025 13 0 "[ . 1 . 2]" 1
2950 1 72 LYS HD3 1 91 TYR QE . . 5.900 4.893 4.669 5.136 . 0 0 "[ . 1 . 2]" 1
2951 1 72 LYS HE2 1 91 TYR H . . 5.580 3.826 3.636 4.007 . 0 0 "[ . 1 . 2]" 1
2952 1 72 LYS HE2 1 91 TYR QD . . 5.650 2.587 2.370 2.862 . 0 0 "[ . 1 . 2]" 1
2953 1 72 LYS HE2 1 91 TYR QE . . 5.610 2.462 2.222 2.754 . 0 0 "[ . 1 . 2]" 1
2954 1 72 LYS HE3 1 91 TYR H . . 5.580 5.531 5.316 5.664 0.084 15 0 "[ . 1 . 2]" 1
2955 1 72 LYS HE3 1 91 TYR QD . . 5.650 4.094 3.911 4.354 . 0 0 "[ . 1 . 2]" 1
2956 1 72 LYS HE3 1 91 TYR QE . . 5.610 2.844 2.600 3.242 . 0 0 "[ . 1 . 2]" 1
2957 1 72 LYS HG2 1 73 ALA H . . 5.680 4.711 4.658 4.819 . 0 0 "[ . 1 . 2]" 1
2958 1 72 LYS HG2 1 73 ALA HA . . 5.720 4.812 4.749 5.089 . 0 0 "[ . 1 . 2]" 1
2959 1 72 LYS HG2 1 76 ASN H . . 5.870 5.305 5.182 5.494 . 0 0 "[ . 1 . 2]" 1
2960 1 72 LYS HG2 1 76 ASN HA . . 5.890 5.588 5.493 5.761 . 0 0 "[ . 1 . 2]" 1
2961 1 72 LYS HG2 1 76 ASN HB2 . . 5.790 3.624 3.548 3.896 . 0 0 "[ . 1 . 2]" 1
2962 1 72 LYS HG2 1 76 ASN HB3 . . 5.740 5.095 4.951 5.406 . 0 0 "[ . 1 . 2]" 1
2963 1 72 LYS HG2 1 76 ASN HD21 . . 5.860 4.891 4.649 5.394 . 0 0 "[ . 1 . 2]" 1
2964 1 72 LYS HG2 1 76 ASN HD22 . . 5.930 5.712 5.509 5.939 0.009 17 0 "[ . 1 . 2]" 1
2965 1 72 LYS HG2 1 89 ILE MD . . 5.860 3.884 3.694 4.148 . 0 0 "[ . 1 . 2]" 1
2966 1 72 LYS HG2 1 89 ILE MG . . 5.570 2.356 2.224 2.501 . 0 0 "[ . 1 . 2]" 1
2967 1 72 LYS HG2 1 90 GLU HA . . 5.880 3.249 3.043 3.389 . 0 0 "[ . 1 . 2]" 1
2968 1 72 LYS HG3 1 89 ILE MG . . 5.030 2.625 2.500 2.831 . 0 0 "[ . 1 . 2]" 1
2969 1 72 LYS HG3 1 90 GLU HA . . 5.560 2.559 2.298 2.717 . 0 0 "[ . 1 . 2]" 1
2970 1 72 LYS HG3 1 90 GLU HB2 . . 5.930 4.917 4.677 5.081 . 0 0 "[ . 1 . 2]" 1
2971 1 72 LYS QE 1 73 ALA MB . . 5.900 3.764 3.501 3.947 . 0 0 "[ . 1 . 2]" 1
2972 1 72 LYS QE 1 89 ILE MG . . 5.460 4.366 4.269 4.544 . 0 0 "[ . 1 . 2]" 1
2973 1 72 LYS QE 1 90 GLU HA . . 5.350 3.671 3.461 3.788 . 0 0 "[ . 1 . 2]" 1
2974 1 72 LYS QE 1 90 GLU HB3 . . 5.880 5.692 5.439 5.831 . 0 0 "[ . 1 . 2]" 1
2975 1 72 LYS QE 1 91 TYR QD . . 5.480 2.560 2.351 2.825 . 0 0 "[ . 1 . 2]" 1
2976 1 72 LYS QE 1 91 TYR QE . . 5.410 2.318 2.104 2.574 . 0 0 "[ . 1 . 2]" 1
2977 1 73 ALA H 1 74 SER H . . 5.140 2.401 2.344 2.463 . 0 0 "[ . 1 . 2]" 1
2978 1 73 ALA H 1 74 SER HB2 . . 5.670 4.645 4.565 4.699 . 0 0 "[ . 1 . 2]" 1
2979 1 73 ALA H 1 74 SER HB3 . . 5.830 4.510 4.425 4.596 . 0 0 "[ . 1 . 2]" 1
2980 1 73 ALA H 1 75 LEU H . . 5.680 4.074 3.968 4.171 . 0 0 "[ . 1 . 2]" 1
2981 1 73 ALA H 1 76 ASN H . . 5.860 4.923 4.845 5.026 . 0 0 "[ . 1 . 2]" 1
2982 1 73 ALA H 1 89 ILE MD . . 5.820 5.102 4.981 5.266 . 0 0 "[ . 1 . 2]" 1
2983 1 73 ALA H 1 89 ILE MG . . 5.830 5.245 5.186 5.315 . 0 0 "[ . 1 . 2]" 1
2984 1 73 ALA HA 1 74 SER H . . 5.230 3.447 3.362 3.494 . 0 0 "[ . 1 . 2]" 1
2985 1 73 ALA HA 1 74 SER HA . . 5.750 4.571 4.508 4.615 . 0 0 "[ . 1 . 2]" 1
2986 1 73 ALA HA 1 74 SER HB2 . . 5.890 5.454 5.339 5.551 . 0 0 "[ . 1 . 2]" 1
2987 1 73 ALA HA 1 75 LEU H . . 5.840 4.875 4.802 4.970 . 0 0 "[ . 1 . 2]" 1
2988 1 73 ALA HA 1 76 ASN H . . 5.700 4.306 4.218 4.409 . 0 0 "[ . 1 . 2]" 1
2989 1 73 ALA HA 1 76 ASN HB2 . . 5.770 4.170 4.068 4.313 . 0 0 "[ . 1 . 2]" 1
2990 1 73 ALA HA 1 76 ASN HB3 . . 5.560 3.836 3.718 4.032 . 0 0 "[ . 1 . 2]" 1
2991 1 73 ALA HA 1 89 ILE MD . . 5.890 5.540 5.419 5.740 . 0 0 "[ . 1 . 2]" 1
2992 1 73 ALA MB 1 74 SER HA . . 5.720 4.111 4.038 4.238 . 0 0 "[ . 1 . 2]" 1
2993 1 73 ALA MB 1 74 SER HB2 . . 5.610 3.860 3.811 3.921 . 0 0 "[ . 1 . 2]" 1
2994 1 73 ALA MB 1 76 ASN H . . 5.910 5.230 5.162 5.290 . 0 0 "[ . 1 . 2]" 1
2995 1 73 ALA MB 1 76 ASN HB2 . . 5.930 5.471 5.407 5.574 . 0 0 "[ . 1 . 2]" 1
2996 1 73 ALA MB 1 76 ASN HB3 . . 5.860 5.222 5.116 5.376 . 0 0 "[ . 1 . 2]" 1
2997 1 73 ALA MB 1 91 TYR QE . . 5.930 5.901 5.759 5.967 0.037 3 0 "[ . 1 . 2]" 1
2998 1 74 SER H 1 75 LEU H . . 5.030 2.087 1.932 2.191 . 0 0 "[ . 1 . 2]" 1
2999 1 74 SER H 1 75 LEU HB2 . . 5.840 4.392 4.247 4.475 . 0 0 "[ . 1 . 2]" 1
3000 1 74 SER H 1 75 LEU HB3 . . 5.930 5.715 5.570 5.803 . 0 0 "[ . 1 . 2]" 1
3001 1 74 SER H 1 75 LEU HG . . 5.520 3.814 3.733 3.896 . 0 0 "[ . 1 . 2]" 1
3002 1 74 SER H 1 75 LEU MD1 . . 5.780 4.911 4.856 4.974 . 0 0 "[ . 1 . 2]" 1
3003 1 74 SER H 1 75 LEU MD2 . . 5.930 4.829 4.714 4.924 . 0 0 "[ . 1 . 2]" 1
3004 1 74 SER H 1 76 ASN H . . 5.540 3.410 3.196 3.555 . 0 0 "[ . 1 . 2]" 1
3005 1 74 SER H 1 76 ASN HB2 . . 5.860 4.917 4.699 5.093 . 0 0 "[ . 1 . 2]" 1
3006 1 74 SER H 1 76 ASN HB3 . . 5.880 4.947 4.719 5.094 . 0 0 "[ . 1 . 2]" 1
3007 1 74 SER H 1 89 ILE MD . . 5.770 4.491 4.349 4.628 . 0 0 "[ . 1 . 2]" 1
3008 1 74 SER HA 1 75 LEU MD2 . . 5.930 4.860 4.755 4.918 . 0 0 "[ . 1 . 2]" 1
3009 1 74 SER HA 1 76 ASN H . . 5.770 4.065 4.001 4.140 . 0 0 "[ . 1 . 2]" 1
3010 1 74 SER HB2 1 75 LEU H . . 5.580 4.090 4.067 4.137 . 0 0 "[ . 1 . 2]" 1
3011 1 74 SER HB2 1 75 LEU HG . . 5.660 4.738 4.674 4.791 . 0 0 "[ . 1 . 2]" 1
3012 1 74 SER HB2 1 75 LEU MD2 . . 5.800 4.907 4.818 4.979 . 0 0 "[ . 1 . 2]" 1
3013 1 74 SER HB3 1 75 LEU H . . 5.330 2.855 2.810 2.938 . 0 0 "[ . 1 . 2]" 1
3014 1 74 SER HB3 1 75 LEU HG . . 5.340 2.983 2.916 3.044 . 0 0 "[ . 1 . 2]" 1
3015 1 74 SER HB3 1 75 LEU MD1 . . 5.620 4.439 4.378 4.488 . 0 0 "[ . 1 . 2]" 1
3016 1 74 SER HB3 1 75 LEU MD2 . . 5.430 3.613 3.516 3.700 . 0 0 "[ . 1 . 2]" 1
3017 1 74 SER HB3 1 76 ASN H . . 5.840 4.922 4.887 4.964 . 0 0 "[ . 1 . 2]" 1
3018 1 74 SER HB3 1 89 ILE MD . . 5.890 5.595 5.544 5.682 . 0 0 "[ . 1 . 2]" 1
3019 1 75 LEU H 1 75 LEU HG . . 5.430 2.353 2.310 2.414 . 0 0 "[ . 1 . 2]" 1
3020 1 75 LEU H 1 75 LEU MD1 . . 5.490 3.651 3.621 3.691 . 0 0 "[ . 1 . 2]" 1
3021 1 75 LEU H 1 75 LEU MD2 . . 5.540 3.432 3.396 3.473 . 0 0 "[ . 1 . 2]" 1
3022 1 75 LEU H 1 76 ASN H . . 5.050 2.427 2.354 2.468 . 0 0 "[ . 1 . 2]" 1
3023 1 75 LEU H 1 76 ASN HA . . 5.820 4.928 4.864 4.961 . 0 0 "[ . 1 . 2]" 1
3024 1 75 LEU H 1 76 ASN HB2 . . 5.760 4.490 4.380 4.532 . 0 0 "[ . 1 . 2]" 1
3025 1 75 LEU H 1 76 ASN HB3 . . 5.660 4.746 4.662 4.825 . 0 0 "[ . 1 . 2]" 1
3026 1 75 LEU H 1 89 ILE MD . . 5.360 3.270 3.233 3.365 . 0 0 "[ . 1 . 2]" 1
3027 1 75 LEU H 1 89 ILE MG . . 5.900 5.075 4.972 5.151 . 0 0 "[ . 1 . 2]" 1
3028 1 75 LEU HA 1 76 ASN H . . 5.390 3.402 3.380 3.428 . 0 0 "[ . 1 . 2]" 1
3029 1 75 LEU HA 1 76 ASN HA . . 5.850 4.767 4.760 4.778 . 0 0 "[ . 1 . 2]" 1
3030 1 75 LEU HA 1 77 GLY H . . 5.930 5.895 5.833 5.971 0.041 12 0 "[ . 1 . 2]" 1
3031 1 75 LEU HA 1 78 ALA H . . 5.850 3.909 3.810 4.052 . 0 0 "[ . 1 . 2]" 1
3032 1 75 LEU HA 1 78 ALA MB . . 5.010 2.424 2.311 2.599 . 0 0 "[ . 1 . 2]" 1
3033 1 75 LEU HA 1 87 LEU HB2 . . 5.900 5.149 5.043 5.317 . 0 0 "[ . 1 . 2]" 1
3034 1 75 LEU HA 1 87 LEU MD1 . . 5.560 4.052 3.668 4.167 . 0 0 "[ . 1 . 2]" 1
3035 1 75 LEU HA 1 89 ILE MD . . 5.620 3.824 3.804 3.851 . 0 0 "[ . 1 . 2]" 1
3036 1 75 LEU HB2 1 76 ASN H . . 5.330 3.451 3.390 3.480 . 0 0 "[ . 1 . 2]" 1
3037 1 75 LEU HB2 1 78 ALA H . . 5.930 5.566 5.511 5.675 . 0 0 "[ . 1 . 2]" 1
3038 1 75 LEU HB2 1 87 LEU MD1 . . 5.520 4.040 3.868 4.107 . 0 0 "[ . 1 . 2]" 1
3039 1 75 LEU HB2 1 87 LEU MD2 . . 6.000 6.007 5.572 6.070 0.070 20 0 "[ . 1 . 2]" 1
3040 1 75 LEU HB2 1 89 ILE MD . . 5.180 2.002 1.980 2.041 . 0 0 "[ . 1 . 2]" 1
3041 1 75 LEU HB3 1 76 ASN H . . 5.770 4.303 4.258 4.340 . 0 0 "[ . 1 . 2]" 1
3042 1 75 LEU HB3 1 87 LEU HB2 . . 5.890 4.515 4.356 4.665 . 0 0 "[ . 1 . 2]" 1
3043 1 75 LEU HB3 1 87 LEU MD1 . . 5.190 2.896 2.646 2.998 . 0 0 "[ . 1 . 2]" 1
3044 1 75 LEU HB3 1 89 ILE MD . . 5.430 2.547 2.466 2.622 . 0 0 "[ . 1 . 2]" 1
3045 1 75 LEU HG 1 76 ASN H . . 5.830 4.544 4.496 4.578 . 0 0 "[ . 1 . 2]" 1
3046 1 75 LEU HG 1 89 ILE MD . . 5.690 3.949 3.913 3.997 . 0 0 "[ . 1 . 2]" 1
3047 1 75 LEU MD1 1 76 ASN H . . 5.770 5.107 5.082 5.126 . 0 0 "[ . 1 . 2]" 1
3048 1 75 LEU MD1 1 89 ILE MD . . 5.260 3.014 2.963 3.065 . 0 0 "[ . 1 . 2]" 1
3049 1 75 LEU MD2 1 76 ASN H . . 5.820 4.721 4.674 4.748 . 0 0 "[ . 1 . 2]" 1
3050 1 75 LEU MD2 1 78 ALA MB . . 5.350 3.166 3.021 3.368 . 0 0 "[ . 1 . 2]" 1
3051 1 75 LEU MD2 1 89 ILE MD . . 5.690 4.083 4.033 4.126 . 0 0 "[ . 1 . 2]" 1
3052 1 76 ASN H 1 76 ASN HD21 . . 5.790 4.722 4.705 4.739 . 0 0 "[ . 1 . 2]" 1
3053 1 76 ASN H 1 77 GLY H . . 5.730 4.627 4.615 4.640 . 0 0 "[ . 1 . 2]" 1
3054 1 76 ASN H 1 78 ALA H . . 5.920 4.258 4.205 4.332 . 0 0 "[ . 1 . 2]" 1
3055 1 76 ASN H 1 78 ALA MB . . 5.780 4.288 4.214 4.376 . 0 0 "[ . 1 . 2]" 1
3056 1 76 ASN H 1 87 LEU MD1 . . 5.870 5.482 5.139 5.590 . 0 0 "[ . 1 . 2]" 1
3057 1 76 ASN H 1 89 ILE H . . 5.920 5.680 5.605 5.779 . 0 0 "[ . 1 . 2]" 1
3058 1 76 ASN H 1 89 ILE HB . . 5.880 4.262 4.182 4.346 . 0 0 "[ . 1 . 2]" 1
3059 1 76 ASN H 1 89 ILE HG12 . . 5.920 5.759 5.668 5.857 . 0 0 "[ . 1 . 2]" 1
3060 1 76 ASN H 1 89 ILE MD . . 5.190 2.815 2.762 2.883 . 0 0 "[ . 1 . 2]" 1
3061 1 76 ASN H 1 89 ILE MG . . 5.830 4.959 4.868 5.051 . 0 0 "[ . 1 . 2]" 1
3062 1 76 ASN HA 1 77 GLY H . . 4.950 2.215 2.205 2.225 . 0 0 "[ . 1 . 2]" 1
3063 1 76 ASN HA 1 77 GLY QA . . 5.620 3.980 3.969 3.989 . 0 0 "[ . 1 . 2]" 1
3064 1 76 ASN HA 1 78 ALA H . . 5.590 3.342 3.323 3.392 . 0 0 "[ . 1 . 2]" 1
3065 1 76 ASN HA 1 78 ALA MB . . 5.930 4.421 4.395 4.486 . 0 0 "[ . 1 . 2]" 1
3066 1 76 ASN HA 1 87 LEU H . . 5.820 5.311 5.226 5.439 . 0 0 "[ . 1 . 2]" 1
3067 1 76 ASN HA 1 87 LEU HB2 . . 5.630 3.587 3.443 3.688 . 0 0 "[ . 1 . 2]" 1
3068 1 76 ASN HA 1 87 LEU HB3 . . 5.770 3.941 3.552 4.067 . 0 0 "[ . 1 . 2]" 1
3069 1 76 ASN HA 1 87 LEU MD1 . . 5.690 4.561 4.280 4.657 . 0 0 "[ . 1 . 2]" 1
3070 1 76 ASN HA 1 88 LYS H . . 5.930 4.839 4.762 4.937 . 0 0 "[ . 1 . 2]" 1
3071 1 76 ASN HA 1 88 LYS HA . . 5.690 3.286 3.160 3.635 . 0 0 "[ . 1 . 2]" 1
3072 1 76 ASN HA 1 89 ILE H . . 5.510 3.577 3.490 3.654 . 0 0 "[ . 1 . 2]" 1
3073 1 76 ASN HA 1 89 ILE HA . . 5.900 5.345 5.226 5.415 . 0 0 "[ . 1 . 2]" 1
3074 1 76 ASN HA 1 89 ILE HB . . 5.680 3.522 3.338 3.639 . 0 0 "[ . 1 . 2]" 1
3075 1 76 ASN HA 1 89 ILE HG12 . . 5.720 4.260 4.068 4.372 . 0 0 "[ . 1 . 2]" 1
3076 1 76 ASN HA 1 89 ILE HG13 . . 5.460 2.565 2.375 2.681 . 0 0 "[ . 1 . 2]" 1
3077 1 76 ASN HA 1 89 ILE MD . . 5.290 2.722 2.588 2.813 . 0 0 "[ . 1 . 2]" 1
3078 1 76 ASN HA 1 89 ILE MG . . 5.800 4.736 4.622 4.830 . 0 0 "[ . 1 . 2]" 1
3079 1 76 ASN HB2 1 77 GLY H . . 5.690 4.268 4.235 4.314 . 0 0 "[ . 1 . 2]" 1
3080 1 76 ASN HB2 1 89 ILE H . . 5.610 3.564 3.471 3.663 . 0 0 "[ . 1 . 2]" 1
3081 1 76 ASN HB2 1 89 ILE HB . . 5.670 2.607 2.488 2.721 . 0 0 "[ . 1 . 2]" 1
3082 1 76 ASN HB2 1 89 ILE HG12 . . 5.890 5.008 4.918 5.126 . 0 0 "[ . 1 . 2]" 1
3083 1 76 ASN HB2 1 89 ILE MD . . 5.430 2.926 2.853 2.999 . 0 0 "[ . 1 . 2]" 1
3084 1 76 ASN HB2 1 89 ILE MG . . 5.790 4.115 3.990 4.222 . 0 0 "[ . 1 . 2]" 1
3085 1 76 ASN HB3 1 77 GLY H . . 5.740 4.156 4.106 4.191 . 0 0 "[ . 1 . 2]" 1
3086 1 76 ASN HB3 1 77 GLY QA . . 5.930 4.519 4.483 4.552 . 0 0 "[ . 1 . 2]" 1
3087 1 76 ASN HB3 1 78 ALA MB . . 5.930 5.558 5.483 5.613 . 0 0 "[ . 1 . 2]" 1
3088 1 76 ASN HB3 1 89 ILE H . . 5.910 4.797 4.742 4.880 . 0 0 "[ . 1 . 2]" 1
3089 1 76 ASN HB3 1 89 ILE HB . . 5.700 4.374 4.254 4.489 . 0 0 "[ . 1 . 2]" 1
3090 1 76 ASN HB3 1 89 ILE MD . . 5.580 4.144 4.073 4.242 . 0 0 "[ . 1 . 2]" 1
3091 1 76 ASN HB3 1 89 ILE MG . . 5.930 5.566 5.447 5.682 . 0 0 "[ . 1 . 2]" 1
3092 1 76 ASN HD21 1 77 GLY H . . 5.870 5.233 4.924 5.345 . 0 0 "[ . 1 . 2]" 1
3093 1 76 ASN HD21 1 77 GLY QA . . 5.860 5.413 4.928 5.598 . 0 0 "[ . 1 . 2]" 1
3094 1 76 ASN HD21 1 88 LYS HA . . 5.890 5.341 5.225 5.497 . 0 0 "[ . 1 . 2]" 1
3095 1 76 ASN HD21 1 89 ILE H . . 5.760 4.409 4.284 4.765 . 0 0 "[ . 1 . 2]" 1
3096 1 76 ASN HD21 1 89 ILE HB . . 5.820 4.768 4.610 5.196 . 0 0 "[ . 1 . 2]" 1
3097 1 76 ASN HD22 1 77 GLY H . . 5.860 4.874 4.612 4.985 . 0 0 "[ . 1 . 2]" 1
3098 1 76 ASN HD22 1 77 GLY QA . . 5.860 5.109 4.756 5.282 . 0 0 "[ . 1 . 2]" 1
3099 1 76 ASN HD22 1 88 LYS HA . . 5.820 4.412 4.347 4.462 . 0 0 "[ . 1 . 2]" 1
3100 1 76 ASN HD22 1 88 LYS QG . . 5.900 4.733 3.868 5.911 0.011 12 0 "[ . 1 . 2]" 1
3101 1 76 ASN HD22 1 89 ILE H . . 5.670 3.777 3.688 4.013 . 0 0 "[ . 1 . 2]" 1
3102 1 76 ASN HD22 1 89 ILE HB . . 5.890 5.173 5.013 5.404 . 0 0 "[ . 1 . 2]" 1
3103 1 76 ASN HD22 1 89 ILE MD . . 5.930 5.960 5.939 5.999 0.069 9 0 "[ . 1 . 2]" 1
3104 1 77 GLY H 1 78 ALA H . . 5.110 2.771 2.744 2.816 . 0 0 "[ . 1 . 2]" 1
3105 1 77 GLY H 1 78 ALA HA . . 5.920 5.332 5.313 5.371 . 0 0 "[ . 1 . 2]" 1
3106 1 77 GLY H 1 78 ALA MB . . 5.690 4.473 4.450 4.524 . 0 0 "[ . 1 . 2]" 1
3107 1 77 GLY H 1 86 THR HA . . 6.000 6.067 5.994 6.106 0.106 11 0 "[ . 1 . 2]" 1
3108 1 77 GLY H 1 86 THR MG . . 5.460 4.075 3.972 4.160 . 0 0 "[ . 1 . 2]" 1
3109 1 77 GLY H 1 87 LEU H . . 5.670 3.887 3.810 4.030 . 0 0 "[ . 1 . 2]" 1
3110 1 77 GLY H 1 87 LEU HA . . 5.850 4.880 4.760 4.988 . 0 0 "[ . 1 . 2]" 1
3111 1 77 GLY H 1 87 LEU HB2 . . 5.440 3.305 3.067 3.389 . 0 0 "[ . 1 . 2]" 1
3112 1 77 GLY H 1 87 LEU HB3 . . 5.570 4.177 3.764 4.296 . 0 0 "[ . 1 . 2]" 1
3113 1 77 GLY H 1 87 LEU HG . . 5.820 5.609 5.501 5.681 . 0 0 "[ . 1 . 2]" 1
3114 1 77 GLY H 1 87 LEU MD1 . . 5.670 4.927 4.656 5.026 . 0 0 "[ . 1 . 2]" 1
3115 1 77 GLY H 1 87 LEU MD2 . . 5.840 5.626 5.379 5.686 . 0 0 "[ . 1 . 2]" 1
3116 1 77 GLY H 1 88 LYS H . . 5.780 4.565 4.438 4.647 . 0 0 "[ . 1 . 2]" 1
3117 1 77 GLY H 1 88 LYS HA . . 5.640 2.910 2.798 3.146 . 0 0 "[ . 1 . 2]" 1
3118 1 77 GLY H 1 88 LYS QG . . 5.900 3.798 3.495 4.417 . 0 0 "[ . 1 . 2]" 1
3119 1 77 GLY H 1 89 ILE H . . 5.510 4.377 4.210 4.504 . 0 0 "[ . 1 . 2]" 1
3120 1 77 GLY H 1 89 ILE HG13 . . 5.590 4.053 3.854 4.160 . 0 0 "[ . 1 . 2]" 1
3121 1 77 GLY H 1 89 ILE MD . . 5.710 4.454 4.325 4.532 . 0 0 "[ . 1 . 2]" 1
3122 1 77 GLY QA 1 78 ALA H . . 5.260 2.974 2.965 2.983 . 0 0 "[ . 1 . 2]" 1
3123 1 77 GLY QA 1 78 ALA MB . . 5.760 4.262 4.255 4.276 . 0 0 "[ . 1 . 2]" 1
3124 1 77 GLY QA 1 79 ASP H . . 6.000 5.909 5.900 5.920 . 0 0 "[ . 1 . 2]" 1
3125 1 77 GLY QA 1 86 THR MG . . 5.260 2.811 2.659 2.908 . 0 0 "[ . 1 . 2]" 1
3126 1 77 GLY QA 1 87 LEU H . . 5.670 3.692 3.572 3.774 . 0 0 "[ . 1 . 2]" 1
3127 1 77 GLY QA 1 87 LEU HB2 . . 5.890 4.353 4.001 4.455 . 0 0 "[ . 1 . 2]" 1
3128 1 77 GLY QA 1 87 LEU MD1 . . 5.930 5.551 5.241 5.640 . 0 0 "[ . 1 . 2]" 1
3129 1 77 GLY QA 1 88 LYS HA . . 5.840 4.292 4.158 4.412 . 0 0 "[ . 1 . 2]" 1
3130 1 77 GLY QA 1 89 ILE H . . 5.930 5.786 5.598 5.936 0.006 4 0 "[ . 1 . 2]" 1
3131 1 78 ALA H 1 79 ASP H . . 5.560 4.627 4.616 4.647 . 0 0 "[ . 1 . 2]" 1
3132 1 78 ALA H 1 86 THR MG . . 5.630 4.196 4.123 4.503 . 0 0 "[ . 1 . 2]" 1
3133 1 78 ALA H 1 87 LEU H . . 5.490 3.869 3.815 3.979 . 0 0 "[ . 1 . 2]" 1
3134 1 78 ALA H 1 87 LEU HA . . 5.850 5.817 5.629 5.864 0.014 13 0 "[ . 1 . 2]" 1
3135 1 78 ALA H 1 87 LEU HB2 . . 5.290 3.106 2.752 3.182 . 0 0 "[ . 1 . 2]" 1
3136 1 78 ALA H 1 87 LEU HB3 . . 5.700 4.684 4.247 4.787 . 0 0 "[ . 1 . 2]" 1
3137 1 78 ALA H 1 87 LEU HG . . 5.530 4.953 4.741 5.027 . 0 0 "[ . 1 . 2]" 1
3138 1 78 ALA H 1 87 LEU MD1 . . 5.210 3.903 3.455 3.997 . 0 0 "[ . 1 . 2]" 1
3139 1 78 ALA H 1 87 LEU MD2 . . 5.730 5.714 5.405 5.762 0.032 7 0 "[ . 1 . 2]" 1
3140 1 78 ALA H 1 89 ILE MD . . 5.830 4.571 4.472 4.625 . 0 0 "[ . 1 . 2]" 1
3141 1 78 ALA HA 1 79 ASP QB . . 5.810 4.482 4.409 4.506 . 0 0 "[ . 1 . 2]" 1
3142 1 78 ALA HA 1 86 THR MG . . 5.900 3.994 3.898 4.435 . 0 0 "[ . 1 . 2]" 1
3143 1 78 ALA HA 1 87 LEU HB2 . . 5.890 5.083 4.806 5.167 . 0 0 "[ . 1 . 2]" 1
3144 1 78 ALA HA 1 87 LEU MD1 . . 5.700 4.939 4.584 5.052 . 0 0 "[ . 1 . 2]" 1
3145 1 78 ALA MB 1 79 ASP HA . . 6.000 4.019 4.000 4.144 . 0 0 "[ . 1 . 2]" 1
3146 1 78 ALA MB 1 79 ASP QB . . 5.880 4.650 4.323 4.675 . 0 0 "[ . 1 . 2]" 1
3147 1 78 ALA MB 1 80 ILE H . . 5.930 5.198 5.138 5.222 . 0 0 "[ . 1 . 2]" 1
3148 1 78 ALA MB 1 80 ILE HA . . 5.830 5.221 5.134 5.261 . 0 0 "[ . 1 . 2]" 1
3149 1 78 ALA MB 1 87 LEU H . . 5.850 4.358 4.287 4.423 . 0 0 "[ . 1 . 2]" 1
3150 1 78 ALA MB 1 87 LEU HB2 . . 5.530 3.412 3.345 3.481 . 0 0 "[ . 1 . 2]" 1
3151 1 78 ALA MB 1 87 LEU HB3 . . 5.810 4.711 4.525 4.803 . 0 0 "[ . 1 . 2]" 1
3152 1 78 ALA MB 1 87 LEU HG . . 5.930 4.184 4.072 4.249 . 0 0 "[ . 1 . 2]" 1
3153 1 78 ALA MB 1 87 LEU MD1 . . 5.020 2.651 2.325 2.760 . 0 0 "[ . 1 . 2]" 1
3154 1 78 ALA MB 1 89 ILE MD . . 5.730 4.249 4.159 4.392 . 0 0 "[ . 1 . 2]" 1
3155 1 79 ASP H 1 80 ILE H . . 5.710 4.501 4.481 4.561 . 0 0 "[ . 1 . 2]" 1
3156 1 79 ASP H 1 80 ILE HA . . 6.000 5.094 5.067 5.210 . 0 0 "[ . 1 . 2]" 1
3157 1 79 ASP H 1 86 THR HA . . 5.670 4.652 4.588 4.973 . 0 0 "[ . 1 . 2]" 1
3158 1 79 ASP H 1 86 THR MG . . 5.710 4.283 4.167 4.925 . 0 0 "[ . 1 . 2]" 1
3159 1 79 ASP H 1 87 LEU H . . 5.830 5.035 4.954 5.114 . 0 0 "[ . 1 . 2]" 1
3160 1 79 ASP H 1 87 LEU HB2 . . 5.810 5.552 5.423 5.614 . 0 0 "[ . 1 . 2]" 1
3161 1 79 ASP H 1 87 LEU HG . . 5.880 5.109 4.964 5.203 . 0 0 "[ . 1 . 2]" 1
3162 1 79 ASP H 1 87 LEU MD1 . . 5.730 4.575 4.360 4.695 . 0 0 "[ . 1 . 2]" 1
3163 1 79 ASP HA 1 80 ILE H . . 5.240 2.170 2.153 2.216 . 0 0 "[ . 1 . 2]" 1
3164 1 79 ASP HA 1 80 ILE HA . . 5.820 4.301 4.278 4.402 . 0 0 "[ . 1 . 2]" 1
3165 1 79 ASP HA 1 80 ILE HB . . 5.870 4.584 4.544 4.656 . 0 0 "[ . 1 . 2]" 1
3166 1 79 ASP HA 1 80 ILE HG13 . . 5.890 3.545 3.466 3.739 . 0 0 "[ . 1 . 2]" 1
3167 1 79 ASP HA 1 80 ILE MD . . 5.860 4.878 4.829 5.074 . 0 0 "[ . 1 . 2]" 1
3168 1 79 ASP HA 1 80 ILE MG . . 6.000 5.424 5.402 5.496 . 0 0 "[ . 1 . 2]" 1
3169 1 79 ASP HA 1 81 TYR H . . 5.700 4.079 3.959 4.121 . 0 0 "[ . 1 . 2]" 1
3170 1 79 ASP HA 1 85 CYS HA . . 6.000 5.603 5.560 5.665 . 0 0 "[ . 1 . 2]" 1
3171 1 79 ASP HA 1 85 CYS HB2 . . 6.000 4.675 4.478 4.761 . 0 0 "[ . 1 . 2]" 1
3172 1 79 ASP HA 1 86 THR H . . 5.750 4.428 4.358 4.551 . 0 0 "[ . 1 . 2]" 1
3173 1 79 ASP HA 1 86 THR HA . . 5.360 2.308 2.217 2.655 . 0 0 "[ . 1 . 2]" 1
3174 1 79 ASP HA 1 86 THR HB . . 6.000 5.268 5.169 5.626 . 0 0 "[ . 1 . 2]" 1
3175 1 79 ASP HA 1 86 THR MG . . 5.720 3.446 3.318 3.909 . 0 0 "[ . 1 . 2]" 1
3176 1 79 ASP HA 1 87 LEU H . . 5.580 3.448 3.304 3.547 . 0 0 "[ . 1 . 2]" 1
3177 1 79 ASP HA 1 87 LEU HB2 . . 6.000 4.560 4.455 4.675 . 0 0 "[ . 1 . 2]" 1
3178 1 79 ASP HA 1 87 LEU HG . . 5.700 3.017 2.868 3.276 . 0 0 "[ . 1 . 2]" 1
3179 1 79 ASP HA 1 87 LEU MD1 . . 5.860 3.794 3.727 3.962 . 0 0 "[ . 1 . 2]" 1
3180 1 79 ASP HA 1 87 LEU MD2 . . 5.840 4.403 4.267 4.667 . 0 0 "[ . 1 . 2]" 1
3181 1 79 ASP HB2 1 80 ILE H . . 5.860 3.032 2.937 4.177 . 0 0 "[ . 1 . 2]" 1
3182 1 79 ASP HB2 1 82 SER HA . . 5.700 3.410 2.186 3.540 . 0 0 "[ . 1 . 2]" 1
3183 1 79 ASP HB2 1 83 GLY H . . 5.610 2.634 2.566 2.946 . 0 0 "[ . 1 . 2]" 1
3184 1 79 ASP HB2 1 86 THR HA . . 5.870 3.702 3.540 5.049 . 0 0 "[ . 1 . 2]" 1
3185 1 79 ASP HB3 1 80 ILE H . . 5.890 3.690 3.058 3.763 . 0 0 "[ . 1 . 2]" 1
3186 1 79 ASP HB3 1 82 SER HA . . 5.700 4.499 3.076 4.651 . 0 0 "[ . 1 . 2]" 1
3187 1 79 ASP HB3 1 83 GLY H . . 5.610 3.779 2.221 3.941 . 0 0 "[ . 1 . 2]" 1
3188 1 79 ASP HB3 1 86 THR HA . . 5.870 2.535 2.351 4.352 . 0 0 "[ . 1 . 2]" 1
3189 1 79 ASP QB 1 80 ILE H . . 5.710 2.867 2.830 2.986 . 0 0 "[ . 1 . 2]" 1
3190 1 79 ASP QB 1 81 TYR H . . 5.480 2.933 2.866 2.984 . 0 0 "[ . 1 . 2]" 1
3191 1 79 ASP QB 1 81 TYR HA . . 5.940 5.017 4.670 5.093 . 0 0 "[ . 1 . 2]" 1
3192 1 79 ASP QB 1 82 SER H . . 5.890 2.476 2.045 2.573 . 0 0 "[ . 1 . 2]" 1
3193 1 79 ASP QB 1 82 SER HA . . 5.510 3.313 2.143 3.437 . 0 0 "[ . 1 . 2]" 1
3194 1 79 ASP QB 1 82 SER HB2 . . 6.000 5.110 4.072 5.240 . 0 0 "[ . 1 . 2]" 1
3195 1 79 ASP QB 1 84 CYS H . . 5.520 3.125 2.849 3.205 . 0 0 "[ . 1 . 2]" 1
3196 1 79 ASP QB 1 86 THR HA . . 5.730 2.489 2.319 4.110 . 0 0 "[ . 1 . 2]" 1
3197 1 79 ASP QB 1 86 THR MG . . 5.950 2.626 2.416 4.595 . 0 0 "[ . 1 . 2]" 1
3198 1 79 ASP QB 1 87 LEU H . . 6.000 4.170 3.990 5.223 . 0 0 "[ . 1 . 2]" 1
3199 1 80 ILE H 1 80 ILE HG12 . . 5.430 3.485 3.420 3.516 . 0 0 "[ . 1 . 2]" 1
3200 1 80 ILE H 1 80 ILE HG13 . . 5.200 2.160 2.079 2.186 . 0 0 "[ . 1 . 2]" 1
3201 1 80 ILE H 1 80 ILE MD . . 5.260 3.487 3.442 3.553 . 0 0 "[ . 1 . 2]" 1
3202 1 80 ILE H 1 81 TYR H . . 5.320 2.488 2.436 2.535 . 0 0 "[ . 1 . 2]" 1
3203 1 80 ILE H 1 81 TYR QD . . 5.800 4.234 4.177 4.318 . 0 0 "[ . 1 . 2]" 1
3204 1 80 ILE H 1 85 CYS HA . . 5.820 4.809 4.746 4.873 . 0 0 "[ . 1 . 2]" 1
3205 1 80 ILE H 1 85 CYS HB2 . . 5.640 2.997 2.860 3.075 . 0 0 "[ . 1 . 2]" 1
3206 1 80 ILE H 1 85 CYS HB3 . . 5.460 3.401 3.339 3.459 . 0 0 "[ . 1 . 2]" 1
3207 1 80 ILE H 1 86 THR H . . 5.850 4.783 4.715 4.996 . 0 0 "[ . 1 . 2]" 1
3208 1 80 ILE H 1 86 THR HA . . 5.520 3.728 3.622 4.066 . 0 0 "[ . 1 . 2]" 1
3209 1 80 ILE H 1 86 THR MG . . 5.880 5.105 4.991 5.510 . 0 0 "[ . 1 . 2]" 1
3210 1 80 ILE H 1 87 LEU H . . 5.770 5.054 4.772 5.171 . 0 0 "[ . 1 . 2]" 1
3211 1 80 ILE H 1 87 LEU HG . . 5.700 3.513 3.383 3.580 . 0 0 "[ . 1 . 2]" 1
3212 1 80 ILE H 1 87 LEU MD1 . . 5.620 3.908 3.828 4.080 . 0 0 "[ . 1 . 2]" 1
3213 1 80 ILE H 1 87 LEU MD2 . . 5.340 4.092 3.929 4.177 . 0 0 "[ . 1 . 2]" 1
3214 1 80 ILE HA 1 81 TYR HA . . 5.800 4.630 4.619 4.654 . 0 0 "[ . 1 . 2]" 1
3215 1 80 ILE HA 1 85 CYS HB3 . . 5.800 5.328 5.254 5.391 . 0 0 "[ . 1 . 2]" 1
3216 1 80 ILE HA 1 87 LEU HG . . 5.610 5.183 4.828 5.292 . 0 0 "[ . 1 . 2]" 1
3217 1 80 ILE HA 1 87 LEU MD1 . . 5.250 4.091 3.778 4.214 . 0 0 "[ . 1 . 2]" 1
3218 1 80 ILE HA 1 87 LEU MD2 . . 5.670 5.157 4.749 5.280 . 0 0 "[ . 1 . 2]" 1
3219 1 80 ILE HB 1 81 TYR H . . 5.430 2.550 2.497 2.581 . 0 0 "[ . 1 . 2]" 1
3220 1 80 ILE HB 1 81 TYR HA . . 5.780 4.405 4.309 4.433 . 0 0 "[ . 1 . 2]" 1
3221 1 80 ILE HB 1 81 TYR HB2 . . 5.820 4.241 4.178 4.276 . 0 0 "[ . 1 . 2]" 1
3222 1 80 ILE HB 1 81 TYR HB3 . . 5.930 5.558 5.467 5.594 . 0 0 "[ . 1 . 2]" 1
3223 1 80 ILE HB 1 81 TYR QD . . 5.460 2.543 2.471 2.632 . 0 0 "[ . 1 . 2]" 1
3224 1 80 ILE HB 1 81 TYR QE . . 5.650 3.979 3.911 4.066 . 0 0 "[ . 1 . 2]" 1
3225 1 80 ILE HB 1 85 CYS HA . . 5.800 4.811 4.724 4.980 . 0 0 "[ . 1 . 2]" 1
3226 1 80 ILE HB 1 85 CYS HB2 . . 5.490 2.315 2.268 2.443 . 0 0 "[ . 1 . 2]" 1
3227 1 80 ILE HB 1 85 CYS HB3 . . 5.480 2.520 2.421 2.655 . 0 0 "[ . 1 . 2]" 1
3228 1 80 ILE HB 1 87 LEU MD2 . . 5.600 4.454 4.305 4.529 . 0 0 "[ . 1 . 2]" 1
3229 1 80 ILE HG12 1 81 TYR H . . 5.910 4.976 4.918 5.000 . 0 0 "[ . 1 . 2]" 1
3230 1 80 ILE HG12 1 87 LEU MD2 . . 5.490 3.366 2.760 3.507 . 0 0 "[ . 1 . 2]" 1
3231 1 80 ILE HG13 1 81 TYR H . . 5.710 4.175 4.083 4.214 . 0 0 "[ . 1 . 2]" 1
3232 1 80 ILE HG13 1 81 TYR QD . . 5.890 4.964 4.889 5.022 . 0 0 "[ . 1 . 2]" 1
3233 1 80 ILE HG13 1 85 CYS HB2 . . 5.760 3.988 3.710 4.094 . 0 0 "[ . 1 . 2]" 1
3234 1 80 ILE HG13 1 85 CYS HB3 . . 5.660 3.423 3.167 3.514 . 0 0 "[ . 1 . 2]" 1
3235 1 80 ILE HG13 1 86 THR H . . 5.930 5.975 5.902 6.001 0.071 4 0 "[ . 1 . 2]" 1
3236 1 80 ILE HG13 1 87 LEU H . . 5.840 5.329 4.923 5.455 . 0 0 "[ . 1 . 2]" 1
3237 1 80 ILE HG13 1 87 LEU MD2 . . 5.120 2.607 2.380 2.711 . 0 0 "[ . 1 . 2]" 1
3238 1 80 ILE MD 1 81 TYR H . . 5.730 4.456 4.345 4.507 . 0 0 "[ . 1 . 2]" 1
3239 1 80 ILE MD 1 81 TYR QD . . 5.630 3.944 3.814 4.006 . 0 0 "[ . 1 . 2]" 1
3240 1 80 ILE MD 1 81 TYR QE . . 5.600 4.183 4.049 4.241 . 0 0 "[ . 1 . 2]" 1
3241 1 80 ILE MD 1 85 CYS HA . . 5.770 4.302 4.256 4.401 . 0 0 "[ . 1 . 2]" 1
3242 1 80 ILE MD 1 85 CYS HB2 . . 5.470 3.440 3.293 3.513 . 0 0 "[ . 1 . 2]" 1
3243 1 80 ILE MD 1 85 CYS HB3 . . 5.360 2.220 2.108 2.306 . 0 0 "[ . 1 . 2]" 1
3244 1 80 ILE MD 1 87 LEU H . . 5.910 5.883 5.630 5.940 0.030 19 0 "[ . 1 . 2]" 1
3245 1 80 ILE MD 1 87 LEU MD2 . . 5.180 2.031 1.986 2.057 . 0 0 "[ . 1 . 2]" 1
3246 1 80 ILE MG 1 81 TYR H . . 5.520 3.440 3.368 3.491 . 0 0 "[ . 1 . 2]" 1
3247 1 80 ILE MG 1 81 TYR HA . . 5.580 3.530 3.453 3.585 . 0 0 "[ . 1 . 2]" 1
3248 1 80 ILE MG 1 81 TYR HB2 . . 5.790 4.630 4.513 4.713 . 0 0 "[ . 1 . 2]" 1
3249 1 80 ILE MG 1 81 TYR HB3 . . 5.880 5.230 5.131 5.294 . 0 0 "[ . 1 . 2]" 1
3250 1 80 ILE MG 1 81 TYR QD . . 5.270 2.963 2.741 3.195 . 0 0 "[ . 1 . 2]" 1
3251 1 80 ILE MG 1 81 TYR QE . . 5.240 3.181 3.033 3.343 . 0 0 "[ . 1 . 2]" 1
3252 1 80 ILE MG 1 82 SER H . . 5.930 4.870 4.828 4.900 . 0 0 "[ . 1 . 2]" 1
3253 1 80 ILE MG 1 85 CYS HB2 . . 5.770 3.811 3.742 3.987 . 0 0 "[ . 1 . 2]" 1
3254 1 80 ILE MG 1 85 CYS HB3 . . 5.540 3.848 3.749 4.001 . 0 0 "[ . 1 . 2]" 1
3255 1 80 ILE MG 1 87 LEU HG . . 5.860 5.565 5.339 5.635 . 0 0 "[ . 1 . 2]" 1
3256 1 80 ILE MG 1 87 LEU MD1 . . 5.690 4.409 4.338 4.514 . 0 0 "[ . 1 . 2]" 1
3257 1 80 ILE MG 1 87 LEU MD2 . . 5.340 4.554 4.305 4.632 . 0 0 "[ . 1 . 2]" 1
3258 1 81 TYR H 1 81 TYR QE . . 5.860 4.923 4.874 4.973 . 0 0 "[ . 1 . 2]" 1
3259 1 81 TYR H 1 82 SER HA . . 5.830 4.810 4.791 4.830 . 0 0 "[ . 1 . 2]" 1
3260 1 81 TYR H 1 82 SER QB . . 6.000 5.022 5.009 5.048 . 0 0 "[ . 1 . 2]" 1
3261 1 81 TYR H 1 84 CYS H . . 5.790 3.513 3.432 3.576 . 0 0 "[ . 1 . 2]" 1
3262 1 81 TYR H 1 85 CYS HA . . 5.930 5.171 5.109 5.313 . 0 0 "[ . 1 . 2]" 1
3263 1 81 TYR H 1 85 CYS HB2 . . 5.460 2.388 2.328 2.461 . 0 0 "[ . 1 . 2]" 1
3264 1 81 TYR H 1 85 CYS HB3 . . 5.520 3.866 3.786 3.969 . 0 0 "[ . 1 . 2]" 1
3265 1 81 TYR H 1 87 LEU MD2 . . 6.000 5.957 5.820 6.027 0.027 10 0 "[ . 1 . 2]" 1
3266 1 81 TYR HA 1 85 CYS HB2 . . 5.930 4.690 4.624 4.864 . 0 0 "[ . 1 . 2]" 1
3267 1 81 TYR HB2 1 82 SER H . . 5.300 3.830 3.803 3.849 . 0 0 "[ . 1 . 2]" 1
3268 1 81 TYR HB2 1 82 SER HB3 . . 5.770 5.846 5.826 5.869 0.099 17 0 "[ . 1 . 2]" 1
3269 1 81 TYR HB2 1 84 CYS H . . 5.670 2.547 2.475 2.617 . 0 0 "[ . 1 . 2]" 1
3270 1 81 TYR HB2 1 85 CYS HB2 . . 5.890 2.969 2.865 3.142 . 0 0 "[ . 1 . 2]" 1
3271 1 81 TYR HB3 1 82 SER H . . 5.390 4.181 4.168 4.199 . 0 0 "[ . 1 . 2]" 1
3272 1 81 TYR HB3 1 82 SER HB2 . . 5.930 5.815 5.785 5.849 . 0 0 "[ . 1 . 2]" 1
3273 1 81 TYR HB3 1 82 SER HB3 . . 5.850 4.953 4.934 4.977 . 0 0 "[ . 1 . 2]" 1
3274 1 81 TYR HB3 1 85 CYS HB2 . . 5.930 4.665 4.566 4.849 . 0 0 "[ . 1 . 2]" 1
3275 1 81 TYR QD 1 82 SER H . . 5.610 4.852 4.818 4.901 . 0 0 "[ . 1 . 2]" 1
3276 1 81 TYR QD 1 82 SER HB3 . . 5.920 5.897 5.841 5.936 0.016 20 0 "[ . 1 . 2]" 1
3277 1 81 TYR QD 1 85 CYS HB2 . . 5.330 2.100 2.066 2.233 . 0 0 "[ . 1 . 2]" 1
3278 1 81 TYR QD 1 85 CYS HB3 . . 5.460 3.215 3.168 3.365 . 0 0 "[ . 1 . 2]" 1
3279 1 81 TYR QE 1 85 CYS HB2 . . 5.750 4.125 4.044 4.212 . 0 0 "[ . 1 . 2]" 1
3280 1 81 TYR QE 1 85 CYS HB3 . . 5.660 4.390 4.326 4.498 . 0 0 "[ . 1 . 2]" 1
3281 1 82 SER H 1 83 GLY H . . 5.610 2.567 2.543 2.587 . 0 0 "[ . 1 . 2]" 1
3282 1 82 SER HA 1 83 GLY H . . 4.790 2.802 2.759 2.844 . 0 0 "[ . 1 . 2]" 1
3283 1 82 SER HB2 1 83 GLY H . . 5.630 4.602 4.588 4.621 . 0 0 "[ . 1 . 2]" 1
3284 1 82 SER HB3 1 83 GLY H . . 5.760 4.273 4.237 4.319 . 0 0 "[ . 1 . 2]" 1
3285 1 83 GLY H 1 84 CYS H . . 5.210 1.726 1.713 1.742 . 0 0 "[ . 1 . 2]" 1
3286 1 83 GLY H 1 84 CYS HA . . 5.860 4.169 4.132 4.230 . 0 0 "[ . 1 . 2]" 1
3287 1 83 GLY QA 1 84 CYS H . . 5.270 2.866 2.851 2.895 . 0 0 "[ . 1 . 2]" 1
3288 1 84 CYS H 1 85 CYS H . . 5.720 4.366 4.351 4.374 . 0 0 "[ . 1 . 2]" 1
3289 1 84 CYS HA 1 85 CYS H . . 5.120 2.690 2.670 2.718 . 0 0 "[ . 1 . 2]" 1
3290 1 84 CYS HA 1 85 CYS HA . . 5.780 4.647 4.635 4.679 . 0 0 "[ . 1 . 2]" 1
3291 1 84 CYS HA 1 86 THR H . . 5.580 3.362 3.315 3.590 . 0 0 "[ . 1 . 2]" 1
3292 1 84 CYS HB2 1 85 CYS H . . 5.270 3.255 3.164 3.296 . 0 0 "[ . 1 . 2]" 1
3293 1 84 CYS HB2 1 85 CYS HA . . 5.820 5.086 4.966 5.137 . 0 0 "[ . 1 . 2]" 1
3294 1 84 CYS HB3 1 85 CYS H . . 5.170 2.054 2.016 2.102 . 0 0 "[ . 1 . 2]" 1
3295 1 84 CYS HB3 1 85 CYS HA . . 5.770 4.185 4.149 4.239 . 0 0 "[ . 1 . 2]" 1
3296 1 85 CYS H 1 86 THR H . . 5.190 2.779 2.747 2.835 . 0 0 "[ . 1 . 2]" 1
3297 1 85 CYS H 1 86 THR HB . . 5.930 5.591 5.540 5.639 . 0 0 "[ . 1 . 2]" 1
3298 1 85 CYS HA 1 86 THR H . . 5.040 2.836 2.759 2.871 . 0 0 "[ . 1 . 2]" 1
3299 1 85 CYS HA 1 86 THR HB . . 5.860 5.306 5.179 5.351 . 0 0 "[ . 1 . 2]" 1
3300 1 85 CYS HB2 1 86 THR H . . 5.870 4.341 4.313 4.423 . 0 0 "[ . 1 . 2]" 1
3301 1 85 CYS HB3 1 86 THR H . . 5.730 4.493 4.481 4.507 . 0 0 "[ . 1 . 2]" 1
3302 1 86 THR H 1 87 LEU H . . 5.780 4.692 4.641 4.708 . 0 0 "[ . 1 . 2]" 1
3303 1 86 THR H 1 87 LEU HG . . 5.930 5.331 5.259 5.582 . 0 0 "[ . 1 . 2]" 1
3304 1 86 THR HA 1 87 LEU H . . 5.050 2.281 2.154 2.318 . 0 0 "[ . 1 . 2]" 1
3305 1 86 THR HA 1 87 LEU HA . . 5.740 4.333 4.300 4.345 . 0 0 "[ . 1 . 2]" 1
3306 1 86 THR HA 1 87 LEU HB2 . . 5.820 4.458 4.428 4.485 . 0 0 "[ . 1 . 2]" 1
3307 1 86 THR HA 1 87 LEU HG . . 5.550 3.300 3.215 3.668 . 0 0 "[ . 1 . 2]" 1
3308 1 86 THR HA 1 87 LEU MD1 . . 5.740 4.660 4.590 4.897 . 0 0 "[ . 1 . 2]" 1
3309 1 86 THR HA 1 87 LEU MD2 . . 5.930 4.259 4.164 4.601 . 0 0 "[ . 1 . 2]" 1
3310 1 86 THR HB 1 87 LEU H . . 5.600 3.543 3.457 3.880 . 0 0 "[ . 1 . 2]" 1
3311 1 86 THR MG 1 87 LEU H . . 5.120 2.079 1.983 2.444 . 0 0 "[ . 1 . 2]" 1
3312 1 86 THR MG 1 87 LEU HB2 . . 5.670 4.133 4.064 4.195 . 0 0 "[ . 1 . 2]" 1
3313 1 86 THR MG 1 87 LEU MD1 . . 5.720 4.931 4.886 5.121 . 0 0 "[ . 1 . 2]" 1
3314 1 86 THR MG 1 88 LYS H . . 5.570 5.384 5.217 5.433 . 0 0 "[ . 1 . 2]" 1
3315 1 86 THR MG 1 88 LYS HA . . 5.500 5.419 5.132 5.511 0.011 4 0 "[ . 1 . 2]" 1
3316 1 86 THR MG 1 88 LYS QE . . 5.830 4.640 3.175 5.851 0.021 9 0 "[ . 1 . 2]" 1
3317 1 86 THR MG 1 88 LYS QG . . 5.460 4.270 3.760 5.543 0.083 13 0 "[ . 1 . 2]" 1
3318 1 87 LEU H 1 87 LEU HG . . 5.240 2.747 2.631 2.798 . 0 0 "[ . 1 . 2]" 1
3319 1 87 LEU H 1 87 LEU MD1 . . 5.460 3.838 3.688 3.881 . 0 0 "[ . 1 . 2]" 1
3320 1 87 LEU H 1 87 LEU MD2 . . 5.670 3.739 3.671 3.778 . 0 0 "[ . 1 . 2]" 1
3321 1 87 LEU H 1 88 LYS H . . 5.650 4.512 4.489 4.555 . 0 0 "[ . 1 . 2]" 1
3322 1 87 LEU H 1 88 LYS HA . . 5.820 5.233 5.183 5.384 . 0 0 "[ . 1 . 2]" 1
3323 1 87 LEU H 1 88 LYS QB . . 5.930 5.861 5.414 6.000 0.070 12 0 "[ . 1 . 2]" 1
3324 1 87 LEU HA 1 88 LYS H . . 4.940 2.188 2.163 2.237 . 0 0 "[ . 1 . 2]" 1
3325 1 87 LEU HA 1 88 LYS HA . . 5.740 4.481 4.467 4.500 . 0 0 "[ . 1 . 2]" 1
3326 1 87 LEU HA 1 88 LYS HB2 . . 5.760 4.415 4.077 4.497 . 0 0 "[ . 1 . 2]" 1
3327 1 87 LEU HA 1 88 LYS HB3 . . 5.930 5.641 4.863 5.723 . 0 0 "[ . 1 . 2]" 1
3328 1 87 LEU HA 1 89 ILE MD . . 5.850 5.306 5.067 5.450 . 0 0 "[ . 1 . 2]" 1
3329 1 87 LEU HB2 1 88 LYS H . . 5.740 3.807 3.749 3.909 . 0 0 "[ . 1 . 2]" 1
3330 1 87 LEU HB2 1 88 LYS HA . . 5.870 4.495 4.432 4.628 . 0 0 "[ . 1 . 2]" 1
3331 1 87 LEU HB2 1 89 ILE H . . 5.840 5.887 5.786 5.920 0.080 6 0 "[ . 1 . 2]" 1
3332 1 87 LEU HB2 1 89 ILE HG12 . . 5.790 4.860 4.723 5.229 . 0 0 "[ . 1 . 2]" 1
3333 1 87 LEU HB2 1 89 ILE HG13 . . 5.770 3.906 3.786 4.060 . 0 0 "[ . 1 . 2]" 1
3334 1 87 LEU HB2 1 89 ILE MD . . 5.500 3.673 3.507 3.809 . 0 0 "[ . 1 . 2]" 1
3335 1 87 LEU HB3 1 88 LYS H . . 5.730 2.670 2.599 2.759 . 0 0 "[ . 1 . 2]" 1
3336 1 87 LEU HB3 1 88 LYS HA . . 5.920 4.172 4.131 4.201 . 0 0 "[ . 1 . 2]" 1
3337 1 87 LEU HB3 1 89 ILE H . . 5.630 5.256 5.072 5.329 . 0 0 "[ . 1 . 2]" 1
3338 1 87 LEU HB3 1 89 ILE HG12 . . 5.730 3.509 3.333 3.667 . 0 0 "[ . 1 . 2]" 1
3339 1 87 LEU HB3 1 89 ILE MD . . 5.590 3.174 2.941 3.337 . 0 0 "[ . 1 . 2]" 1
3340 1 87 LEU HB3 1 89 ILE MG . . 5.840 5.292 5.127 5.360 . 0 0 "[ . 1 . 2]" 1
3341 1 87 LEU HG 1 88 LYS H . . 5.850 4.871 4.804 4.903 . 0 0 "[ . 1 . 2]" 1
3342 1 87 LEU HG 1 89 ILE MD . . 5.890 5.227 4.942 5.353 . 0 0 "[ . 1 . 2]" 1
3343 1 87 LEU MD1 1 89 ILE HG12 . . 5.850 4.174 3.927 4.365 . 0 0 "[ . 1 . 2]" 1
3344 1 87 LEU MD1 1 89 ILE HG13 . . 5.710 4.190 3.978 4.273 . 0 0 "[ . 1 . 2]" 1
3345 1 87 LEU MD1 1 89 ILE MD . . 5.460 2.922 2.606 3.027 . 0 0 "[ . 1 . 2]" 1
3346 1 87 LEU MD2 1 89 ILE HG13 . . 5.710 4.605 4.159 4.743 . 0 0 "[ . 1 . 2]" 1
3347 1 87 LEU MD2 1 89 ILE MD . . 5.350 4.133 3.603 4.275 . 0 0 "[ . 1 . 2]" 1
3348 1 88 LYS H 1 88 LYS HG2 . . 5.700 4.130 3.350 4.608 . 0 0 "[ . 1 . 2]" 1
3349 1 88 LYS H 1 88 LYS HG3 . . 5.700 3.817 3.447 4.680 . 0 0 "[ . 1 . 2]" 1
3350 1 88 LYS H 1 88 LYS QD . . 5.790 4.611 4.179 5.199 . 0 0 "[ . 1 . 2]" 1
3351 1 88 LYS H 1 88 LYS QE . . 5.980 5.414 4.399 6.044 0.064 15 0 "[ . 1 . 2]" 1
3352 1 88 LYS H 1 89 ILE H . . 5.610 4.320 4.255 4.339 . 0 0 "[ . 1 . 2]" 1
3353 1 88 LYS H 1 89 ILE HA . . 5.860 4.617 4.573 4.660 . 0 0 "[ . 1 . 2]" 1
3354 1 88 LYS H 1 89 ILE HG12 . . 5.920 4.075 3.912 4.209 . 0 0 "[ . 1 . 2]" 1
3355 1 88 LYS HA 1 88 LYS HD2 . . 5.660 4.246 3.016 4.627 . 0 0 "[ . 1 . 2]" 1
3356 1 88 LYS HA 1 88 LYS HD3 . . 5.660 3.789 2.042 4.632 . 0 0 "[ . 1 . 2]" 1
3357 1 88 LYS HA 1 88 LYS HE2 . . 5.760 4.732 2.205 5.852 0.092 15 0 "[ . 1 . 2]" 1
3358 1 88 LYS HA 1 88 LYS HE3 . . 5.760 4.973 2.395 5.940 0.180 5 0 "[ . 1 . 2]" 1
3359 1 88 LYS HA 1 88 LYS QE . . 5.610 4.274 2.037 4.850 . 0 0 "[ . 1 . 2]" 1
3360 1 88 LYS HA 1 89 ILE H . . 4.960 2.258 2.220 2.296 . 0 0 "[ . 1 . 2]" 1
3361 1 88 LYS HA 1 89 ILE HA . . 5.790 4.436 4.422 4.459 . 0 0 "[ . 1 . 2]" 1
3362 1 88 LYS HA 1 89 ILE HB . . 5.880 4.512 4.419 4.668 . 0 0 "[ . 1 . 2]" 1
3363 1 88 LYS HA 1 89 ILE HG12 . . 5.930 4.620 4.533 4.744 . 0 0 "[ . 1 . 2]" 1
3364 1 88 LYS HA 1 89 ILE HG13 . . 5.730 3.216 3.150 3.332 . 0 0 "[ . 1 . 2]" 1
3365 1 88 LYS HA 1 89 ILE MD . . 5.930 4.603 4.528 4.721 . 0 0 "[ . 1 . 2]" 1
3366 1 88 LYS HB2 1 89 ILE H . . 5.760 4.204 4.119 4.479 . 0 0 "[ . 1 . 2]" 1
3367 1 88 LYS HB3 1 89 ILE H . . 5.690 3.111 2.984 3.873 . 0 0 "[ . 1 . 2]" 1
3368 1 88 LYS QD 1 89 ILE H . . 5.790 4.501 3.442 4.855 . 0 0 "[ . 1 . 2]" 1
3369 1 88 LYS QG 1 89 ILE H . . 5.810 3.921 2.483 4.625 . 0 0 "[ . 1 . 2]" 1
3370 1 89 ILE H 1 89 ILE HG12 . . 5.360 3.998 3.907 4.065 . 0 0 "[ . 1 . 2]" 1
3371 1 89 ILE H 1 89 ILE HG13 . . 5.570 2.880 2.822 2.952 . 0 0 "[ . 1 . 2]" 1
3372 1 89 ILE H 1 89 ILE MD . . 5.480 4.101 4.066 4.135 . 0 0 "[ . 1 . 2]" 1
3373 1 89 ILE H 1 90 GLU H . . 5.770 4.390 4.362 4.406 . 0 0 "[ . 1 . 2]" 1
3374 1 89 ILE HA 1 90 GLU H . . 4.930 2.182 2.152 2.199 . 0 0 "[ . 1 . 2]" 1
3375 1 89 ILE HA 1 90 GLU HA . . 5.740 4.471 4.454 4.486 . 0 0 "[ . 1 . 2]" 1
3376 1 89 ILE HA 1 90 GLU HB2 . . 5.930 5.676 5.644 5.707 . 0 0 "[ . 1 . 2]" 1
3377 1 89 ILE HA 1 90 GLU HB3 . . 5.890 4.553 4.482 4.705 . 0 0 "[ . 1 . 2]" 1
3378 1 89 ILE HA 1 90 GLU HG2 . . 5.780 3.789 3.675 4.688 . 0 0 "[ . 1 . 2]" 1
3379 1 89 ILE HA 1 90 GLU HG3 . . 5.780 5.117 5.027 5.716 . 0 0 "[ . 1 . 2]" 1
3380 1 89 ILE HA 1 90 GLU QG . . 5.620 3.693 3.589 4.485 . 0 0 "[ . 1 . 2]" 1
3381 1 89 ILE HB 1 90 GLU H . . 5.660 3.959 3.913 4.005 . 0 0 "[ . 1 . 2]" 1
3382 1 89 ILE HG12 1 90 GLU H . . 5.790 4.439 4.366 4.501 . 0 0 "[ . 1 . 2]" 1
3383 1 89 ILE MD 1 90 GLU H . . 5.890 4.959 4.918 5.005 . 0 0 "[ . 1 . 2]" 1
3384 1 89 ILE MG 1 90 GLU H . . 5.140 2.352 2.317 2.411 . 0 0 "[ . 1 . 2]" 1
3385 1 89 ILE MG 1 90 GLU HA . . 5.540 3.276 3.183 3.334 . 0 0 "[ . 1 . 2]" 1
3386 1 89 ILE MG 1 90 GLU HB2 . . 5.920 5.150 5.098 5.192 . 0 0 "[ . 1 . 2]" 1
3387 1 89 ILE MG 1 90 GLU QG . . 5.830 4.249 4.197 4.585 . 0 0 "[ . 1 . 2]" 1
3388 1 89 ILE MG 1 91 TYR H . . 5.730 4.762 4.693 4.820 . 0 0 "[ . 1 . 2]" 1
3389 1 89 ILE MG 1 91 TYR HA . . 5.750 4.718 4.626 4.818 . 0 0 "[ . 1 . 2]" 1
3390 1 89 ILE MG 1 91 TYR QD . . 5.910 5.421 5.288 5.537 . 0 0 "[ . 1 . 2]" 1
3391 1 89 ILE MG 1 91 TYR QE . . 5.930 5.733 5.632 5.857 . 0 0 "[ . 1 . 2]" 1
3392 1 90 GLU H 1 90 GLU HG2 . . 5.440 2.631 2.569 2.932 . 0 0 "[ . 1 . 2]" 1
3393 1 90 GLU H 1 90 GLU HG3 . . 5.440 3.375 3.293 4.254 . 0 0 "[ . 1 . 2]" 1
3394 1 90 GLU H 1 91 TYR HA . . 5.820 4.722 4.685 4.762 . 0 0 "[ . 1 . 2]" 1
3395 1 90 GLU HA 1 91 TYR H . . 4.970 2.426 2.399 2.448 . 0 0 "[ . 1 . 2]" 1
3396 1 90 GLU HA 1 91 TYR HB2 . . 5.850 4.749 4.708 4.779 . 0 0 "[ . 1 . 2]" 1
3397 1 90 GLU HA 1 91 TYR HB3 . . 5.930 5.880 5.855 5.895 . 0 0 "[ . 1 . 2]" 1
3398 1 90 GLU HA 1 91 TYR QD . . 5.830 4.233 4.042 4.541 . 0 0 "[ . 1 . 2]" 1
3399 1 90 GLU HB2 1 91 TYR H . . 5.490 2.549 2.468 2.609 . 0 0 "[ . 1 . 2]" 1
3400 1 91 TYR H 1 91 TYR QD . . 5.260 2.719 2.582 2.946 . 0 0 "[ . 1 . 2]" 1
3401 1 91 TYR H 1 92 ALA H . . 5.770 4.652 4.624 4.681 . 0 0 "[ . 1 . 2]" 1
3402 1 91 TYR HA 1 91 TYR QE . . 5.860 4.412 4.336 4.475 . 0 0 "[ . 1 . 2]" 1
3403 1 91 TYR HA 1 92 ALA H . . 5.050 2.133 2.094 2.193 . 0 0 "[ . 1 . 2]" 1
3404 1 91 TYR HA 1 92 ALA MB . . 5.600 3.838 3.794 3.866 . 0 0 "[ . 1 . 2]" 1
3405 1 91 TYR HB2 1 92 ALA H . . 5.690 4.202 4.129 4.240 . 0 0 "[ . 1 . 2]" 1
3406 1 91 TYR HB3 1 92 ALA H . . 5.340 2.976 2.850 3.044 . 0 0 "[ . 1 . 2]" 1
3407 1 91 TYR HB3 1 92 ALA MB . . 5.830 4.592 4.530 4.637 . 0 0 "[ . 1 . 2]" 1
3408 1 91 TYR HB3 1 93 LYS HA . . 5.930 5.497 5.273 5.874 . 0 0 "[ . 1 . 2]" 1
3409 1 91 TYR QD 1 92 ALA H . . 5.360 3.064 2.878 3.198 . 0 0 "[ . 1 . 2]" 1
3410 1 91 TYR QD 1 92 ALA MB . . 5.820 4.485 4.344 4.655 . 0 0 "[ . 1 . 2]" 1
3411 1 91 TYR QE 1 92 ALA H . . 5.880 5.179 5.060 5.264 . 0 0 "[ . 1 . 2]" 1
3412 1 92 ALA H 1 93 LYS H . . 5.790 4.633 4.598 4.666 . 0 0 "[ . 1 . 2]" 1
3413 1 92 ALA H 1 94 PRO QD . . 5.910 4.987 4.756 5.350 . 0 0 "[ . 1 . 2]" 1
3414 1 92 ALA HA 1 93 LYS HA . . 5.840 4.368 4.331 4.398 . 0 0 "[ . 1 . 2]" 1
3415 1 92 ALA HA 1 94 PRO QD . . 5.810 3.519 3.367 3.710 . 0 0 "[ . 1 . 2]" 1
3416 1 92 ALA MB 1 93 LYS H . . 5.210 2.516 2.361 2.685 . 0 0 "[ . 1 . 2]" 1
3417 1 92 ALA MB 1 93 LYS HA . . 5.720 4.272 4.211 4.355 . 0 0 "[ . 1 . 2]" 1
3418 1 92 ALA MB 1 93 LYS QG . . 5.430 4.020 3.899 4.260 . 0 0 "[ . 1 . 2]" 1
3419 1 92 ALA MB 1 94 PRO HB2 . . 5.890 5.028 4.942 5.100 . 0 0 "[ . 1 . 2]" 1
3420 1 92 ALA MB 1 94 PRO HB3 . . 5.820 5.216 5.139 5.367 . 0 0 "[ . 1 . 2]" 1
3421 1 92 ALA MB 1 94 PRO QD . . 5.100 2.051 1.940 2.328 . 0 0 "[ . 1 . 2]" 1
3422 1 92 ALA MB 1 94 PRO HG2 . . 5.460 3.068 2.973 3.152 . 0 0 "[ . 1 . 2]" 1
3423 1 92 ALA MB 1 94 PRO HG3 . . 5.610 3.850 3.695 4.100 . 0 0 "[ . 1 . 2]" 1
3424 1 93 LYS H 1 93 LYS HD2 . . 5.770 4.626 3.836 4.865 . 0 0 "[ . 1 . 2]" 1
3425 1 93 LYS H 1 93 LYS HD3 . . 5.770 4.393 4.101 4.789 . 0 0 "[ . 1 . 2]" 1
3426 1 93 LYS H 1 93 LYS HG2 . . 5.590 2.660 2.016 3.711 . 0 0 "[ . 1 . 2]" 1
3427 1 93 LYS H 1 93 LYS HG3 . . 5.590 2.819 2.092 3.206 . 0 0 "[ . 1 . 2]" 1
3428 1 93 LYS H 1 93 LYS QE . . 5.880 3.991 3.288 4.327 . 0 0 "[ . 1 . 2]" 1
3429 1 93 LYS H 1 94 PRO QD . . 5.390 1.941 1.812 2.043 . 0 0 "[ . 1 . 2]" 1
3430 1 93 LYS H 1 94 PRO HG2 . . 5.760 4.297 4.101 4.454 . 0 0 "[ . 1 . 2]" 1
3431 1 93 LYS H 1 94 PRO HG3 . . 5.740 4.472 4.340 4.592 . 0 0 "[ . 1 . 2]" 1
3432 1 93 LYS HA 1 93 LYS HD2 . . 5.750 4.667 4.345 4.817 . 0 0 "[ . 1 . 2]" 1
3433 1 93 LYS HA 1 93 LYS HD3 . . 5.610 4.653 4.397 4.750 . 0 0 "[ . 1 . 2]" 1
3434 1 93 LYS HA 1 93 LYS QE . . 5.880 5.200 4.348 5.665 . 0 0 "[ . 1 . 2]" 1
3435 1 93 LYS HA 1 94 PRO HG2 . . 5.930 5.713 5.643 5.784 . 0 0 "[ . 1 . 2]" 1
3436 1 93 LYS HB2 1 94 PRO HA . . 5.800 4.643 4.396 4.766 . 0 0 "[ . 1 . 2]" 1
3437 1 93 LYS HB2 1 94 PRO QD . . 5.480 3.109 1.938 3.898 . 0 0 "[ . 1 . 2]" 1
3438 1 93 LYS HB3 1 94 PRO QD . . 5.590 3.621 3.129 3.891 . 0 0 "[ . 1 . 2]" 1
3439 1 93 LYS HD2 1 94 PRO QD . . 5.780 4.265 3.578 4.654 . 0 0 "[ . 1 . 2]" 1
3440 1 93 LYS HD3 1 94 PRO QD . . 5.840 4.636 4.363 5.218 . 0 0 "[ . 1 . 2]" 1
3441 1 93 LYS HG2 1 94 PRO QD . . 5.660 3.135 2.182 4.503 . 0 0 "[ . 1 . 2]" 1
3442 1 93 LYS HG3 1 94 PRO QD . . 5.660 2.705 2.055 3.738 . 0 0 "[ . 1 . 2]" 1
3443 1 93 LYS QE 1 94 PRO QD . . 5.860 3.669 2.981 4.778 . 0 0 "[ . 1 . 2]" 1
3444 1 93 LYS QG 1 94 PRO QD . . 5.430 2.544 1.892 3.563 . 0 0 "[ . 1 . 2]" 1
3445 1 94 PRO HA 1 95 THR H . . 5.000 2.479 2.402 2.553 . 0 0 "[ . 1 . 2]" 1
3446 1 94 PRO HA 1 95 THR MG . . 5.480 4.358 2.957 5.243 . 0 0 "[ . 1 . 2]" 1
3447 1 94 PRO HB2 1 95 THR H . . 5.490 2.572 2.368 2.805 . 0 0 "[ . 1 . 2]" 1
3448 1 94 PRO HB2 1 95 THR HA . . 5.800 4.295 4.250 4.434 . 0 0 "[ . 1 . 2]" 1
3449 1 94 PRO HB2 1 95 THR HB . . 5.890 5.754 5.151 6.053 0.163 17 0 "[ . 1 . 2]" 1
3450 1 94 PRO HB2 1 95 THR MG . . 5.930 5.141 4.330 5.713 . 0 0 "[ . 1 . 2]" 1
3451 1 94 PRO HB2 1 96 ARG H . . 5.190 2.985 2.862 3.128 . 0 0 "[ . 1 . 2]" 1
3452 1 94 PRO HB2 1 96 ARG HB3 . . 5.830 5.540 5.198 5.864 0.034 1 0 "[ . 1 . 2]" 1
3453 1 94 PRO HB3 1 95 THR H . . 5.650 3.637 3.522 3.793 . 0 0 "[ . 1 . 2]" 1
3454 1 94 PRO QD 1 95 THR H . . 5.920 4.911 4.867 4.973 . 0 0 "[ . 1 . 2]" 1
3455 1 94 PRO HG2 1 95 THR H . . 5.660 4.211 4.061 4.402 . 0 0 "[ . 1 . 2]" 1
3456 1 94 PRO HG2 1 96 ARG H . . 5.710 4.566 4.392 4.743 . 0 0 "[ . 1 . 2]" 1
3457 1 94 PRO HG3 1 95 THR H . . 5.820 5.073 4.910 5.241 . 0 0 "[ . 1 . 2]" 1
3458 1 94 PRO HG3 1 96 ARG H . . 5.900 5.480 5.305 5.624 . 0 0 "[ . 1 . 2]" 1
3459 1 95 THR H 1 96 ARG H . . 4.870 2.159 2.005 2.315 . 0 0 "[ . 1 . 2]" 1
3460 1 95 THR H 1 96 ARG HA . . 5.830 4.827 4.731 4.889 . 0 0 "[ . 1 . 2]" 1
3461 1 95 THR H 1 96 ARG HB2 . . 5.570 4.709 4.410 4.873 . 0 0 "[ . 1 . 2]" 1
3462 1 95 THR H 1 96 ARG HB3 . . 5.620 4.217 4.006 4.742 . 0 0 "[ . 1 . 2]" 1
3463 1 95 THR HA 1 96 ARG H . . 5.050 3.220 3.036 3.337 . 0 0 "[ . 1 . 2]" 1
3464 1 95 THR HA 1 96 ARG HA . . 5.710 4.365 4.298 4.440 . 0 0 "[ . 1 . 2]" 1
3465 1 95 THR HB 1 96 ARG H . . 5.790 4.277 3.905 4.592 . 0 0 "[ . 1 . 2]" 1
3466 1 95 THR MG 1 96 ARG H . . 5.580 4.149 3.164 4.411 . 0 0 "[ . 1 . 2]" 1
3467 1 95 THR MG 1 96 ARG HB2 . . 5.540 4.446 2.809 5.253 . 0 0 "[ . 1 . 2]" 1
3468 1 95 THR MG 1 96 ARG HB3 . . 5.770 5.072 3.167 5.559 . 0 0 "[ . 1 . 2]" 1
3469 1 96 ARG H 1 96 ARG QD . . 5.690 4.397 4.069 5.304 . 0 0 "[ . 1 . 2]" 1
3470 1 96 ARG H 1 97 LEU H . . 5.640 4.144 3.831 4.245 . 0 0 "[ . 1 . 2]" 1
3471 1 96 ARG H 1 97 LEU HA . . 5.930 4.690 4.591 4.730 . 0 0 "[ . 1 . 2]" 1
3472 1 96 ARG H 1 97 LEU HG . . 5.930 4.936 4.789 5.152 . 0 0 "[ . 1 . 2]" 1
3473 1 96 ARG H 1 97 LEU QD . . 5.730 5.026 4.902 5.164 . 0 0 "[ . 1 . 2]" 1
3474 1 96 ARG HA 1 96 ARG HE . . 5.710 4.560 2.954 5.026 . 0 0 "[ . 1 . 2]" 1
3475 1 96 ARG HA 1 97 LEU H . . 4.930 2.141 2.121 2.207 . 0 0 "[ . 1 . 2]" 1
3476 1 96 ARG HA 1 97 LEU HB2 . . 5.790 4.293 4.271 4.340 . 0 0 "[ . 1 . 2]" 1
3477 1 96 ARG HE 1 97 LEU H . . 5.430 3.801 2.815 4.219 . 0 0 "[ . 1 . 2]" 1
3478 1 96 ARG HE 1 97 LEU HB2 . . 5.760 4.556 3.806 5.054 . 0 0 "[ . 1 . 2]" 1
3479 1 96 ARG HE 1 97 LEU HB3 . . 5.720 5.099 4.626 5.361 . 0 0 "[ . 1 . 2]" 1
3480 1 96 ARG HE 1 97 LEU MD2 . . 6.000 6.017 5.707 6.060 0.060 4 0 "[ . 1 . 2]" 1
3481 1 96 ARG HE 1 98 ASN HA . . 5.860 3.395 2.950 4.379 . 0 0 "[ . 1 . 2]" 1
3482 1 96 ARG HE 1 99 VAL QG . . 5.790 5.005 4.357 5.446 . 0 0 "[ . 1 . 2]" 1
3483 1 96 ARG QD 1 97 LEU H . . 5.440 2.919 2.026 4.398 . 0 0 "[ . 1 . 2]" 1
3484 1 96 ARG QG 1 97 LEU H . . 5.310 2.946 2.239 3.660 . 0 0 "[ . 1 . 2]" 1
3485 1 97 LEU H 1 97 LEU HG . . 5.520 2.929 2.756 3.082 . 0 0 "[ . 1 . 2]" 1
3486 1 97 LEU H 1 97 LEU MD1 . . 5.690 3.581 3.414 3.675 . 0 0 "[ . 1 . 2]" 1
3487 1 97 LEU H 1 97 LEU MD2 . . 5.690 4.018 3.943 4.081 . 0 0 "[ . 1 . 2]" 1
3488 1 97 LEU H 1 98 ASN HA . . 5.850 5.295 5.209 5.419 . 0 0 "[ . 1 . 2]" 1
3489 1 97 LEU H 1 99 VAL QG . . 5.840 4.384 4.178 4.691 . 0 0 "[ . 1 . 2]" 1
3490 1 97 LEU HA 1 98 ASN HB2 . . 5.850 4.807 4.449 5.811 . 0 0 "[ . 1 . 2]" 1
3491 1 97 LEU HA 1 98 ASN HB3 . . 5.860 5.416 4.533 5.731 . 0 0 "[ . 1 . 2]" 1
3492 1 97 LEU HA 1 99 VAL H . . 5.860 4.384 4.272 4.498 . 0 0 "[ . 1 . 2]" 1
3493 1 97 LEU HA 1 99 VAL QG . . 5.610 4.135 4.072 4.193 . 0 0 "[ . 1 . 2]" 1
3494 1 97 LEU HB2 1 99 VAL QG . . 5.630 2.647 2.396 3.048 . 0 0 "[ . 1 . 2]" 1
3495 1 97 LEU HB3 1 98 ASN HA . . 5.830 4.140 4.032 4.233 . 0 0 "[ . 1 . 2]" 1
3496 1 97 LEU HB3 1 99 VAL HA . . 5.930 4.061 3.884 4.286 . 0 0 "[ . 1 . 2]" 1
3497 1 97 LEU HB3 1 99 VAL QG . . 5.650 2.029 1.973 2.074 . 0 0 "[ . 1 . 2]" 1
3498 1 97 LEU HG 1 99 VAL H . . 6.000 5.499 5.292 5.639 . 0 0 "[ . 1 . 2]" 1
3499 1 97 LEU HG 1 99 VAL QG . . 5.700 4.108 3.997 4.177 . 0 0 "[ . 1 . 2]" 1
3500 1 97 LEU MD1 1 106 THR MG . . 6.000 5.601 5.045 6.003 0.003 2 0 "[ . 1 . 2]" 1
3501 1 97 LEU MD2 1 106 THR MG . . 5.930 5.256 4.728 5.689 . 0 0 "[ . 1 . 2]" 1
3502 1 97 LEU QD 1 106 THR MG . . 5.880 4.818 4.376 5.193 . 0 0 "[ . 1 . 2]" 1
3503 1 97 LEU QD 1 107 TRP H . . 5.850 4.643 4.480 4.760 . 0 0 "[ . 1 . 2]" 1
3504 1 97 LEU QD 1 99 VAL QG . . 5.770 2.134 2.067 2.195 . 0 0 "[ . 1 . 2]" 1
3505 1 98 ASN H 1 99 VAL H . . 5.720 3.027 2.872 3.178 . 0 0 "[ . 1 . 2]" 1
3506 1 98 ASN HA 1 99 VAL H . . 4.900 2.653 2.608 2.715 . 0 0 "[ . 1 . 2]" 1
3507 1 98 ASN HA 1 99 VAL HA . . 5.760 4.686 4.657 4.714 . 0 0 "[ . 1 . 2]" 1
3508 1 98 ASN HA 1 99 VAL HB . . 5.850 5.127 5.067 5.178 . 0 0 "[ . 1 . 2]" 1
3509 1 98 ASN HA 1 99 VAL QG . . 5.680 3.948 3.910 4.013 . 0 0 "[ . 1 . 2]" 1
3510 1 98 ASN HB2 1 99 VAL QG . . 5.920 5.154 5.036 5.384 . 0 0 "[ . 1 . 2]" 1
3511 1 99 VAL H 1 100 PHE H . . 5.790 4.674 4.655 4.690 . 0 0 "[ . 1 . 2]" 1
3512 1 99 VAL H 1 108 ASP QB . . 5.900 5.018 4.730 5.287 . 0 0 "[ . 1 . 2]" 1
3513 1 99 VAL HA 1 100 PHE H . . 5.020 2.237 2.197 2.265 . 0 0 "[ . 1 . 2]" 1
3514 1 99 VAL HA 1 100 PHE HA . . 5.710 4.393 4.364 4.421 . 0 0 "[ . 1 . 2]" 1
3515 1 99 VAL HA 1 100 PHE HB2 . . 5.930 5.601 5.550 5.658 . 0 0 "[ . 1 . 2]" 1
3516 1 99 VAL HA 1 100 PHE HB3 . . 5.930 4.621 4.555 4.714 . 0 0 "[ . 1 . 2]" 1
3517 1 99 VAL HA 1 100 PHE QD . . 4.500 3.943 3.779 4.066 . 0 0 "[ . 1 . 2]" 1
3518 1 99 VAL HA 1 100 PHE QE . . 5.000 4.660 4.479 4.841 . 0 0 "[ . 1 . 2]" 1
3519 1 99 VAL HA 1 101 LYS H . . 5.690 3.982 3.897 4.069 . 0 0 "[ . 1 . 2]" 1
3520 1 99 VAL HA 1 106 THR HB . . 5.700 4.901 4.545 5.268 . 0 0 "[ . 1 . 2]" 1
3521 1 99 VAL HA 1 106 THR MG . . 5.820 5.246 5.023 5.469 . 0 0 "[ . 1 . 2]" 1
3522 1 99 VAL HB 1 100 PHE H . . 5.660 3.763 3.686 3.846 . 0 0 "[ . 1 . 2]" 1
3523 1 99 VAL HB 1 100 PHE QD . . 6.000 5.942 5.848 6.024 0.024 20 0 "[ . 1 . 2]" 1
3524 1 99 VAL HB 1 101 LYS H . . 5.860 4.270 4.125 4.416 . 0 0 "[ . 1 . 2]" 1
3525 1 99 VAL HB 1 106 THR HB . . 5.930 5.937 5.826 5.998 0.068 14 0 "[ . 1 . 2]" 1
3526 1 99 VAL HB 1 108 ASP HA . . 5.720 5.423 5.204 5.588 . 0 0 "[ . 1 . 2]" 1
3527 1 99 VAL HB 1 108 ASP HB2 . . 5.610 3.128 2.836 3.304 . 0 0 "[ . 1 . 2]" 1
3528 1 99 VAL HB 1 108 ASP HB3 . . 5.610 3.787 3.226 4.125 . 0 0 "[ . 1 . 2]" 1
3529 1 99 VAL HB 1 108 ASP QB . . 5.340 2.982 2.732 3.123 . 0 0 "[ . 1 . 2]" 1
3530 1 99 VAL HB 1 114 LEU MD1 . . 5.370 2.256 2.109 2.671 . 0 0 "[ . 1 . 2]" 1
3531 1 99 VAL HB 1 114 LEU MD2 . . 5.770 3.894 3.147 4.233 . 0 0 "[ . 1 . 2]" 1
3532 1 99 VAL MG1 1 100 PHE QD . . 5.920 4.412 4.335 4.501 . 0 0 "[ . 1 . 2]" 1
3533 1 99 VAL MG1 1 106 THR HA . . 5.590 4.344 4.087 4.590 . 0 0 "[ . 1 . 2]" 1
3534 1 99 VAL MG1 1 106 THR MG . . 5.790 3.861 3.627 4.045 . 0 0 "[ . 1 . 2]" 1
3535 1 99 VAL MG1 1 107 TRP H . . 5.350 3.351 3.026 3.627 . 0 0 "[ . 1 . 2]" 1
3536 1 99 VAL MG1 1 107 TRP HA . . 5.720 3.589 3.406 3.728 . 0 0 "[ . 1 . 2]" 1
3537 1 99 VAL MG1 1 108 ASP H . . 5.760 3.933 3.634 4.153 . 0 0 "[ . 1 . 2]" 1
3538 1 99 VAL MG1 1 108 ASP HB2 . . 5.860 2.807 2.424 3.153 . 0 0 "[ . 1 . 2]" 1
3539 1 99 VAL MG1 1 108 ASP HB3 . . 5.860 3.408 2.939 3.717 . 0 0 "[ . 1 . 2]" 1
3540 1 99 VAL MG2 1 100 PHE QD . . 5.920 5.541 5.431 5.653 . 0 0 "[ . 1 . 2]" 1
3541 1 99 VAL MG2 1 106 THR HA . . 5.730 5.357 5.161 5.478 . 0 0 "[ . 1 . 2]" 1
3542 1 99 VAL MG2 1 106 THR MG . . 5.790 5.007 4.551 5.292 . 0 0 "[ . 1 . 2]" 1
3543 1 99 VAL MG2 1 107 TRP H . . 5.350 4.178 3.961 4.351 . 0 0 "[ . 1 . 2]" 1
3544 1 99 VAL MG2 1 107 TRP HA . . 5.720 5.163 5.034 5.234 . 0 0 "[ . 1 . 2]" 1
3545 1 99 VAL MG2 1 108 ASP H . . 5.760 5.024 4.899 5.134 . 0 0 "[ . 1 . 2]" 1
3546 1 99 VAL MG2 1 108 ASP HB2 . . 5.860 2.563 2.246 2.829 . 0 0 "[ . 1 . 2]" 1
3547 1 99 VAL MG2 1 108 ASP HB3 . . 5.860 3.948 3.526 4.282 . 0 0 "[ . 1 . 2]" 1
3548 1 99 VAL QG 1 100 PHE H . . 5.160 2.180 2.096 2.282 . 0 0 "[ . 1 . 2]" 1
3549 1 99 VAL QG 1 100 PHE QB . . 5.660 4.381 4.331 4.431 . 0 0 "[ . 1 . 2]" 1
3550 1 99 VAL QG 1 100 PHE QD . . 5.680 4.248 4.172 4.319 . 0 0 "[ . 1 . 2]" 1
3551 1 99 VAL QG 1 100 PHE QE . . 5.920 4.774 4.640 4.919 . 0 0 "[ . 1 . 2]" 1
3552 1 99 VAL QG 1 101 LYS H . . 4.910 2.042 1.935 2.171 . 0 0 "[ . 1 . 2]" 1
3553 1 99 VAL QG 1 101 LYS HA . . 5.720 4.293 4.102 4.405 . 0 0 "[ . 1 . 2]" 1
3554 1 99 VAL QG 1 102 ASN H . . 5.800 5.070 4.936 5.178 . 0 0 "[ . 1 . 2]" 1
3555 1 99 VAL QG 1 102 ASN HA . . 5.520 4.191 4.001 4.417 . 0 0 "[ . 1 . 2]" 1
3556 1 99 VAL QG 1 103 ASP H . . 5.910 5.261 5.047 5.420 . 0 0 "[ . 1 . 2]" 1
3557 1 99 VAL QG 1 106 THR HB . . 5.210 2.829 2.762 2.944 . 0 0 "[ . 1 . 2]" 1
3558 1 99 VAL QG 1 106 THR MG . . 5.410 3.739 3.499 3.923 . 0 0 "[ . 1 . 2]" 1
3559 1 99 VAL QG 1 107 TRP HA . . 5.210 3.525 3.358 3.645 . 0 0 "[ . 1 . 2]" 1
3560 1 99 VAL QG 1 108 ASP H . . 5.310 3.798 3.542 3.968 . 0 0 "[ . 1 . 2]" 1
3561 1 99 VAL QG 1 108 ASP HA . . 5.520 3.699 3.462 3.884 . 0 0 "[ . 1 . 2]" 1
3562 1 99 VAL QG 1 108 ASP QB . . 5.100 2.310 2.068 2.483 . 0 0 "[ . 1 . 2]" 1
3563 1 99 VAL QG 1 109 TYR H . . 5.910 5.232 5.010 5.401 . 0 0 "[ . 1 . 2]" 1
3564 1 99 VAL QG 1 114 LEU HB3 . . 5.790 3.811 3.521 4.568 . 0 0 "[ . 1 . 2]" 1
3565 1 100 PHE H 1 100 PHE QD . . 5.490 3.192 3.148 3.237 . 0 0 "[ . 1 . 2]" 1
3566 1 100 PHE H 1 101 LYS H . . 4.960 2.079 2.007 2.147 . 0 0 "[ . 1 . 2]" 1
3567 1 100 PHE H 1 101 LYS HA . . 5.760 4.805 4.724 4.874 . 0 0 "[ . 1 . 2]" 1
3568 1 100 PHE H 1 101 LYS HB2 . . 6.000 5.465 4.366 5.952 . 0 0 "[ . 1 . 2]" 1
3569 1 100 PHE H 1 101 LYS HB3 . . 5.930 4.626 3.845 5.139 . 0 0 "[ . 1 . 2]" 1
3570 1 100 PHE H 1 106 THR HB . . 5.780 4.997 4.286 5.680 . 0 0 "[ . 1 . 2]" 1
3571 1 100 PHE H 1 108 ASP QB . . 5.900 5.742 5.337 5.967 0.067 6 0 "[ . 1 . 2]" 1
3572 1 100 PHE H 1 114 LEU MD1 . . 5.750 3.646 3.328 4.099 . 0 0 "[ . 1 . 2]" 1
3573 1 100 PHE HA 1 100 PHE QE . . 5.920 5.620 5.601 5.641 . 0 0 "[ . 1 . 2]" 1
3574 1 100 PHE HA 1 114 LEU HA . . 5.740 4.898 4.581 5.350 . 0 0 "[ . 1 . 2]" 1
3575 1 100 PHE HA 1 114 LEU HB2 . . 5.930 5.813 5.513 5.981 0.051 8 0 "[ . 1 . 2]" 1
3576 1 100 PHE HA 1 114 LEU HB3 . . 5.630 4.401 4.034 4.668 . 0 0 "[ . 1 . 2]" 1
3577 1 100 PHE HA 1 114 LEU HG . . 5.890 5.145 4.949 5.301 . 0 0 "[ . 1 . 2]" 1
3578 1 100 PHE HB2 1 101 LYS HB3 . . 5.930 4.375 4.030 5.170 . 0 0 "[ . 1 . 2]" 1
3579 1 100 PHE HB3 1 101 LYS HB3 . . 5.930 5.703 5.509 6.029 0.099 10 0 "[ . 1 . 2]" 1
3580 1 100 PHE QB 1 101 LYS H . . 5.340 3.929 3.867 3.982 . 0 0 "[ . 1 . 2]" 1
3581 1 100 PHE QB 1 101 LYS HA . . 5.900 4.762 4.691 4.818 . 0 0 "[ . 1 . 2]" 1
3582 1 100 PHE QD 1 101 LYS H . . 5.640 3.515 3.354 3.726 . 0 0 "[ . 1 . 2]" 1
3583 1 100 PHE QD 1 101 LYS HB2 . . 6.000 3.894 2.272 4.749 . 0 0 "[ . 1 . 2]" 1
3584 1 100 PHE QD 1 106 THR MG . . 6.000 5.172 4.494 5.893 . 0 0 "[ . 1 . 2]" 1
3585 1 101 LYS H 1 101 LYS HG2 . . 5.620 3.276 2.552 4.578 . 0 0 "[ . 1 . 2]" 1
3586 1 101 LYS H 1 101 LYS HG3 . . 5.210 3.624 2.753 4.896 . 0 0 "[ . 1 . 2]" 1
3587 1 101 LYS HG2 1 102 ASN H . . 5.770 4.048 2.250 4.748 . 0 0 "[ . 1 . 2]" 1
3588 1 101 LYS QD 1 103 ASP HB2 . . 5.000 4.563 4.181 4.946 . 0 0 "[ . 1 . 2]" 1
3589 1 101 LYS QD 1 103 ASP HB3 . . 4.000 3.427 2.994 3.906 . 0 0 "[ . 1 . 2]" 1
3590 1 102 ASN H 1 102 ASN HD21 . . 5.650 4.548 4.296 4.903 . 0 0 "[ . 1 . 2]" 1
3591 1 102 ASN H 1 102 ASN HD22 . . 5.720 5.176 5.032 5.430 . 0 0 "[ . 1 . 2]" 1
3592 1 102 ASN H 1 103 ASP H . . 5.770 4.229 4.095 4.382 . 0 0 "[ . 1 . 2]" 1
3593 1 102 ASN H 1 103 ASP HA . . 5.920 5.192 5.096 5.278 . 0 0 "[ . 1 . 2]" 1
3594 1 102 ASN HA 1 103 ASP H . . 4.960 2.158 2.133 2.190 . 0 0 "[ . 1 . 2]" 1
3595 1 102 ASN HA 1 106 THR H . . 5.790 4.547 4.480 4.658 . 0 0 "[ . 1 . 2]" 1
3596 1 102 ASN HA 1 107 TRP H . . 5.780 4.702 4.602 4.801 . 0 0 "[ . 1 . 2]" 1
3597 1 102 ASN HA 1 107 TRP HA . . 5.230 2.459 2.313 2.581 . 0 0 "[ . 1 . 2]" 1
3598 1 102 ASN HA 1 107 TRP HB2 . . 5.780 4.004 3.799 4.209 . 0 0 "[ . 1 . 2]" 1
3599 1 102 ASN HA 1 107 TRP HB3 . . 5.860 5.178 5.001 5.344 . 0 0 "[ . 1 . 2]" 1
3600 1 102 ASN HA 1 107 TRP HE3 . . 5.640 3.390 3.039 3.702 . 0 0 "[ . 1 . 2]" 1
3601 1 102 ASN HA 1 107 TRP HZ3 . . 5.920 4.724 4.402 5.022 . 0 0 "[ . 1 . 2]" 1
3602 1 102 ASN HA 1 108 ASP H . . 5.480 4.133 3.888 4.263 . 0 0 "[ . 1 . 2]" 1
3603 1 102 ASN HB2 1 103 ASP H . . 5.640 4.426 4.288 4.504 . 0 0 "[ . 1 . 2]" 1
3604 1 102 ASN HB2 1 107 TRP HA . . 5.790 4.711 4.561 4.838 . 0 0 "[ . 1 . 2]" 1
3605 1 102 ASN HB2 1 107 TRP HE3 . . 5.850 4.628 4.478 4.704 . 0 0 "[ . 1 . 2]" 1
3606 1 102 ASN HB2 1 107 TRP HZ2 . . 5.850 5.564 5.348 5.713 . 0 0 "[ . 1 . 2]" 1
3607 1 102 ASN HB2 1 107 TRP HZ3 . . 5.840 4.399 4.301 4.487 . 0 0 "[ . 1 . 2]" 1
3608 1 102 ASN HB2 1 108 ASP H . . 5.780 5.194 4.883 5.464 . 0 0 "[ . 1 . 2]" 1
3609 1 102 ASN HB3 1 103 ASP H . . 5.480 3.581 3.336 3.785 . 0 0 "[ . 1 . 2]" 1
3610 1 102 ASN HB3 1 103 ASP HA . . 5.690 4.399 4.316 4.494 . 0 0 "[ . 1 . 2]" 1
3611 1 102 ASN HB3 1 107 TRP HA . . 5.600 3.665 3.372 3.901 . 0 0 "[ . 1 . 2]" 1
3612 1 102 ASN HB3 1 107 TRP HD1 . . 5.830 5.630 5.330 5.823 . 0 0 "[ . 1 . 2]" 1
3613 1 102 ASN HB3 1 107 TRP HE1 . . 5.740 5.221 4.982 5.352 . 0 0 "[ . 1 . 2]" 1
3614 1 102 ASN HB3 1 107 TRP HE3 . . 5.800 2.993 2.780 3.136 . 0 0 "[ . 1 . 2]" 1
3615 1 102 ASN HB3 1 107 TRP HZ2 . . 5.710 4.425 4.203 4.662 . 0 0 "[ . 1 . 2]" 1
3616 1 102 ASN HB3 1 107 TRP HZ3 . . 5.670 3.120 3.011 3.272 . 0 0 "[ . 1 . 2]" 1
3617 1 102 ASN HB3 1 108 ASP H . . 5.600 4.342 3.983 4.617 . 0 0 "[ . 1 . 2]" 1
3618 1 102 ASN HD21 1 108 ASP H . . 5.720 4.479 3.876 5.011 . 0 0 "[ . 1 . 2]" 1
3619 1 102 ASN HD22 1 107 TRP HD1 . . 5.930 5.374 4.804 5.913 . 0 0 "[ . 1 . 2]" 1
3620 1 102 ASN HD22 1 107 TRP HE1 . . 5.920 4.888 4.257 5.385 . 0 0 "[ . 1 . 2]" 1
3621 1 102 ASN HD22 1 108 ASP H . . 5.590 3.355 2.852 3.860 . 0 0 "[ . 1 . 2]" 1
3622 1 102 ASN HD22 1 108 ASP QB . . 5.830 3.785 3.381 4.435 . 0 0 "[ . 1 . 2]" 1
3623 1 102 ASN HD22 1 111 ASN H . . 5.930 5.409 4.998 5.951 0.021 16 0 "[ . 1 . 2]" 1
3624 1 103 ASP H 1 104 GLN H . . 5.640 4.303 4.271 4.333 . 0 0 "[ . 1 . 2]" 1
3625 1 103 ASP H 1 105 ASP H . . 5.840 3.898 3.774 3.966 . 0 0 "[ . 1 . 2]" 1
3626 1 103 ASP H 1 106 THR H . . 5.560 2.939 2.822 3.060 . 0 0 "[ . 1 . 2]" 1
3627 1 103 ASP H 1 106 THR HA . . 5.910 4.740 4.666 4.790 . 0 0 "[ . 1 . 2]" 1
3628 1 103 ASP H 1 107 TRP H . . 5.860 4.937 4.873 4.998 . 0 0 "[ . 1 . 2]" 1
3629 1 103 ASP H 1 107 TRP HA . . 5.340 3.580 3.381 3.714 . 0 0 "[ . 1 . 2]" 1
3630 1 103 ASP H 1 107 TRP HB2 . . 5.590 3.695 3.476 3.805 . 0 0 "[ . 1 . 2]" 1
3631 1 103 ASP H 1 107 TRP HB3 . . 5.790 5.320 5.110 5.429 . 0 0 "[ . 1 . 2]" 1
3632 1 103 ASP H 1 107 TRP HE3 . . 5.290 2.730 2.550 2.882 . 0 0 "[ . 1 . 2]" 1
3633 1 103 ASP H 1 107 TRP HZ3 . . 5.550 4.178 4.010 4.362 . 0 0 "[ . 1 . 2]" 1
3634 1 103 ASP H 1 108 ASP H . . 5.870 5.680 5.432 5.847 . 0 0 "[ . 1 . 2]" 1
3635 1 103 ASP HA 1 104 GLN H . . 5.410 2.812 2.779 2.840 . 0 0 "[ . 1 . 2]" 1
3636 1 103 ASP HA 1 104 GLN HE21 . . 5.930 5.957 5.938 5.975 0.045 13 0 "[ . 1 . 2]" 1
3637 1 103 ASP HA 1 104 GLN HG2 . . 5.760 4.848 4.758 4.904 . 0 0 "[ . 1 . 2]" 1
3638 1 103 ASP HA 1 105 ASP H . . 5.920 4.408 4.337 4.510 . 0 0 "[ . 1 . 2]" 1
3639 1 103 ASP HA 1 106 THR H . . 5.930 4.836 4.759 4.972 . 0 0 "[ . 1 . 2]" 1
3640 1 103 ASP HA 1 107 TRP HE3 . . 5.730 3.652 3.342 3.862 . 0 0 "[ . 1 . 2]" 1
3641 1 103 ASP HA 1 107 TRP HZ3 . . 5.360 3.253 2.958 3.546 . 0 0 "[ . 1 . 2]" 1
3642 1 103 ASP HB2 1 104 GLN H . . 4.940 1.991 1.928 2.042 . 0 0 "[ . 1 . 2]" 1
3643 1 103 ASP HB2 1 104 GLN HA . . 5.700 4.704 4.655 4.750 . 0 0 "[ . 1 . 2]" 1
3644 1 103 ASP HB2 1 104 GLN HB2 . . 5.810 5.519 5.449 5.573 . 0 0 "[ . 1 . 2]" 1
3645 1 103 ASP HB2 1 104 GLN HB3 . . 5.810 4.307 4.263 4.389 . 0 0 "[ . 1 . 2]" 1
3646 1 103 ASP HB2 1 104 GLN HG2 . . 5.720 3.270 3.183 3.326 . 0 0 "[ . 1 . 2]" 1
3647 1 103 ASP HB2 1 104 GLN HG3 . . 5.770 4.806 4.660 4.892 . 0 0 "[ . 1 . 2]" 1
3648 1 103 ASP HB2 1 105 ASP H . . 5.770 3.519 3.332 3.719 . 0 0 "[ . 1 . 2]" 1
3649 1 103 ASP HB2 1 106 THR H . . 5.810 4.638 4.532 4.713 . 0 0 "[ . 1 . 2]" 1
3650 1 103 ASP HB2 1 107 TRP HZ3 . . 5.930 5.664 5.383 5.942 0.012 1 0 "[ . 1 . 2]" 1
3651 1 103 ASP HB3 1 104 GLN H . . 5.360 3.556 3.506 3.598 . 0 0 "[ . 1 . 2]" 1
3652 1 103 ASP HB3 1 104 GLN QG . . 5.830 4.817 4.759 4.874 . 0 0 "[ . 1 . 2]" 1
3653 1 103 ASP HB3 1 105 ASP H . . 5.820 4.467 4.380 4.558 . 0 0 "[ . 1 . 2]" 1
3654 1 103 ASP HB3 1 106 THR H . . 5.880 4.847 4.784 4.904 . 0 0 "[ . 1 . 2]" 1
3655 1 103 ASP HB3 1 107 TRP HZ3 . . 5.930 5.470 5.169 5.790 . 0 0 "[ . 1 . 2]" 1
3656 1 104 GLN H 1 104 GLN HE21 . . 5.850 3.709 3.663 3.748 . 0 0 "[ . 1 . 2]" 1
3657 1 104 GLN H 1 104 GLN HG2 . . 5.430 2.083 2.025 2.124 . 0 0 "[ . 1 . 2]" 1
3658 1 104 GLN H 1 104 GLN HG3 . . 5.500 3.371 3.291 3.409 . 0 0 "[ . 1 . 2]" 1
3659 1 104 GLN H 1 105 ASP H . . 6.000 2.769 2.720 2.824 . 0 0 "[ . 1 . 2]" 1
3660 1 104 GLN H 1 105 ASP HA . . 5.790 5.326 5.279 5.378 . 0 0 "[ . 1 . 2]" 1
3661 1 104 GLN H 1 105 ASP QB . . 6.000 4.690 4.630 4.773 . 0 0 "[ . 1 . 2]" 1
3662 1 104 GLN H 1 106 THR H . . 5.480 4.368 4.260 4.526 . 0 0 "[ . 1 . 2]" 1
3663 1 104 GLN H 1 107 TRP HZ3 . . 5.930 5.439 5.189 5.632 . 0 0 "[ . 1 . 2]" 1
3664 1 104 GLN HA 1 104 GLN HE21 . . 5.850 4.301 4.243 4.339 . 0 0 "[ . 1 . 2]" 1
3665 1 104 GLN HA 1 105 ASP H . . 5.430 3.451 3.406 3.485 . 0 0 "[ . 1 . 2]" 1
3666 1 104 GLN HA 1 105 ASP HA . . 5.830 4.562 4.525 4.604 . 0 0 "[ . 1 . 2]" 1
3667 1 104 GLN HA 1 107 TRP HZ3 . . 5.870 5.293 5.123 5.494 . 0 0 "[ . 1 . 2]" 1
3668 1 104 GLN HB2 1 105 ASP H . . 5.680 4.310 4.241 4.349 . 0 0 "[ . 1 . 2]" 1
3669 1 104 GLN HB3 1 105 ASP H . . 5.680 4.326 4.279 4.368 . 0 0 "[ . 1 . 2]" 1
3670 1 104 GLN HE21 1 105 ASP H . . 5.930 5.678 5.601 5.768 . 0 0 "[ . 1 . 2]" 1
3671 1 104 GLN HG2 1 105 ASP H . . 5.570 3.113 3.003 3.251 . 0 0 "[ . 1 . 2]" 1
3672 1 104 GLN HG2 1 105 ASP HA . . 5.890 4.961 4.841 5.066 . 0 0 "[ . 1 . 2]" 1
3673 1 104 GLN HG2 1 106 THR H . . 5.820 5.196 5.059 5.401 . 0 0 "[ . 1 . 2]" 1
3674 1 104 GLN HG3 1 105 ASP H . . 5.540 3.196 3.042 3.296 . 0 0 "[ . 1 . 2]" 1
3675 1 104 GLN HG3 1 105 ASP HA . . 5.930 3.832 3.694 3.979 . 0 0 "[ . 1 . 2]" 1
3676 1 104 GLN QB 1 105 ASP HA . . 5.900 4.611 4.568 4.659 . 0 0 "[ . 1 . 2]" 1
3677 1 104 GLN QB 1 106 THR H . . 5.880 5.412 5.298 5.565 . 0 0 "[ . 1 . 2]" 1
3678 1 104 GLN QG 1 105 ASP H . . 5.430 2.808 2.712 2.916 . 0 0 "[ . 1 . 2]" 1
3679 1 104 GLN QG 1 106 THR H . . 5.710 4.648 4.517 4.798 . 0 0 "[ . 1 . 2]" 1
3680 1 105 ASP H 1 106 THR H . . 4.900 2.121 1.985 2.278 . 0 0 "[ . 1 . 2]" 1
3681 1 105 ASP H 1 106 THR HA . . 5.870 4.816 4.737 4.892 . 0 0 "[ . 1 . 2]" 1
3682 1 105 ASP H 1 106 THR MG . . 5.620 3.757 3.452 4.208 . 0 0 "[ . 1 . 2]" 1
3683 1 105 ASP HA 1 106 THR H . . 5.390 3.454 3.360 3.550 . 0 0 "[ . 1 . 2]" 1
3684 1 105 ASP HA 1 106 THR MG . . 5.580 3.967 3.897 4.048 . 0 0 "[ . 1 . 2]" 1
3685 1 105 ASP HB2 1 106 THR H . . 5.430 3.268 2.826 3.576 . 0 0 "[ . 1 . 2]" 1
3686 1 105 ASP HB2 1 106 THR HA . . 5.880 5.176 5.021 5.293 . 0 0 "[ . 1 . 2]" 1
3687 1 105 ASP HB2 1 106 THR MG . . 5.320 2.915 2.726 3.041 . 0 0 "[ . 1 . 2]" 1
3688 1 105 ASP HB3 1 106 THR H . . 5.700 3.892 3.649 4.068 . 0 0 "[ . 1 . 2]" 1
3689 1 105 ASP HB3 1 106 THR HA . . 5.930 4.786 4.737 4.862 . 0 0 "[ . 1 . 2]" 1
3690 1 105 ASP HB3 1 106 THR MG . . 5.390 2.842 2.659 3.033 . 0 0 "[ . 1 . 2]" 1
3691 1 106 THR H 1 107 TRP H . . 5.670 4.440 4.408 4.477 . 0 0 "[ . 1 . 2]" 1
3692 1 106 THR H 1 107 TRP HB2 . . 5.810 4.348 4.215 4.556 . 0 0 "[ . 1 . 2]" 1
3693 1 106 THR H 1 107 TRP HE3 . . 5.880 4.727 4.535 5.024 . 0 0 "[ . 1 . 2]" 1
3694 1 106 THR HA 1 107 TRP H . . 5.000 2.284 2.260 2.306 . 0 0 "[ . 1 . 2]" 1
3695 1 106 THR HA 1 107 TRP HA . . 5.750 4.467 4.454 4.480 . 0 0 "[ . 1 . 2]" 1
3696 1 106 THR HA 1 107 TRP HB2 . . 5.890 4.075 3.974 4.147 . 0 0 "[ . 1 . 2]" 1
3697 1 106 THR HA 1 107 TRP HB3 . . 5.850 4.538 4.377 4.681 . 0 0 "[ . 1 . 2]" 1
3698 1 106 THR HB 1 107 TRP H . . 5.380 2.965 2.696 3.112 . 0 0 "[ . 1 . 2]" 1
3699 1 106 THR MG 1 107 TRP H . . 5.660 4.216 4.057 4.306 . 0 0 "[ . 1 . 2]" 1
3700 1 107 TRP H 1 107 TRP HE3 . . 5.930 5.369 5.312 5.454 . 0 0 "[ . 1 . 2]" 1
3701 1 107 TRP H 1 108 ASP H . . 5.700 4.344 4.328 4.367 . 0 0 "[ . 1 . 2]" 1
3702 1 107 TRP H 1 108 ASP QB . . 5.900 4.636 4.477 4.756 . 0 0 "[ . 1 . 2]" 1
3703 1 107 TRP HA 1 107 TRP HE1 . . 5.890 5.269 5.228 5.311 . 0 0 "[ . 1 . 2]" 1
3704 1 107 TRP HA 1 108 ASP H . . 5.050 2.294 2.272 2.316 . 0 0 "[ . 1 . 2]" 1
3705 1 107 TRP HA 1 108 ASP HA . . 5.720 4.482 4.451 4.509 . 0 0 "[ . 1 . 2]" 1
3706 1 107 TRP HA 1 108 ASP QB . . 5.860 4.023 3.983 4.078 . 0 0 "[ . 1 . 2]" 1
3707 1 107 TRP HB2 1 107 TRP HZ3 . . 5.840 4.986 4.965 4.999 . 0 0 "[ . 1 . 2]" 1
3708 1 107 TRP HB2 1 108 ASP H . . 5.710 4.092 4.040 4.127 . 0 0 "[ . 1 . 2]" 1
3709 1 107 TRP HB3 1 108 ASP H . . 5.630 3.684 3.621 3.801 . 0 0 "[ . 1 . 2]" 1
3710 1 107 TRP HB3 1 109 TYR QD . . 5.770 4.151 4.014 4.319 . 0 0 "[ . 1 . 2]" 1
3711 1 107 TRP HB3 1 109 TYR QE . . 5.800 3.192 2.989 3.453 . 0 0 "[ . 1 . 2]" 1
3712 1 107 TRP HE1 1 108 ASP H . . 5.690 4.026 3.946 4.099 . 0 0 "[ . 1 . 2]" 1
3713 1 107 TRP HE1 1 108 ASP HA . . 5.930 5.328 5.214 5.466 . 0 0 "[ . 1 . 2]" 1
3714 1 107 TRP HE1 1 109 TYR H . . 5.810 4.844 4.622 5.179 . 0 0 "[ . 1 . 2]" 1
3715 1 107 TRP HE1 1 109 TYR HA . . 5.140 2.874 2.655 3.259 . 0 0 "[ . 1 . 2]" 1
3716 1 107 TRP HE1 1 109 TYR HB2 . . 5.850 5.157 4.939 5.471 . 0 0 "[ . 1 . 2]" 1
3717 1 107 TRP HE1 1 109 TYR HB3 . . 5.750 4.716 4.511 5.054 . 0 0 "[ . 1 . 2]" 1
3718 1 107 TRP HE1 1 109 TYR QD . . 5.240 3.077 2.938 3.352 . 0 0 "[ . 1 . 2]" 1
3719 1 107 TRP HE3 1 108 ASP H . . 5.930 4.996 4.913 5.087 . 0 0 "[ . 1 . 2]" 1
3720 1 107 TRP HZ2 1 109 TYR QD . . 5.860 5.140 4.926 5.476 . 0 0 "[ . 1 . 2]" 1
3721 1 108 ASP H 1 109 TYR H . . 5.660 4.188 4.099 4.272 . 0 0 "[ . 1 . 2]" 1
3722 1 108 ASP H 1 109 TYR HA . . 5.890 4.524 4.442 4.621 . 0 0 "[ . 1 . 2]" 1
3723 1 108 ASP H 1 109 TYR QD . . 5.830 5.088 5.035 5.186 . 0 0 "[ . 1 . 2]" 1
3724 1 108 ASP HA 1 109 TYR H . . 5.130 2.080 2.065 2.102 . 0 0 "[ . 1 . 2]" 1
3725 1 108 ASP HA 1 109 TYR HA . . 5.810 4.261 4.228 4.302 . 0 0 "[ . 1 . 2]" 1
3726 1 108 ASP HA 1 109 TYR HB2 . . 5.800 4.335 4.278 4.375 . 0 0 "[ . 1 . 2]" 1
3727 1 108 ASP HA 1 109 TYR QD . . 5.610 3.827 3.732 3.912 . 0 0 "[ . 1 . 2]" 1
3728 1 108 ASP HA 1 110 THR H . . 5.480 3.868 3.805 3.937 . 0 0 "[ . 1 . 2]" 1
3729 1 108 ASP HA 1 110 THR MG . . 5.720 4.725 4.627 4.888 . 0 0 "[ . 1 . 2]" 1
3730 1 108 ASP HA 1 111 ASN H . . 5.900 4.678 4.588 4.816 . 0 0 "[ . 1 . 2]" 1
3731 1 108 ASP HA 1 111 ASN HB3 . . 5.850 5.360 5.224 5.527 . 0 0 "[ . 1 . 2]" 1
3732 1 108 ASP HB2 1 109 TYR H . . 5.820 4.173 4.046 4.286 . 0 0 "[ . 1 . 2]" 1
3733 1 108 ASP HB3 1 109 TYR H . . 5.820 4.408 4.359 4.443 . 0 0 "[ . 1 . 2]" 1
3734 1 108 ASP QB 1 109 TYR H . . 5.670 3.811 3.738 3.861 . 0 0 "[ . 1 . 2]" 1
3735 1 108 ASP QB 1 111 ASN H . . 5.580 3.596 3.412 3.833 . 0 0 "[ . 1 . 2]" 1
3736 1 108 ASP QB 1 111 ASN HB2 . . 5.670 4.157 3.802 4.382 . 0 0 "[ . 1 . 2]" 1
3737 1 108 ASP QB 1 111 ASN HB3 . . 5.700 2.977 2.710 3.282 . 0 0 "[ . 1 . 2]" 1
3738 1 109 TYR H 1 109 TYR QD . . 5.130 2.817 2.772 2.876 . 0 0 "[ . 1 . 2]" 1
3739 1 109 TYR H 1 110 THR H . . 5.280 2.866 2.828 2.905 . 0 0 "[ . 1 . 2]" 1
3740 1 109 TYR H 1 110 THR HA . . 5.930 5.330 5.284 5.362 . 0 0 "[ . 1 . 2]" 1
3741 1 109 TYR H 1 110 THR HB . . 5.860 4.736 4.603 4.803 . 0 0 "[ . 1 . 2]" 1
3742 1 109 TYR H 1 110 THR MG . . 5.530 3.946 3.818 4.053 . 0 0 "[ . 1 . 2]" 1
3743 1 109 TYR H 1 111 ASN H . . 5.770 4.381 4.344 4.416 . 0 0 "[ . 1 . 2]" 1
3744 1 109 TYR HA 1 109 TYR QE . . 5.790 4.404 4.381 4.425 . 0 0 "[ . 1 . 2]" 1
3745 1 109 TYR HA 1 110 THR HA . . 5.780 4.356 4.328 4.374 . 0 0 "[ . 1 . 2]" 1
3746 1 109 TYR HA 1 110 THR HB . . 5.930 5.005 4.919 5.055 . 0 0 "[ . 1 . 2]" 1
3747 1 109 TYR HA 1 110 THR MG . . 5.870 4.998 4.892 5.105 . 0 0 "[ . 1 . 2]" 1
3748 1 109 TYR HA 1 111 ASN H . . 5.560 4.556 4.469 4.628 . 0 0 "[ . 1 . 2]" 1
3749 1 109 TYR HB2 1 110 THR H . . 5.580 4.045 3.977 4.099 . 0 0 "[ . 1 . 2]" 1
3750 1 109 TYR HB2 1 110 THR HA . . 5.790 5.342 5.297 5.393 . 0 0 "[ . 1 . 2]" 1
3751 1 109 TYR HB2 1 110 THR HB . . 5.800 4.493 4.318 4.612 . 0 0 "[ . 1 . 2]" 1
3752 1 109 TYR HB2 1 110 THR MG . . 5.710 4.700 4.636 4.839 . 0 0 "[ . 1 . 2]" 1
3753 1 109 TYR HB2 1 111 ASN H . . 5.900 5.867 5.804 5.925 0.025 12 0 "[ . 1 . 2]" 1
3754 1 109 TYR HB3 1 110 THR H . . 5.680 4.364 4.334 4.395 . 0 0 "[ . 1 . 2]" 1
3755 1 109 TYR HB3 1 110 THR HA . . 5.850 4.771 4.734 4.807 . 0 0 "[ . 1 . 2]" 1
3756 1 109 TYR HB3 1 110 THR HB . . 5.930 4.544 4.384 4.648 . 0 0 "[ . 1 . 2]" 1
3757 1 109 TYR HB3 1 110 THR MG . . 5.920 5.242 5.179 5.344 . 0 0 "[ . 1 . 2]" 1
3758 1 109 TYR QD 1 110 THR H . . 5.670 5.003 4.982 5.016 . 0 0 "[ . 1 . 2]" 1
3759 1 109 TYR QD 1 110 THR MG . . 5.860 5.768 5.708 5.856 . 0 0 "[ . 1 . 2]" 1
3760 1 110 THR H 1 111 ASN H . . 4.970 1.841 1.814 1.861 . 0 0 "[ . 1 . 2]" 1
3761 1 110 THR H 1 111 ASN HA . . 5.900 4.619 4.593 4.644 . 0 0 "[ . 1 . 2]" 1
3762 1 110 THR H 1 111 ASN HB2 . . 5.710 4.329 4.183 4.399 . 0 0 "[ . 1 . 2]" 1
3763 1 110 THR H 1 111 ASN HB3 . . 5.790 4.136 4.049 4.187 . 0 0 "[ . 1 . 2]" 1
3764 1 110 THR H 1 112 PRO HD3 . . 5.930 5.698 5.630 5.787 . 0 0 "[ . 1 . 2]" 1
3765 1 110 THR HA 1 111 ASN H . . 5.260 3.487 3.413 3.525 . 0 0 "[ . 1 . 2]" 1
3766 1 110 THR HA 1 111 ASN HA . . 5.750 4.602 4.593 4.610 . 0 0 "[ . 1 . 2]" 1
3767 1 110 THR HA 1 111 ASN HB2 . . 5.930 5.610 5.582 5.625 . 0 0 "[ . 1 . 2]" 1
3768 1 110 THR HA 1 112 PRO HD2 . . 5.920 5.938 5.920 5.970 0.050 15 0 "[ . 1 . 2]" 1
3769 1 110 THR HA 1 112 PRO HD3 . . 5.690 4.545 4.511 4.610 . 0 0 "[ . 1 . 2]" 1
3770 1 110 THR HB 1 111 ASN H . . 5.780 4.228 4.169 4.304 . 0 0 "[ . 1 . 2]" 1
3771 1 110 THR HB 1 111 ASN HB2 . . 5.930 5.976 5.942 6.015 0.085 8 0 "[ . 1 . 2]" 1
3772 1 110 THR MG 1 111 ASN H . . 5.410 2.695 2.575 2.916 . 0 0 "[ . 1 . 2]" 1
3773 1 110 THR MG 1 111 ASN HA . . 5.780 3.639 3.538 3.723 . 0 0 "[ . 1 . 2]" 1
3774 1 110 THR MG 1 111 ASN HB2 . . 5.720 3.203 3.127 3.340 . 0 0 "[ . 1 . 2]" 1
3775 1 110 THR MG 1 111 ASN HB3 . . 5.730 4.133 4.046 4.290 . 0 0 "[ . 1 . 2]" 1
3776 1 111 ASN H 1 111 ASN HD21 . . 5.820 4.837 4.787 4.864 . 0 0 "[ . 1 . 2]" 1
3777 1 111 ASN H 1 112 PRO HA . . 5.780 5.135 5.109 5.189 . 0 0 "[ . 1 . 2]" 1
3778 1 111 ASN H 1 112 PRO HD2 . . 5.640 4.878 4.862 4.896 . 0 0 "[ . 1 . 2]" 1
3779 1 111 ASN H 1 112 PRO HD3 . . 5.440 4.468 4.433 4.510 . 0 0 "[ . 1 . 2]" 1
3780 1 111 ASN H 1 112 PRO QG . . 5.930 6.003 5.996 6.019 0.089 7 0 "[ . 1 . 2]" 1
3781 1 111 ASN H 1 113 ASN H . . 5.840 5.479 5.449 5.500 . 0 0 "[ . 1 . 2]" 1
3782 1 111 ASN HA 1 112 PRO HA . . 5.760 4.538 4.528 4.548 . 0 0 "[ . 1 . 2]" 1
3783 1 111 ASN HA 1 112 PRO HB2 . . 5.930 5.612 5.604 5.619 . 0 0 "[ . 1 . 2]" 1
3784 1 111 ASN HA 1 112 PRO HB3 . . 5.870 4.843 4.827 4.869 . 0 0 "[ . 1 . 2]" 1
3785 1 111 ASN HA 1 112 PRO HD2 . . 4.950 2.112 2.093 2.137 . 0 0 "[ . 1 . 2]" 1
3786 1 111 ASN HA 1 112 PRO HD3 . . 5.040 2.401 2.377 2.430 . 0 0 "[ . 1 . 2]" 1
3787 1 111 ASN HA 1 112 PRO HG2 . . 5.640 4.337 4.320 4.359 . 0 0 "[ . 1 . 2]" 1
3788 1 111 ASN HA 1 112 PRO HG3 . . 5.780 4.461 4.448 4.473 . 0 0 "[ . 1 . 2]" 1
3789 1 111 ASN HA 1 113 ASN H . . 5.320 3.540 3.459 3.583 . 0 0 "[ . 1 . 2]" 1
3790 1 111 ASN HA 1 113 ASN HD21 . . 5.880 4.016 3.825 5.890 0.010 16 0 "[ . 1 . 2]" 1
3791 1 111 ASN HB2 1 112 PRO HD2 . . 5.780 4.326 4.280 4.351 . 0 0 "[ . 1 . 2]" 1
3792 1 111 ASN HB2 1 112 PRO HD3 . . 5.900 4.878 4.837 4.911 . 0 0 "[ . 1 . 2]" 1
3793 1 111 ASN HB2 1 113 ASN H . . 5.920 4.772 4.673 4.805 . 0 0 "[ . 1 . 2]" 1
3794 1 111 ASN HB3 1 112 PRO HD2 . . 5.800 4.577 4.542 4.633 . 0 0 "[ . 1 . 2]" 1
3795 1 111 ASN HB3 1 112 PRO HD3 . . 5.860 5.064 5.042 5.086 . 0 0 "[ . 1 . 2]" 1
3796 1 111 ASN HB3 1 113 ASN H . . 5.700 4.205 4.144 4.272 . 0 0 "[ . 1 . 2]" 1
3797 1 111 ASN HB3 1 114 LEU H . . 5.690 3.992 3.797 4.324 . 0 0 "[ . 1 . 2]" 1
3798 1 111 ASN HB3 1 114 LEU HB2 . . 5.760 4.084 3.609 4.813 . 0 0 "[ . 1 . 2]" 1
3799 1 111 ASN HB3 1 114 LEU HG . . 5.570 3.005 2.828 3.119 . 0 0 "[ . 1 . 2]" 1
3800 1 111 ASN HB3 1 114 LEU MD1 . . 5.430 2.796 2.410 3.034 . 0 0 "[ . 1 . 2]" 1
3801 1 111 ASN HB3 1 114 LEU MD2 . . 5.590 4.338 3.851 4.577 . 0 0 "[ . 1 . 2]" 1
3802 1 111 ASN HD21 1 113 ASN HB2 . . 5.630 4.316 4.184 4.381 . 0 0 "[ . 1 . 2]" 1
3803 1 111 ASN HD21 1 113 ASN HB3 . . 6.000 5.949 5.832 6.023 0.023 12 0 "[ . 1 . 2]" 1
3804 1 111 ASN HD21 1 114 LEU H . . 5.540 4.708 4.552 4.950 . 0 0 "[ . 1 . 2]" 1
3805 1 111 ASN HD21 1 114 LEU HA . . 5.790 5.811 5.513 5.875 0.085 5 0 "[ . 1 . 2]" 1
3806 1 111 ASN HD21 1 114 LEU HB2 . . 5.830 4.996 4.631 5.539 . 0 0 "[ . 1 . 2]" 1
3807 1 111 ASN HD21 1 114 LEU HB3 . . 5.780 5.547 5.374 5.792 0.012 17 0 "[ . 1 . 2]" 1
3808 1 111 ASN HD21 1 114 LEU HG . . 5.490 2.855 2.753 3.167 . 0 0 "[ . 1 . 2]" 1
3809 1 111 ASN HD21 1 114 LEU MD1 . . 5.490 2.573 2.365 3.169 . 0 0 "[ . 1 . 2]" 1
3810 1 111 ASN HD21 1 114 LEU MD2 . . 5.370 3.139 2.642 3.475 . 0 0 "[ . 1 . 2]" 1
3811 1 111 ASN HD21 1 114 LEU QD . . 5.230 2.416 2.309 2.582 . 0 0 "[ . 1 . 2]" 1
3812 1 111 ASN HD22 1 113 ASN H . . 5.560 4.070 3.875 4.115 . 0 0 "[ . 1 . 2]" 1
3813 1 111 ASN HD22 1 113 ASN HA . . 6.000 5.767 5.486 5.850 . 0 0 "[ . 1 . 2]" 1
3814 1 111 ASN HD22 1 113 ASN HB2 . . 5.570 2.863 2.633 2.942 . 0 0 "[ . 1 . 2]" 1
3815 1 111 ASN HD22 1 114 LEU H . . 5.770 4.377 4.178 4.507 . 0 0 "[ . 1 . 2]" 1
3816 1 111 ASN HD22 1 114 LEU HA . . 5.750 5.363 4.927 5.550 . 0 0 "[ . 1 . 2]" 1
3817 1 111 ASN HD22 1 114 LEU HB3 . . 5.930 5.850 5.758 5.939 0.009 17 0 "[ . 1 . 2]" 1
3818 1 111 ASN HD22 1 114 LEU HG . . 5.520 2.983 2.817 3.344 . 0 0 "[ . 1 . 2]" 1
3819 1 111 ASN HD22 1 114 LEU MD1 . . 5.730 3.544 3.310 4.167 . 0 0 "[ . 1 . 2]" 1
3820 1 111 ASN HD22 1 114 LEU MD2 . . 5.330 2.986 2.667 3.352 . 0 0 "[ . 1 . 2]" 1
3821 1 111 ASN HD22 1 114 LEU QD . . 5.260 2.815 2.625 2.989 . 0 0 "[ . 1 . 2]" 1
3822 1 112 PRO HA 1 113 ASN H . . 5.440 3.485 3.473 3.501 . 0 0 "[ . 1 . 2]" 1
3823 1 112 PRO HA 1 113 ASN HB2 . . 5.930 5.780 5.746 5.795 . 0 0 "[ . 1 . 2]" 1
3824 1 112 PRO HA 1 114 LEU H . . 5.480 3.797 3.660 3.890 . 0 0 "[ . 1 . 2]" 1
3825 1 112 PRO HA 1 114 LEU HG . . 5.910 5.579 5.005 5.866 . 0 0 "[ . 1 . 2]" 1
3826 1 112 PRO HB2 1 113 ASN H . . 5.570 3.902 3.851 3.964 . 0 0 "[ . 1 . 2]" 1
3827 1 112 PRO HB2 1 113 ASN HA . . 5.730 4.253 4.232 4.278 . 0 0 "[ . 1 . 2]" 1
3828 1 112 PRO HB2 1 113 ASN HD22 . . 5.890 5.510 4.674 5.690 . 0 0 "[ . 1 . 2]" 1
3829 1 112 PRO HB2 1 113 ASN QB . . 6.000 5.492 5.457 5.561 . 0 0 "[ . 1 . 2]" 1
3830 1 112 PRO HB2 1 114 LEU H . . 5.850 5.265 5.117 5.367 . 0 0 "[ . 1 . 2]" 1
3831 1 112 PRO HB3 1 113 ASN H . . 5.770 4.385 4.367 4.423 . 0 0 "[ . 1 . 2]" 1
3832 1 112 PRO HD2 1 113 ASN H . . 5.210 2.547 2.475 2.607 . 0 0 "[ . 1 . 2]" 1
3833 1 112 PRO HD2 1 113 ASN HB2 . . 5.900 4.327 4.265 4.393 . 0 0 "[ . 1 . 2]" 1
3834 1 112 PRO HD2 1 113 ASN HD21 . . 5.710 2.904 2.755 4.055 . 0 0 "[ . 1 . 2]" 1
3835 1 112 PRO HD2 1 113 ASN HD22 . . 5.900 3.272 3.146 3.867 . 0 0 "[ . 1 . 2]" 1
3836 1 112 PRO HD2 1 114 LEU H . . 5.880 4.932 4.868 5.022 . 0 0 "[ . 1 . 2]" 1
3837 1 112 PRO HD2 1 114 LEU HG . . 6.000 5.677 5.533 5.812 . 0 0 "[ . 1 . 2]" 1
3838 1 112 PRO HD3 1 113 ASN H . . 5.590 3.802 3.759 3.829 . 0 0 "[ . 1 . 2]" 1
3839 1 112 PRO HD3 1 113 ASN HD21 . . 5.890 4.667 4.546 5.318 . 0 0 "[ . 1 . 2]" 1
3840 1 112 PRO HG2 1 113 ASN H . . 5.300 2.740 2.691 2.854 . 0 0 "[ . 1 . 2]" 1
3841 1 112 PRO HG2 1 113 ASN HD21 . . 5.740 3.529 2.554 3.712 . 0 0 "[ . 1 . 2]" 1
3842 1 112 PRO HG2 1 113 ASN HD22 . . 5.760 3.192 2.695 3.339 . 0 0 "[ . 1 . 2]" 1
3843 1 112 PRO HG3 1 113 ASN H . . 5.760 4.181 4.143 4.254 . 0 0 "[ . 1 . 2]" 1
3844 1 112 PRO HG3 1 113 ASN HD21 . . 5.820 4.870 4.303 4.997 . 0 0 "[ . 1 . 2]" 1
3845 1 113 ASN H 1 113 ASN HD21 . . 5.610 2.544 2.472 2.987 . 0 0 "[ . 1 . 2]" 1
3846 1 113 ASN H 1 113 ASN HD22 . . 5.750 3.556 3.506 3.777 . 0 0 "[ . 1 . 2]" 1
3847 1 114 LEU H 1 114 LEU HG . . 5.340 2.320 2.151 2.456 . 0 0 "[ . 1 . 2]" 1
3848 1 114 LEU H 1 114 LEU MD2 . . 5.370 3.288 3.109 3.527 . 0 0 "[ . 1 . 2]" 1
3849 2 3 A H1' 2 3 A H2 . . 5.500 4.506 4.425 4.586 . 0 0 "[ . 1 . 2]" 1
3850 2 3 A H1' 2 3 A H8 . . 5.000 3.886 3.854 3.914 . 0 0 "[ . 1 . 2]" 1
3851 2 3 A H1' 2 3 A H2' . . 4.000 2.997 2.906 3.029 . 0 0 "[ . 1 . 2]" 1
3852 2 3 A H2' 2 3 A H8 . . 3.500 2.132 2.016 2.299 . 0 0 "[ . 1 . 2]" 1
3853 2 3 A H2' 2 4 C H6 . . 6.000 3.936 3.742 4.323 . 0 0 "[ . 1 . 2]" 1
3854 2 3 A H3' 2 3 A H8 . . 4.000 4.016 3.519 4.167 0.167 9 0 "[ . 1 . 2]" 1
3855 2 3 A H3' 2 4 C H6 . . 6.000 3.448 3.222 3.727 . 0 0 "[ . 1 . 2]" 1
3856 2 3 A H1' 2 3 A H4' . . 5.000 3.376 3.025 3.740 . 0 0 "[ . 1 . 2]" 1
3857 2 3 A H4' 2 3 A H8 . . 6.000 4.941 4.585 5.161 . 0 0 "[ . 1 . 2]" 1
3858 2 3 A Q5' 2 3 A H8 . . 4.000 2.914 2.109 3.654 . 0 0 "[ . 1 . 2]" 1
3859 2 4 C H1' 2 4 C H6 . . 4.500 3.727 3.719 3.733 . 0 0 "[ . 1 . 2]" 1
3860 2 4 C H2' 2 4 C H5 . . 5.500 4.347 4.233 4.424 . 0 0 "[ . 1 . 2]" 1
3861 2 4 C H2' 2 4 C H6 . . 3.500 2.094 1.981 2.189 . 0 0 "[ . 1 . 2]" 1
3862 2 4 C H3' 2 4 C H6 . . 5.000 4.199 4.100 4.295 . 0 0 "[ . 1 . 2]" 1
3863 2 4 C H1' 2 4 C H4' . . 5.500 3.022 2.885 3.236 . 0 0 "[ . 1 . 2]" 1
3864 2 4 C H4' 2 4 C H6 . . 5.000 4.746 4.646 4.846 . 0 0 "[ . 1 . 2]" 1
3865 2 5 A H1' 2 5 A H2 . . 5.500 5.231 5.125 5.313 . 0 0 "[ . 1 . 2]" 1
3866 2 5 A H1' 2 5 A H8 . . 5.000 3.400 3.342 3.485 . 0 0 "[ . 1 . 2]" 1
3867 2 5 A H2' 2 5 A H8 . . 3.500 4.480 4.241 4.596 1.096 9 20 [********+******-****] 1
3868 2 5 A H2' 2 6 C H6 . . 5.500 5.758 4.853 6.213 0.713 18 9 "[** *. **1 - * *+ 2]" 1
3869 2 5 A H3' 2 5 A H8 . . 4.500 4.777 4.643 5.055 0.555 16 2 "[ . - 1 .+ 2]" 1
3870 2 5 A H3' 2 6 C H6 . . 5.500 5.172 4.283 5.710 0.210 6 0 "[ . 1 . 2]" 1
3871 2 5 A H4' 2 5 A H8 . . 5.000 4.095 3.961 4.158 . 0 0 "[ . 1 . 2]" 1
3872 2 5 A H8 2 6 C H1' . . 6.000 10.468 7.267 10.821 4.821 14 20 [******-******+******] 1
3873 2 5 A H8 2 6 C H5 . . 5.000 9.323 8.496 10.164 5.164 6 20 [*****+************-*] 1
3874 2 5 A H8 2 6 C H6 . . 5.500 8.621 8.079 9.278 3.778 6 20 [*****+************-*] 1
3875 2 6 C H1' 2 6 C H2' . . 4.000 3.041 3.026 3.045 . 0 0 "[ . 1 . 2]" 1
3876 2 6 C H2' 2 6 C H5 . . 5.500 4.388 4.326 5.144 . 0 0 "[ . 1 . 2]" 1
3877 2 6 C H2' 2 6 C H6 . . 3.500 2.085 1.959 3.478 . 0 0 "[ . 1 . 2]" 1
3878 2 6 C H3' 2 6 C H6 . . 5.000 4.354 4.282 5.105 0.105 7 0 "[ . 1 . 2]" 1
3879 2 6 C H1' 2 6 C H4' . . 4.000 3.019 2.710 3.129 . 0 0 "[ . 1 . 2]" 1
3880 1 18 VAL QG 2 5 A H2 . . 4.000 10.800 10.278 11.362 7.362 6 20 [*****+********-*****] 1
3881 1 18 VAL QG 2 5 A H8 . . 6.000 8.733 8.345 9.092 3.092 6 20 [*****+********-*****] 1
3882 1 20 LEU QB 2 4 C H1' . . 6.000 12.292 12.015 12.496 6.496 13 20 [***********-+*******] 1
3883 1 20 LEU QD 2 3 A H2' . . 6.000 7.412 6.998 7.660 1.660 17 20 [***********-****+***] 1
3884 1 20 LEU QD 2 3 A H3' . . 6.000 7.149 6.623 7.415 1.415 2 20 [*+*********-********] 1
3885 1 20 LEU QD 2 4 C H1' . . 4.000 9.772 9.520 10.167 6.167 17 20 [********-*******+***] 1
3886 1 20 LEU QD 2 4 C H2' . . 5.500 10.469 10.232 10.798 5.298 8 20 [*******+-***********] 1
3887 1 20 LEU QD 2 4 C H3' . . 6.000 10.520 10.266 10.889 4.889 8 20 [*******+-***********] 1
3888 1 20 LEU QD 2 4 C H4' . . 4.500 8.758 8.522 9.132 4.632 17 20 [********-*******+***] 1
3889 1 20 LEU QD 2 4 C H5 . . 3.500 10.001 9.567 10.393 6.893 18 20 [***********-*****+**] 1
3890 1 20 LEU QD 2 4 C H6 . . 3.500 9.704 9.343 9.974 6.474 8 20 [*******+***-********] 1
3891 1 20 LEU QD 2 4 C Q5' . . 4.500 8.102 7.856 8.404 3.904 8 20 [*******+-***********] 1
3892 1 22 THR HB 2 3 A H8 . . 6.000 16.692 16.270 17.035 11.035 2 20 [-+******************] 1
3893 1 22 THR MG 2 3 A H1' . . 6.000 11.104 10.859 11.436 5.436 16 20 [**********-****+****] 1
3894 1 22 THR MG 2 3 A H2 . . 6.000 11.619 11.476 11.916 5.916 20 20 [*******-***********+] 1
3895 1 22 THR MG 2 3 A Q5' . . 6.000 10.313 9.319 11.047 5.047 19 20 [********-*********+*] 1
3896 1 23 ILE MD 2 3 A H2 . . 5.500 9.769 9.556 10.126 4.626 12 20 [****-******+********] 1
3897 1 24 LEU QD 2 3 A H2 . . 5.500 13.023 12.742 13.674 8.174 12 20 [****-******+********] 1
3898 1 24 LEU QD 2 3 A H2' . . 6.000 15.045 14.577 15.821 9.821 17 20 [****************+**-] 1
3899 1 49 VAL QG 2 5 A H1' . . 4.500 3.095 2.001 3.990 . 0 0 "[ . 1 . 2]" 1
3900 1 49 VAL QG 2 5 A H2 . . 4.500 4.223 3.606 5.013 0.513 3 2 "[ + .- 1 . 2]" 1
3901 1 49 VAL QG 2 5 A H2' . . 6.000 4.636 3.727 5.519 . 0 0 "[ . 1 . 2]" 1
3902 1 49 VAL QG 2 6 C H1' . . 5.000 9.060 6.592 9.739 4.739 10 20 [******-**+**********] 1
3903 1 51 PHE HZ 2 4 C H4' . . 6.000 7.468 7.342 7.598 1.598 13 20 [********-***+*******] 1
3904 1 51 PHE HZ 2 4 C Q5' . . 6.000 7.326 7.064 7.473 1.473 18 20 [***********-*****+**] 1
3905 1 51 PHE HZ 2 5 A H4' . . 6.000 8.291 7.969 8.510 2.510 3 20 [**+**************-**] 1
3906 1 51 PHE QB 2 6 C H4' . . 6.000 8.380 6.447 9.040 3.040 19 19 "[****** **********-+*]" 1
3907 1 51 PHE QD 2 4 C Q5' . . 5.500 5.401 5.194 5.572 0.072 20 0 "[ . 1 . 2]" 1
3908 1 51 PHE QD 2 5 A H4' . . 6.000 4.311 3.989 4.518 . 0 0 "[ . 1 . 2]" 1
3909 1 51 PHE QD 2 6 C H4' . . 5.500 9.705 7.860 10.406 4.906 19 20 [******-***********+*] 1
3910 1 51 PHE QE 2 4 C H4' . . 6.000 5.499 5.379 5.542 . 0 0 "[ . 1 . 2]" 1
3911 1 51 PHE QE 2 4 C Q5' . . 6.000 5.974 5.829 6.085 0.085 5 0 "[ . 1 . 2]" 1
3912 1 51 PHE QE 2 5 A H4' . . 6.000 6.420 6.121 6.634 0.634 3 7 "[* + .* ** .* -]" 1
3913 1 51 PHE QE 2 6 C H4' . . 5.500 11.717 9.955 12.426 6.926 19 20 [******-***********+*] 1
3914 1 53 LYS QD 2 4 C H3' . . 6.000 6.686 6.352 6.957 0.957 18 16 "[***** ** 1- *****+**]" 1
3915 1 53 LYS QD 2 4 C H4' . . 5.500 5.665 5.383 5.874 0.374 18 0 "[ . 1 . 2]" 1
3916 1 53 LYS QD 2 4 C Q5' . . 6.000 4.200 3.906 4.443 . 0 0 "[ . 1 . 2]" 1
3917 1 53 LYS QD 2 5 A H4' . . 6.000 5.275 4.996 5.504 . 0 0 "[ . 1 . 2]" 1
3918 1 53 LYS QD 2 6 C H4' . . 6.000 11.221 9.530 12.097 6.097 19 20 [******-***********+*] 1
3919 1 53 LYS QD 2 6 C Q5' . . 5.500 8.359 7.882 9.119 3.619 19 20 [********-*********+*] 1
3920 1 53 LYS QE 2 4 C H3' . . 5.500 8.102 7.785 8.269 2.769 18 20 [********-********+**] 1
3921 1 53 LYS QE 2 4 C H4' . . 6.000 6.721 6.598 6.863 0.863 7 20 [******+*********-***] 1
3922 1 53 LYS QE 2 4 C Q5' . . 6.000 5.444 5.137 5.601 . 0 0 "[ . 1 . 2]" 1
3923 1 53 LYS QE 2 5 A H3' . . 6.000 9.066 8.889 9.236 3.236 1 20 [+*************-*****] 1
3924 1 53 LYS QE 2 5 A H4' . . 5.000 6.725 6.459 6.942 1.942 20 20 [**************-****+] 1
3925 1 53 LYS QG 2 3 A H4' . . 5.500 6.319 6.039 6.521 1.021 12 20 [***********+*******-] 1
3926 1 53 LYS QG 2 4 C H3' . . 6.000 8.618 8.403 8.829 2.829 18 20 [********-********+**] 1
3927 1 53 LYS QG 2 4 C H4' . . 6.000 7.280 7.013 7.443 1.443 15 20 [*****-********+*****] 1
3928 1 54 ASN QB 2 3 A H1' . . 5.500 11.263 10.952 11.445 5.945 16 20 [***************+**-*] 1
3929 1 54 ASN QB 2 3 A H3' . . 5.500 10.556 10.112 10.744 5.244 15 20 [********-*****+*****] 1
3930 1 54 ASN QB 2 3 A H4' . . 4.500 8.838 8.664 9.037 4.537 15 20 [-*************+*****] 1
3931 1 54 ASN QB 2 3 A H8 . . 6.000 13.237 12.764 13.574 7.574 15 20 [**************+****-] 1
3932 1 54 ASN QB 2 3 A Q5' . . 5.500 9.351 8.623 9.565 4.065 11 20 [********-*+*********] 1
3933 1 55 GLY QA 2 3 A H1' . . 4.500 13.031 12.789 13.188 8.688 16 20 [**********-****+****] 1
3934 1 55 GLY QA 2 3 A H2 . . 3.500 14.903 14.725 15.135 11.635 20 20 [******************-+] 1
3935 1 56 VAL HA 2 3 A H2 . . 6.000 13.688 13.458 14.036 8.036 12 20 [***********+**-*****] 1
3936 1 56 VAL HB 2 3 A H2 . . 6.000 15.303 15.089 15.620 9.620 12 20 [***********+**-*****] 1
3937 1 56 VAL QG 2 3 A H2 . . 3.500 11.103 10.890 11.395 7.895 12 20 [***********+**-*****] 1
3938 1 57 GLN QG 2 3 A H1' . . 6.000 9.040 8.707 9.279 3.279 16 20 [**********-****+****] 1
3939 1 57 GLN QG 2 3 A H2 . . 5.500 10.303 10.136 10.483 4.983 12 20 [*******-***+********] 1
3940 1 57 GLN QG 2 3 A H4' . . 5.500 7.725 7.190 8.095 2.595 19 20 [********-*********+*] 1
3941 1 57 GLN QG 2 3 A H8 . . 6.000 11.664 11.077 12.030 6.030 17 20 [****************+**-] 1
3942 1 59 MET QB 2 5 A H2 . . 4.000 9.395 8.783 10.023 6.023 11 20 [**********+**-******] 1
3943 1 59 MET ME 2 4 C H1' . . 4.500 7.906 7.735 8.259 3.759 8 20 [*******+*********-**] 1
3944 1 59 MET ME 2 4 C H4' . . 6.000 7.784 7.577 7.965 1.965 17 20 [****************+-**] 1
3945 1 59 MET ME 2 5 A H1' . . 4.500 8.358 7.738 9.101 4.601 3 20 [**+**************-**] 1
3946 1 59 MET ME 2 5 A H2 . . 4.000 10.769 10.216 11.211 7.211 12 20 [***********+*-******] 1
3947 1 59 MET ME 2 5 A H2' . . 5.500 10.268 9.792 10.732 5.232 6 20 [*****+***********-**] 1
3948 1 59 MET ME 2 5 A H3' . . 6.000 10.906 10.456 11.349 5.349 11 20 [**********+******-**] 1
3949 1 59 MET ME 2 5 A H4' . . 5.500 9.657 9.243 9.983 4.483 10 20 [*********+*******-**] 1
3950 1 59 MET ME 2 5 A H8 . . 5.000 7.003 6.632 7.333 2.333 6 20 [*****+***********-**] 1
3951 1 59 MET QG 2 4 C H4' . . 6.000 7.067 6.826 7.307 1.307 6 20 [*****+*****-********] 1
3952 1 59 MET QG 2 5 A H1' . . 5.000 6.528 5.927 7.380 2.380 6 20 [*****+***********-**] 1
3953 1 59 MET QG 2 5 A H2 . . 5.000 9.784 9.259 10.371 5.371 6 20 [*****+*******-******] 1
3954 1 59 MET QG 2 5 A H4' . . 5.600 8.057 7.697 8.413 2.813 6 20 [*****+***********-**] 1
3955 1 59 MET QG 2 5 A H8 . . 6.000 5.784 5.541 6.207 0.207 6 0 "[ . 1 . 2]" 1
3956 1 61 GLU QB 2 5 A H2 . . 5.000 11.119 10.469 11.950 6.950 6 20 [*****+************-*] 1
3957 1 61 GLU QG 2 5 A H2 . . 6.000 12.989 12.310 13.867 7.867 6 20 [*****+************-*] 1
3958 1 90 GLU QB 2 4 C H5 . . 6.000 16.746 16.435 17.102 11.102 18 20 [*********-*******+**] 1
3959 1 90 GLU QG 2 4 C H5 . . 5.000 14.920 14.584 15.286 10.286 18 20 [*****-***********+**] 1
3960 1 92 ALA MB 2 4 C H1' . . 6.000 10.214 10.007 10.508 4.508 6 20 [****-+**************] 1
3961 1 92 ALA MB 2 4 C H4' . . 6.000 10.264 10.025 10.566 4.566 6 20 [*****+********-*****] 1
3962 1 92 ALA MB 2 4 C H5 . . 6.000 9.168 8.755 9.465 3.465 13 20 [*********-**+*******] 1
3963 1 92 ALA MB 2 4 C H6 . . 6.000 9.727 9.388 9.952 3.952 13 20 [*********-**+*******] 1
3964 1 92 ALA MB 2 5 A H2 . . 6.000 13.284 12.798 13.891 7.891 6 20 [*****+********-*****] 1
3965 1 93 LYS QD 2 4 C H1' . . 5.500 12.710 11.773 13.667 8.167 11 20 [**********+***-*****] 1
3966 1 93 LYS QD 2 4 C H5 . . 6.000 9.563 9.015 10.761 4.761 18 20 [*********-*******+**] 1
3967 1 93 LYS QD 2 4 C H6 . . 6.000 10.468 9.704 11.473 5.473 11 20 [**********+***-*****] 1
3968 1 93 LYS QE 2 4 C H1' . . 5.500 11.722 10.693 13.269 7.769 12 20 [****-******+********] 1
3969 1 93 LYS QE 2 4 C H2' . . 5.000 11.145 10.052 12.781 7.781 12 20 [***********+*-******] 1
3970 1 93 LYS QE 2 4 C H3' . . 5.500 12.022 11.068 13.509 8.009 9 20 [****-***+***********] 1
3971 1 93 LYS QE 2 4 C H4' . . 6.000 11.159 10.224 12.584 6.584 12 20 [****-******+********] 1
3972 1 93 LYS QE 2 4 C H5 . . 5.500 9.043 7.675 10.952 5.452 15 20 [**-***********+*****] 1
3973 1 93 LYS QE 2 4 C H6 . . 5.500 9.612 8.454 11.323 5.823 15 20 [**-***********+*****] 1
3974 1 93 LYS QG 2 4 C H1' . . 6.000 11.788 10.780 13.392 7.392 11 20 [****-*****+*********] 1
3975 1 93 LYS QG 2 4 C H5 . . 6.000 8.978 7.790 10.921 4.921 18 20 [*****-***********+**] 1
3976 1 93 LYS QG 2 4 C H6 . . 6.000 9.910 8.838 11.646 5.646 18 20 [****************-+**] 1
3977 1 94 PRO QD 2 4 C H1' . . 4.500 9.548 9.155 9.822 5.322 6 20 [*****+********-*****] 1
3978 1 94 PRO QB 2 4 C H1' . . 6.000 7.635 7.488 7.878 1.878 6 20 [*****+********-*****] 1
3979 1 94 PRO QB 2 5 A H4' . . 6.000 12.011 11.754 12.289 6.289 12 20 [***********+**-*****] 1
3980 1 94 PRO QB 2 5 A H8 . . 3.500 8.745 8.423 9.202 5.702 3 20 [**+***********-*****] 1
3981 1 94 PRO QD 2 4 C H2' . . 6.000 9.748 9.329 10.086 4.086 13 20 [*********-**+*******] 1
3982 1 94 PRO QD 2 5 A H4' . . 6.000 12.458 11.873 12.732 6.732 20 20 [**************-****+] 1
3983 1 94 PRO QD 2 5 A H8 . . 6.000 9.629 9.037 10.083 4.083 6 20 [*****+********-*****] 1
3984 1 94 PRO QG 2 4 C H1' . . 5.500 7.729 7.415 8.063 2.563 6 20 [*****+********-*****] 1
3985 1 94 PRO QG 2 5 A H4' . . 5.000 11.097 10.677 11.421 6.421 3 20 [**+***********-*****] 1
3986 1 94 PRO QG 2 5 A H8 . . 4.000 7.982 7.502 8.495 4.495 6 20 [*****+********-*****] 1
3987 1 97 LEU HG 2 5 A H2 . . 4.500 9.095 8.501 9.845 5.345 6 20 [*****+********-*****] 1
3988 1 97 LEU QB 2 5 A H2' . . 6.000 8.538 7.971 9.227 3.227 6 20 [*****+***********-**] 1
3989 1 97 LEU QD 2 5 A H1' . . 3.500 5.283 4.819 5.880 2.380 3 20 [**+**************-**] 1
3990 1 97 LEU QD 2 5 A H2 . . 4.000 5.352 4.886 5.914 1.914 6 20 [*****+********-*****] 1
3991 1 97 LEU QD 2 5 A H2' . . 4.000 6.238 5.789 6.835 2.835 6 20 [*****+********-*****] 1
3992 1 97 LEU QD 2 5 A H8 . . 4.500 4.341 3.997 4.716 0.216 6 0 "[ . 1 . 2]" 1
3993 1 97 LEU QD 2 6 C H1' . . 4.500 10.400 8.508 10.832 6.332 12 20 [******-****+********] 1
3994 1 97 LEU QD 2 6 C H5 . . 6.000 8.981 8.345 9.986 3.986 6 20 [****-+**************] 1
3995 1 97 LEU QD 2 6 C H6 . . 6.000 9.147 8.575 9.982 3.982 6 20 [****-+**************] 1
3996 1 98 ASN QD 2 6 C H5 . . 5.000 9.329 6.724 11.419 6.419 6 20 [****-+**************] 1
3997 1 98 ASN QB 2 6 C H1' . . 5.000 11.396 9.875 12.505 7.505 11 20 [******-***+*********] 1
3998 1 98 ASN QB 2 6 C H2' . . 6.000 10.704 9.860 12.060 6.060 7 20 [******+*****-*******] 1
3999 1 98 ASN QB 2 6 C H5 . . 6.000 7.648 6.673 9.033 3.033 11 20 [**********+*-*******] 1
4000 1 98 ASN QB 2 6 C H6 . . 6.000 9.009 8.186 10.294 4.294 11 20 [**********+*-*******] 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 83
_Distance_constraint_stats_list.Viol_count 1647
_Distance_constraint_stats_list.Viol_total 52749.297
_Distance_constraint_stats_list.Viol_max 12.111
_Distance_constraint_stats_list.Viol_rms 3.1595
_Distance_constraint_stats_list.Viol_average_all_restraints 1.5888
_Distance_constraint_stats_list.Viol_average_violations_only 1.6014
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 SER 13.802 0.733 17 17 "[****.** ********+-*2]"
1 18 VAL 19.853 0.950 10 20 [*********+****-*****]
1 19 LEU 38.887 0.886 9 20 [********+***********]
1 20 LEU 45.852 1.034 9 20 [*-******+***********]
1 21 PHE 19.998 0.558 18 4 "[ . 1 - *.* + 2]"
1 22 THR 37.067 0.867 20 20 [****************-**+]
1 23 ILE 27.771 0.993 9 20 [******-*+***********]
1 31 THR 27.466 0.984 3 20 [**+*****-***********]
1 32 THR 20.544 0.776 4 19 "[***+****** *********]"
1 34 VAL 32.167 0.963 3 20 [**+****************-]
1 35 LEU 46.091 0.984 3 20 [**+*****-***********]
1 36 TYR 31.082 0.776 4 19 "[***+****** *********]"
1 38 ILE 32.167 0.963 3 20 [**+****************-]
1 39 CYS 18.624 0.619 5 20 [****+***-***********]
1 40 ASN 10.538 0.474 10 0 "[ . 1 . 2]"
1 46 GLN 17.438 0.459 11 0 "[ . 1 . 2]"
1 47 ARG 52.099 1.050 14 20 [**********-**+******]
1 48 ILE 36.117 1.003 17 20 [*********-******+***]
1 49 VAL 36.845 0.949 9 20 [********+*****-*****]
1 50 ILE 19.653 0.643 14 13 "[ ***** *** +.* *-*]"
1 51 PHE 32.166 0.626 13 20 [************+******-]
1 56 VAL 265.483 12.111 12 20 [******-****+********]
1 57 GLN 32.166 0.626 13 20 [************+******-]
1 58 ALA 19.998 0.558 18 4 "[ . 1 - *.* + 2]"
1 59 MET 36.845 0.949 9 20 [********+*****-*****]
1 60 VAL 38.887 0.886 9 20 [********+***********]
1 61 GLU 61.069 1.050 14 20 [**********-**+******]
1 62 PHE 13.802 0.733 17 17 "[****.** ********+-*2]"
1 64 SER 30.731 0.961 1 20 [+************-******]
1 65 VAL 14.558 0.575 6 11 "[*** .+ **-**. * *2]"
1 66 GLN 32.653 1.023 17 20 [*-**************+***]
1 67 SER 28.091 0.892 11 20 [**********+*-*******]
1 68 ALA 50.579 0.961 1 20 [+******************-]
1 69 GLN 37.692 0.757 4 20 [***+************-***]
1 70 ARG 57.643 1.023 17 20 [**********-*****+***]
1 71 ALA 43.321 0.892 11 20 [********-*+*********]
1 72 LYS 19.848 0.830 6 20 [*****+*************-]
1 73 ALA 23.134 0.757 4 20 [***+************-***]
1 74 SER 24.990 0.701 17 20 [**********-*****+***]
1 75 LEU 15.229 0.614 19 20 [********-*********+*]
1 88 LYS 37.067 0.867 20 20 [****************-**+]
1 90 GLU 45.852 1.034 9 20 [*-******+***********]
1 91 TYR 451.874 12.010 13 20 [*********-**+*******]
1 92 ALA 19.853 0.950 10 20 [*********+****-*****]
1 93 LYS 405.312 10.709 13 20 [****-*******+*******]
1 98 ASN 808.777 11.362 6 20 [****-+**************]
1 102 ASN 26.793 0.853 8 20 [*******+*********-**]
1 103 ASP 10.874 0.489 6 0 "[ . 1 . 2]"
1 105 ASP 19.653 0.643 14 13 "[ ***** *** +.* *-*]"
1 106 THR 10.874 0.489 6 0 "[ . 1 . 2]"
1 107 TRP 36.117 1.003 17 20 [*********-******+***]
1 108 ASP 26.793 0.853 8 20 [*******+*********-**]
1 109 TYR 8.468 0.419 16 0 "[ . 1 . 2]"
2 3 A 237.712 12.111 12 20 [**********-+********]
2 4 C 857.186 12.010 13 20 [****-*******+*******]
2 6 C 808.777 11.362 6 20 [****-+**************]
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 17 SER O 1 62 PHE H . . 1.800 1.941 1.860 2.124 0.324 17 0 "[ . 1 . 2]" 2
2 1 17 SER O 1 62 PHE N . . 2.400 2.949 2.869 3.133 0.733 17 17 "[****.** ********+-*2]" 2
3 1 18 VAL O 1 92 ALA H . . 1.800 2.096 1.925 2.377 0.577 10 2 "[ . + - . 2]" 2
4 1 18 VAL O 1 92 ALA N . . 2.400 3.097 2.924 3.350 0.950 10 20 [*********+****-*****] 2
5 1 19 LEU H 1 60 VAL O . . 1.800 1.992 1.866 2.109 0.309 20 0 "[ . 1 . 2]" 2
6 1 19 LEU N 1 60 VAL O . . 2.400 2.982 2.872 3.087 0.687 20 18 "[*-***** ******** **+]" 2
7 1 19 LEU O 1 60 VAL H . . 1.800 2.196 2.064 2.307 0.507 9 1 "[ . +1 . 2]" 2
8 1 19 LEU O 1 60 VAL N . . 2.400 3.174 3.054 3.286 0.886 9 20 [********+*******-***] 2
9 1 20 LEU H 1 90 GLU O . . 1.800 1.897 1.835 1.941 0.141 17 0 "[ . 1 . 2]" 2
10 1 20 LEU N 1 90 GLU O . . 2.400 2.898 2.843 2.943 0.543 10 10 "[*-**** + .** *]" 2
11 1 20 LEU O 1 90 GLU H . . 1.800 2.481 2.454 2.495 0.695 11 20 [**********+**-******] 2
12 1 20 LEU O 1 90 GLU N . . 2.400 3.416 3.402 3.434 1.034 9 20 [*******-+***********] 2
13 1 21 PHE H 1 58 ALA O . . 1.800 1.799 1.776 1.832 0.032 10 0 "[ . 1 . 2]" 2
14 1 21 PHE N 1 58 ALA O . . 2.400 2.763 2.733 2.783 0.383 10 0 "[ . 1 . 2]" 2
15 1 21 PHE O 1 58 ALA H . . 1.800 1.956 1.904 2.026 0.226 16 0 "[ . 1 . 2]" 2
16 1 21 PHE O 1 58 ALA N . . 2.400 2.876 2.795 2.958 0.558 18 4 "[ . 1 - *.* + 2]" 2
17 1 22 THR H 1 88 LYS O . . 1.800 1.954 1.886 2.090 0.290 12 0 "[ . 1 . 2]" 2
18 1 22 THR N 1 88 LYS O . . 2.400 2.919 2.841 2.998 0.598 14 16 "[*** * ** ****+**-**2]" 2
19 1 22 THR O 1 88 LYS H . . 1.800 2.264 2.120 2.397 0.597 20 6 "[ - * 1 * *. * +]" 2
20 1 22 THR O 1 88 LYS N . . 2.400 3.116 2.932 3.267 0.867 20 20 [********-**********+] 2
21 1 23 ILE H 1 56 VAL O . . 1.800 2.307 2.003 2.432 0.632 9 12 "[* * . -*+** * *** *2]" 2
22 1 23 ILE N 1 56 VAL O . . 2.400 3.282 3.008 3.393 0.993 9 20 [********+****-******] 2
23 1 31 THR O 1 35 LEU H . . 1.800 2.302 2.064 2.408 0.608 3 13 "[**+ * * -* ** ** **2]" 2
24 1 31 THR O 1 35 LEU N . . 2.400 3.271 3.045 3.384 0.984 3 20 [**+*************-***] 2
25 1 32 THR O 1 36 TYR H . . 1.800 2.179 2.043 2.306 0.506 4 1 "[ +. 1 . 2]" 2
26 1 32 THR O 1 36 TYR N . . 2.400 3.049 2.898 3.176 0.776 4 19 "[***+*****- *********]" 2
27 1 34 VAL O 1 38 ILE H . . 1.800 2.468 2.455 2.480 0.680 3 20 [**+****************-] 2
28 1 34 VAL O 1 38 ILE N . . 2.400 3.340 3.325 3.363 0.963 3 20 [**+******-**********] 2
29 1 35 LEU O 1 39 CYS H . . 1.800 2.163 2.065 2.221 0.421 20 0 "[ . 1 . 2]" 2
30 1 35 LEU O 1 39 CYS N . . 2.400 2.968 2.905 3.019 0.619 5 20 [****+***-***********] 2
31 1 36 TYR O 1 40 ASN H . . 1.800 1.906 1.876 1.948 0.148 17 0 "[ . 1 . 2]" 2
32 1 36 TYR O 1 40 ASN N . . 2.400 2.821 2.787 2.874 0.474 10 0 "[ . 1 . 2]" 2
33 1 46 GLN H 1 61 GLU O . . 1.800 1.834 1.789 1.882 0.082 11 0 "[ . 1 . 2]" 2
34 1 46 GLN N 1 61 GLU O . . 2.400 2.814 2.766 2.859 0.459 11 0 "[ . 1 . 2]" 2
35 1 46 GLN O 1 109 TYR H . . 1.800 1.863 1.804 1.914 0.114 6 0 "[ . 1 . 2]" 2
36 1 46 GLN O 1 109 TYR N . . 2.400 2.761 2.715 2.819 0.419 16 0 "[ . 1 . 2]" 2
37 1 47 ARG H 1 61 GLU O . . 1.800 2.472 2.446 2.487 0.687 14 20 [*********-***+******] 2
38 1 47 ARG N 1 61 GLU O . . 2.400 3.436 3.418 3.450 1.050 14 20 [*********-***+******] 2
39 1 47 ARG O 1 61 GLU H . . 1.800 2.094 1.991 2.150 0.350 12 0 "[ . 1 . 2]" 2
40 1 47 ARG O 1 61 GLU N . . 2.400 3.003 2.939 3.056 0.656 17 20 [**********-*****+***] 2
41 1 48 ILE H 1 107 TRP O . . 1.800 2.162 2.004 2.398 0.598 17 1 "[ . 1 . + 2]" 2
42 1 48 ILE N 1 107 TRP O . . 2.400 3.168 3.009 3.403 1.003 17 20 [***********-****+***] 2
43 1 48 ILE O 1 107 TRP H . . 1.800 1.985 1.826 2.246 0.446 17 0 "[ . 1 . 2]" 2
44 1 48 ILE O 1 107 TRP N . . 2.400 2.891 2.810 3.035 0.635 17 7 "[* . ** - * + *]" 2
45 1 49 VAL H 1 59 MET O . . 1.800 2.288 2.096 2.409 0.609 9 11 "[ *** *+* **- **2]" 2
46 1 49 VAL N 1 59 MET O . . 2.400 3.241 3.051 3.349 0.949 9 20 [********+**********-] 2
47 1 49 VAL O 1 59 MET H . . 1.800 1.881 1.806 1.935 0.135 8 0 "[ . 1 . 2]" 2
48 1 49 VAL O 1 59 MET N . . 2.400 2.832 2.771 2.885 0.485 8 0 "[ . 1 . 2]" 2
49 1 50 ILE H 1 105 ASP O . . 1.800 2.298 2.091 2.411 0.611 20 12 "[ ***** *** *.* -+]" 2
50 1 50 ILE N 1 105 ASP O . . 2.400 2.884 2.794 3.043 0.643 14 6 "[ **- 1 +. **2]" 2
51 1 51 PHE H 1 57 GLN O . . 1.800 2.009 1.998 2.019 0.219 14 0 "[ . 1 . 2]" 2
52 1 51 PHE N 1 57 GLN O . . 2.400 3.001 2.979 3.016 0.616 6 20 [*****+********-*****] 2
53 1 51 PHE O 1 57 GLN H . . 1.800 2.005 1.918 2.031 0.231 7 0 "[ . 1 . 2]" 2
54 1 51 PHE O 1 57 GLN N . . 2.400 2.993 2.883 3.026 0.626 13 18 "[****.*******+ *****-]" 2
55 1 64 SER O 1 68 ALA H . . 1.800 2.433 2.405 2.459 0.659 16 20 [*************-*+****] 2
56 1 64 SER O 1 68 ALA N . . 2.400 3.304 3.240 3.361 0.961 1 20 [+****************-**] 2
57 1 65 VAL O 1 69 GLN H . . 1.800 2.023 1.948 2.110 0.310 6 0 "[ . 1 . 2]" 2
58 1 65 VAL O 1 69 GLN N . . 2.400 2.905 2.852 2.975 0.575 6 11 "[*** .+ **-**. * *2]" 2
59 1 66 GLN O 1 70 ARG H . . 1.800 2.427 2.407 2.447 0.647 17 20 [*-**************+***] 2
60 1 66 GLN O 1 70 ARG N . . 2.400 3.405 3.376 3.423 1.023 17 20 [*-**************+***] 2
61 1 67 SER O 1 71 ALA H . . 1.800 2.373 2.207 2.423 0.623 19 16 "[ ***. ***1**-*****+*]" 2
62 1 67 SER O 1 71 ALA N . . 2.400 3.231 3.073 3.292 0.892 11 20 [*********-+*********] 2
63 1 68 ALA O 1 72 LYS H . . 1.800 2.125 1.980 2.298 0.498 6 0 "[ . 1 . 2]" 2
64 1 68 ALA O 1 72 LYS N . . 2.400 3.067 2.933 3.230 0.830 6 20 [*****+*************-] 2
65 1 69 GLN O 1 73 ALA H . . 1.800 2.300 2.138 2.409 0.609 8 12 "[***** *+ * * .*- *]" 2
66 1 69 GLN O 1 73 ALA N . . 2.400 3.056 2.936 3.157 0.757 4 20 [***+**************-*] 2
67 1 70 ARG O 1 74 SER H . . 1.800 2.437 2.414 2.471 0.671 11 20 [*-********+*********] 2
68 1 70 ARG O 1 74 SER N . . 2.400 3.012 2.920 3.101 0.701 17 20 [**********-*****+***] 2
69 1 71 ALA O 1 75 LEU H . . 1.800 1.999 1.955 2.055 0.255 19 0 "[ . 1 . 2]" 2
70 1 71 ALA O 1 75 LEU N . . 2.400 2.963 2.923 3.014 0.614 19 20 [********-*********+*] 2
71 1 102 ASN OD1 1 108 ASP H . . 1.800 2.376 2.195 2.428 0.628 2 17 "[*+*** **** ** ***-**]" 2
72 1 102 ASN OD1 1 108 ASP N . . 2.400 3.163 3.006 3.253 0.853 8 20 [*****-*+************] 2
73 1 103 ASP OD1 1 106 THR H . . 1.800 1.928 1.805 2.016 0.216 18 0 "[ . 1 . 2]" 2
74 1 103 ASP OD1 1 106 THR N . . 2.400 2.816 2.775 2.889 0.489 6 0 "[ . 1 . 2]" 2
75 1 56 VAL N 2 3 A N3 . . 2.600 14.486 14.303 14.711 12.111 12 20 [**********-+********] 2
76 1 91 TYR O 2 4 C Q4 . . 1.800 12.695 12.460 12.976 11.176 13 20 [*********-**+*******] 2
77 1 91 TYR O 2 4 C N4 . . 2.600 14.299 14.053 14.610 12.010 13 20 [*********-**+*******] 2
78 1 93 LYS H 2 4 C O2 . . 1.800 12.152 11.773 12.509 10.709 13 20 [**********-*+*******] 2
79 1 93 LYS N 2 4 C O2 . . 2.600 12.513 12.182 12.771 10.171 13 20 [****-*******+*******] 2
80 1 98 ASN H 2 6 C O2 . . 1.800 12.571 12.064 13.078 11.278 3 20 [**+*-***************] 2
81 1 98 ASN N 2 6 C O2 . . 2.600 12.957 12.427 13.397 10.797 3 20 [**+*-***************] 2
82 1 98 ASN QD 2 6 C N3 . . 1.800 11.287 9.244 12.670 10.870 6 20 [****-+**************] 2
83 1 98 ASN ND2 2 6 C N3 . . 2.600 12.423 10.096 13.962 11.362 6 20 [****-+**************] 2
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