NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463665 |
2ror   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ror
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 2838
_Distance_constraint_stats_list.Viol_count 1823
_Distance_constraint_stats_list.Viol_total 1023.720
_Distance_constraint_stats_list.Viol_max 0.484
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.001 0.001 1 0 "[ . 1 . 2]"
1 13 GLN 0.073 0.073 2 0 "[ . 1 . 2]"
1 14 ASN 0.087 0.031 16 0 "[ . 1 . 2]"
1 15 TRP 0.102 0.031 16 0 "[ . 1 . 2]"
1 16 TRP 0.868 0.106 12 0 "[ . 1 . 2]"
1 17 GLU 0.919 0.220 16 0 "[ . 1 . 2]"
1 18 GLY 0.308 0.220 16 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.017 0.017 15 0 "[ . 1 . 2]"
1 21 GLN 0.191 0.174 2 0 "[ . 1 . 2]"
1 22 ASP 0.034 0.013 14 0 "[ . 1 . 2]"
1 23 LEU 0.600 0.033 16 0 "[ . 1 . 2]"
1 24 SER 0.188 0.027 2 0 "[ . 1 . 2]"
1 25 VAL 0.087 0.012 8 0 "[ . 1 . 2]"
1 26 HIS 1.640 0.068 19 0 "[ . 1 . 2]"
1 27 LEU 2.146 0.140 15 0 "[ . 1 . 2]"
1 28 TRP 1.922 0.064 7 0 "[ . 1 . 2]"
1 29 TYR 4.700 0.100 14 0 "[ . 1 . 2]"
1 30 ALA 2.236 0.118 1 0 "[ . 1 . 2]"
1 31 GLY 1.128 0.100 14 0 "[ . 1 . 2]"
1 32 PRO 0.117 0.037 13 0 "[ . 1 . 2]"
1 33 MET 0.691 0.068 13 0 "[ . 1 . 2]"
1 34 GLU 0.394 0.092 7 0 "[ . 1 . 2]"
1 35 ARG 0.376 0.092 7 0 "[ . 1 . 2]"
1 36 ALA 0.354 0.041 7 0 "[ . 1 . 2]"
1 37 GLY 0.300 0.059 12 0 "[ . 1 . 2]"
1 38 ALA 0.701 0.055 4 0 "[ . 1 . 2]"
1 39 GLU 0.694 0.068 14 0 "[ . 1 . 2]"
1 40 SER 0.507 0.071 14 0 "[ . 1 . 2]"
1 41 ILE 1.888 0.138 15 0 "[ . 1 . 2]"
1 42 LEU 5.505 0.275 4 0 "[ . 1 . 2]"
1 43 ALA 0.771 0.087 20 0 "[ . 1 . 2]"
1 44 ASN 0.022 0.020 14 0 "[ . 1 . 2]"
1 45 ARG 0.477 0.074 14 0 "[ . 1 . 2]"
1 46 SER 0.119 0.058 15 0 "[ . 1 . 2]"
1 47 ASP 0.043 0.014 20 0 "[ . 1 . 2]"
1 48 GLY 0.240 0.039 10 0 "[ . 1 . 2]"
1 49 THR 0.727 0.058 15 0 "[ . 1 . 2]"
1 50 PHE 1.099 0.073 10 0 "[ . 1 . 2]"
1 51 LEU 3.446 0.169 10 0 "[ . 1 . 2]"
1 52 VAL 1.784 0.093 13 0 "[ . 1 . 2]"
1 53 ARG 2.323 0.169 10 0 "[ . 1 . 2]"
1 54 GLN 0.347 0.043 16 0 "[ . 1 . 2]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.109 0.064 13 0 "[ . 1 . 2]"
1 57 LYS 0.631 0.184 13 0 "[ . 1 . 2]"
1 58 ASP 0.015 0.005 6 0 "[ . 1 . 2]"
1 59 ALA 0.039 0.009 8 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.116 0.018 5 0 "[ . 1 . 2]"
1 63 ALA 0.062 0.017 4 0 "[ . 1 . 2]"
1 64 ILE 0.313 0.033 14 0 "[ . 1 . 2]"
1 65 SER 0.616 0.051 13 0 "[ . 1 . 2]"
1 66 ILE 1.018 0.043 8 0 "[ . 1 . 2]"
1 67 LYS 0.089 0.017 14 0 "[ . 1 . 2]"
1 68 TYR 0.204 0.020 17 0 "[ . 1 . 2]"
1 69 ASN 1.445 0.104 15 0 "[ . 1 . 2]"
1 70 VAL 1.280 0.104 15 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.309 0.033 9 0 "[ . 1 . 2]"
1 73 LYS 0.519 0.125 14 0 "[ . 1 . 2]"
1 74 HIS 0.191 0.034 14 0 "[ . 1 . 2]"
1 75 ILE 1.148 0.198 14 0 "[ . 1 . 2]"
1 76 LYS 0.011 0.005 18 0 "[ . 1 . 2]"
1 77 ILE 0.103 0.017 4 0 "[ . 1 . 2]"
1 78 MET 0.018 0.007 16 0 "[ . 1 . 2]"
1 79 THR 0.038 0.008 9 0 "[ . 1 . 2]"
1 80 ALA 0.407 0.052 11 0 "[ . 1 . 2]"
1 81 GLU 0.676 0.085 11 0 "[ . 1 . 2]"
1 82 GLY 0.153 0.032 16 0 "[ . 1 . 2]"
1 83 LEU 0.585 0.085 11 0 "[ . 1 . 2]"
1 84 TYR 0.065 0.023 14 0 "[ . 1 . 2]"
1 85 ARG 0.173 0.052 14 0 "[ . 1 . 2]"
1 86 ILE 0.376 0.055 4 0 "[ . 1 . 2]"
1 87 THR 0.161 0.052 14 0 "[ . 1 . 2]"
1 88 GLU 0.040 0.011 17 0 "[ . 1 . 2]"
1 89 LYS 0.302 0.083 9 0 "[ . 1 . 2]"
1 90 LYS 0.122 0.050 12 0 "[ . 1 . 2]"
1 91 ALA 0.092 0.016 15 0 "[ . 1 . 2]"
1 92 PHE 0.257 0.050 12 0 "[ . 1 . 2]"
1 93 ARG 1.214 0.179 15 0 "[ . 1 . 2]"
1 94 GLY 0.146 0.046 10 0 "[ . 1 . 2]"
1 95 LEU 0.455 0.045 20 0 "[ . 1 . 2]"
1 96 THR 0.227 0.033 7 0 "[ . 1 . 2]"
1 97 GLU 0.249 0.045 20 0 "[ . 1 . 2]"
1 98 LEU 0.202 0.025 11 0 "[ . 1 . 2]"
1 99 VAL 0.418 0.073 5 0 "[ . 1 . 2]"
1 100 GLU 0.751 0.068 17 0 "[ . 1 . 2]"
1 101 PHE 1.818 0.159 4 0 "[ . 1 . 2]"
1 102 TYR 2.767 0.159 4 0 "[ . 1 . 2]"
1 103 GLN 2.714 0.139 7 0 "[ . 1 . 2]"
1 104 GLN 0.644 0.059 8 0 "[ . 1 . 2]"
1 105 ASN 1.588 0.139 7 0 "[ . 1 . 2]"
1 106 SER 1.254 0.142 8 0 "[ . 1 . 2]"
1 107 LEU 0.852 0.115 1 0 "[ . 1 . 2]"
1 108 LYS 1.739 0.156 3 0 "[ . 1 . 2]"
1 109 ASP 0.040 0.018 10 0 "[ . 1 . 2]"
1 110 CYS 0.038 0.021 9 0 "[ . 1 . 2]"
1 111 PHE 0.371 0.056 15 0 "[ . 1 . 2]"
1 112 LYS 0.772 0.123 1 0 "[ . 1 . 2]"
1 113 SER 0.167 0.058 9 0 "[ . 1 . 2]"
1 114 LEU 0.123 0.031 14 0 "[ . 1 . 2]"
1 115 ASP 1.811 0.156 3 0 "[ . 1 . 2]"
1 116 THR 0.853 0.093 17 0 "[ . 1 . 2]"
1 117 THR 0.894 0.166 19 0 "[ . 1 . 2]"
1 118 LEU 2.794 0.166 19 0 "[ . 1 . 2]"
1 119 GLN 0.851 0.073 10 0 "[ . 1 . 2]"
1 120 PHE 0.805 0.073 15 0 "[ . 1 . 2]"
1 121 PRO 0.800 0.073 15 0 "[ . 1 . 2]"
1 122 PHE 1.886 0.138 15 0 "[ . 1 . 2]"
1 123 LYS 4.450 0.151 3 0 "[ . 1 . 2]"
1 124 GLU 1.531 0.096 19 0 "[ . 1 . 2]"
1 125 PRO 0.695 0.090 16 0 "[ . 1 . 2]"
1 126 GLU 0.743 0.095 15 0 "[ . 1 . 2]"
1 127 LYS 0.135 0.066 15 0 "[ . 1 . 2]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 THR 0.050 0.050 16 0 "[ . 1 . 2]"
1 130 ILE 0.050 0.050 16 0 "[ . 1 . 2]"
2 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 GLY 0.034 0.009 1 0 "[ . 1 . 2]"
2 6 ASP 0.562 0.484 18 0 "[ . 1 . 2]"
2 7 PTR 0.615 0.484 18 0 "[ . 1 . 2]"
2 8 GLU 0.870 0.198 14 0 "[ . 1 . 2]"
2 9 SER 0.036 0.020 17 0 "[ . 1 . 2]"
2 10 PRO 0.122 0.043 10 0 "[ . 1 . 2]"
2 11 ASN 0.867 0.076 19 0 "[ . 1 . 2]"
2 12 GLU 0.184 0.089 11 0 "[ . 1 . 2]"
2 13 GLU 0.174 0.089 11 0 "[ . 1 . 2]"
2 14 GLU 0.020 0.020 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ALA HA 1 10 GLU H . . 3.190 2.359 2.146 2.835 . 0 0 "[ . 1 . 2]" 1
2 1 10 GLU H 1 10 GLU QG . . 4.330 3.102 1.894 4.237 . 0 0 "[ . 1 . 2]" 1
3 1 10 GLU HA 1 10 GLU QG . . 3.530 2.790 2.251 3.503 . 0 0 "[ . 1 . 2]" 1
4 1 10 GLU HA 1 11 ALA H . . 3.180 2.305 2.139 2.789 . 0 0 "[ . 1 . 2]" 1
5 1 10 GLU QG 1 11 ALA H . . 4.810 3.938 2.323 4.712 . 0 0 "[ . 1 . 2]" 1
6 1 11 ALA H 1 11 ALA MB . . 3.040 2.607 2.189 2.910 . 0 0 "[ . 1 . 2]" 1
7 1 11 ALA HA 1 12 GLU H . . 3.050 2.362 2.143 2.800 . 0 0 "[ . 1 . 2]" 1
8 1 11 ALA MB 1 12 GLU H . . 3.720 2.863 2.097 3.692 . 0 0 "[ . 1 . 2]" 1
9 1 12 GLU H 1 12 GLU QB . . 3.280 2.683 2.219 3.274 . 0 0 "[ . 1 . 2]" 1
10 1 12 GLU H 1 12 GLU QG . . 3.830 3.072 1.886 3.831 0.001 1 0 "[ . 1 . 2]" 1
11 1 12 GLU HA 1 12 GLU QG . . 3.600 2.765 2.239 3.518 . 0 0 "[ . 1 . 2]" 1
12 1 12 GLU HA 1 13 GLN H . . 3.040 2.356 2.146 2.789 . 0 0 "[ . 1 . 2]" 1
13 1 13 GLN H 1 13 GLN QB . . 3.230 2.758 2.225 3.223 . 0 0 "[ . 1 . 2]" 1
14 1 13 GLN H 1 13 GLN QG . . 3.780 2.895 2.052 3.853 0.073 2 0 "[ . 1 . 2]" 1
15 1 14 ASN HA 1 15 TRP H . . 3.220 2.421 2.141 3.204 . 0 0 "[ . 1 . 2]" 1
16 1 14 ASN HA 1 16 TRP HE1 . . 5.340 4.689 3.120 5.246 . 0 0 "[ . 1 . 2]" 1
17 1 14 ASN QB 1 14 ASN QD . . 3.010 2.160 2.066 2.472 . 0 0 "[ . 1 . 2]" 1
18 1 14 ASN QB 1 15 TRP H . . 3.920 3.340 2.285 3.951 0.031 16 0 "[ . 1 . 2]" 1
19 1 14 ASN QB 1 16 TRP H . . 4.650 3.665 2.659 4.614 . 0 0 "[ . 1 . 2]" 1
20 1 14 ASN QB 1 16 TRP HD1 . . 5.340 3.973 2.084 5.251 . 0 0 "[ . 1 . 2]" 1
21 1 14 ASN QB 1 16 TRP HE1 . . 3.990 2.887 1.844 3.987 . 0 0 "[ . 1 . 2]" 1
22 1 14 ASN QB 1 16 TRP HZ2 . . 4.180 3.190 2.377 4.066 . 0 0 "[ . 1 . 2]" 1
23 1 14 ASN HB2 1 15 TRP H . . 4.540 3.801 2.323 4.480 . 0 0 "[ . 1 . 2]" 1
24 1 14 ASN HB2 1 16 TRP H . . 5.500 4.163 3.343 5.371 . 0 0 "[ . 1 . 2]" 1
25 1 14 ASN HB2 1 16 TRP HZ2 . . 4.750 4.136 2.970 4.683 . 0 0 "[ . 1 . 2]" 1
26 1 14 ASN HB3 1 15 TRP H . . 4.540 3.955 2.765 4.562 0.022 16 0 "[ . 1 . 2]" 1
27 1 14 ASN HB3 1 16 TRP H . . 5.500 4.515 2.707 5.381 . 0 0 "[ . 1 . 2]" 1
28 1 14 ASN HB3 1 16 TRP HZ2 . . 4.750 3.408 2.501 4.734 . 0 0 "[ . 1 . 2]" 1
29 1 15 TRP H 1 15 TRP QB . . 3.290 2.544 2.214 2.971 . 0 0 "[ . 1 . 2]" 1
30 1 15 TRP H 1 15 TRP HD1 . . 4.190 3.147 2.168 4.201 0.011 18 0 "[ . 1 . 2]" 1
31 1 15 TRP H 1 16 TRP H . . 4.320 2.866 2.001 4.016 . 0 0 "[ . 1 . 2]" 1
32 1 15 TRP HA 1 15 TRP HD1 . . 4.650 4.049 2.937 4.624 . 0 0 "[ . 1 . 2]" 1
33 1 15 TRP HA 1 15 TRP HE3 . . 4.450 3.647 2.279 4.448 . 0 0 "[ . 1 . 2]" 1
34 1 15 TRP QB 1 15 TRP HD1 . . 3.200 2.688 2.497 2.955 . 0 0 "[ . 1 . 2]" 1
35 1 15 TRP QB 1 15 TRP HE1 . . 4.570 4.456 4.386 4.531 . 0 0 "[ . 1 . 2]" 1
36 1 15 TRP QB 1 15 TRP HE3 . . 3.340 2.526 2.376 2.917 . 0 0 "[ . 1 . 2]" 1
37 1 15 TRP HB2 1 16 TRP H . . 4.620 3.968 2.374 4.591 . 0 0 "[ . 1 . 2]" 1
38 1 15 TRP HB3 1 16 TRP H . . 4.620 4.165 2.943 4.624 0.004 19 0 "[ . 1 . 2]" 1
39 1 16 TRP H 1 16 TRP HB2 . . 3.670 3.610 3.524 3.693 0.023 10 0 "[ . 1 . 2]" 1
40 1 16 TRP H 1 16 TRP QB . . 3.140 2.902 2.529 3.150 0.010 19 0 "[ . 1 . 2]" 1
41 1 16 TRP H 1 16 TRP HB3 . . 3.670 3.076 2.584 3.429 . 0 0 "[ . 1 . 2]" 1
42 1 16 TRP H 1 17 GLU QG . . 5.340 4.638 3.017 5.364 0.024 8 0 "[ . 1 . 2]" 1
43 1 16 TRP HA 1 16 TRP HD1 . . 4.640 4.096 3.835 4.578 . 0 0 "[ . 1 . 2]" 1
44 1 16 TRP HA 1 16 TRP HE3 . . 5.010 4.626 3.970 4.987 . 0 0 "[ . 1 . 2]" 1
45 1 16 TRP HA 1 18 GLY H . . 5.500 4.776 3.737 5.507 0.007 15 0 "[ . 1 . 2]" 1
46 1 16 TRP QB 1 16 TRP HD1 . . 3.330 2.960 2.612 3.147 . 0 0 "[ . 1 . 2]" 1
47 1 16 TRP QB 1 16 TRP HE3 . . 3.380 2.439 2.375 2.555 . 0 0 "[ . 1 . 2]" 1
48 1 16 TRP QB 1 17 GLU H . . 3.760 3.108 1.936 3.691 . 0 0 "[ . 1 . 2]" 1
49 1 16 TRP QB 1 18 GLY H . . 5.130 4.018 2.594 5.134 0.004 19 0 "[ . 1 . 2]" 1
50 1 16 TRP HB2 1 16 TRP HE3 . . 4.130 3.671 3.337 4.119 . 0 0 "[ . 1 . 2]" 1
51 1 16 TRP HB2 1 17 GLU H . . 4.290 3.274 1.946 3.971 . 0 0 "[ . 1 . 2]" 1
52 1 16 TRP HB3 1 16 TRP HE3 . . 4.130 2.481 2.399 2.606 . 0 0 "[ . 1 . 2]" 1
53 1 16 TRP HB3 1 17 GLU H . . 4.290 4.038 3.454 4.387 0.097 6 0 "[ . 1 . 2]" 1
54 1 16 TRP HD1 1 17 GLU HA . . 4.490 3.787 2.998 4.503 0.013 16 0 "[ . 1 . 2]" 1
55 1 16 TRP HD1 1 17 GLU QB . . 5.340 4.752 2.491 5.446 0.106 12 0 "[ . 1 . 2]" 1
56 1 16 TRP HD1 1 17 GLU HG2 . . 5.500 4.693 2.089 5.496 . 0 0 "[ . 1 . 2]" 1
57 1 16 TRP HD1 1 17 GLU QG . . 4.690 4.073 2.080 4.687 . 0 0 "[ . 1 . 2]" 1
58 1 16 TRP HD1 1 17 GLU HG3 . . 5.500 4.765 3.753 5.530 0.030 15 0 "[ . 1 . 2]" 1
59 1 16 TRP HD1 1 18 GLY H . . 5.500 4.425 1.894 5.560 0.060 12 0 "[ . 1 . 2]" 1
60 1 17 GLU H 1 17 GLU QB . . 3.240 2.526 2.188 2.865 . 0 0 "[ . 1 . 2]" 1
61 1 17 GLU H 1 17 GLU HG2 . . 4.720 3.862 1.955 4.660 . 0 0 "[ . 1 . 2]" 1
62 1 17 GLU H 1 17 GLU QG . . 4.140 3.218 1.901 3.892 . 0 0 "[ . 1 . 2]" 1
63 1 17 GLU H 1 17 GLU HG3 . . 4.720 3.660 2.597 4.654 . 0 0 "[ . 1 . 2]" 1
64 1 17 GLU H 1 18 GLY H . . 4.240 3.545 2.623 4.209 . 0 0 "[ . 1 . 2]" 1
65 1 17 GLU H 1 18 GLY QA . . 5.260 4.554 3.872 4.946 . 0 0 "[ . 1 . 2]" 1
66 1 17 GLU HA 1 17 GLU HG2 . . 3.900 2.810 2.152 3.833 . 0 0 "[ . 1 . 2]" 1
67 1 17 GLU HA 1 17 GLU HG3 . . 3.900 3.129 2.465 3.913 0.013 16 0 "[ . 1 . 2]" 1
68 1 17 GLU HA 1 18 GLY H . . 3.270 2.451 2.164 3.490 0.220 16 0 "[ . 1 . 2]" 1
69 1 17 GLU QB 1 18 GLY H . . 4.130 3.829 3.520 4.039 . 0 0 "[ . 1 . 2]" 1
70 1 17 GLU HB2 1 18 GLY H . . 4.780 4.436 3.829 4.617 . 0 0 "[ . 1 . 2]" 1
71 1 17 GLU HB3 1 18 GLY H . . 4.780 4.225 3.820 4.619 . 0 0 "[ . 1 . 2]" 1
72 1 17 GLU QG 1 18 GLY H . . 5.340 4.177 2.342 4.850 . 0 0 "[ . 1 . 2]" 1
73 1 18 GLY H 1 19 PRO QD . . 4.200 2.883 2.084 3.938 . 0 0 "[ . 1 . 2]" 1
74 1 18 GLY QA 1 19 PRO QD . . 2.770 2.034 1.847 2.182 . 0 0 "[ . 1 . 2]" 1
75 1 18 GLY QA 1 19 PRO QG . . 4.090 3.808 3.662 3.978 . 0 0 "[ . 1 . 2]" 1
76 1 18 GLY HA2 1 19 PRO QD . . 3.480 2.114 1.858 3.457 . 0 0 "[ . 1 . 2]" 1
77 1 18 GLY HA3 1 19 PRO QD . . 3.480 3.317 2.206 3.469 . 0 0 "[ . 1 . 2]" 1
78 1 19 PRO HA 1 20 PRO HD2 . . 3.030 2.323 1.926 2.571 . 0 0 "[ . 1 . 2]" 1
79 1 19 PRO HA 1 20 PRO HD3 . . 3.030 2.336 2.266 2.451 . 0 0 "[ . 1 . 2]" 1
80 1 19 PRO QB 1 20 PRO QD . . 3.330 2.400 1.929 3.275 . 0 0 "[ . 1 . 2]" 1
81 1 20 PRO HA 1 21 GLN H . . 3.330 2.596 2.154 3.347 0.017 15 0 "[ . 1 . 2]" 1
82 1 21 GLN H 1 21 GLN QB . . 3.640 2.284 2.136 3.152 . 0 0 "[ . 1 . 2]" 1
83 1 21 GLN H 1 21 GLN QG . . 4.580 3.725 2.486 4.064 . 0 0 "[ . 1 . 2]" 1
84 1 21 GLN HA 1 21 GLN QG . . 3.200 2.486 2.210 3.374 0.174 2 0 "[ . 1 . 2]" 1
85 1 21 GLN QE 1 21 GLN QG . . 3.060 2.159 2.069 2.444 . 0 0 "[ . 1 . 2]" 1
86 1 21 GLN QG 1 25 VAL MG1 . . 4.080 3.127 2.354 3.973 . 0 0 "[ . 1 . 2]" 1
87 1 21 GLN QG 1 25 VAL MG2 . . 4.790 3.488 2.496 4.546 . 0 0 "[ . 1 . 2]" 1
88 1 22 ASP HA 1 23 LEU H . . 2.980 2.307 2.162 2.494 . 0 0 "[ . 1 . 2]" 1
89 1 22 ASP HA 1 23 LEU HA . . 4.890 4.328 4.290 4.477 . 0 0 "[ . 1 . 2]" 1
90 1 22 ASP HA 1 23 LEU HG . . 4.790 4.428 4.011 4.604 . 0 0 "[ . 1 . 2]" 1
91 1 22 ASP HA 1 24 SER H . . 4.130 3.873 3.383 4.143 0.013 14 0 "[ . 1 . 2]" 1
92 1 22 ASP HA 1 25 VAL H . . 5.500 4.987 4.850 5.190 . 0 0 "[ . 1 . 2]" 1
93 1 22 ASP QB 1 23 LEU H . . 4.030 3.075 2.271 3.645 . 0 0 "[ . 1 . 2]" 1
94 1 22 ASP QB 1 23 LEU HB2 . . 5.340 4.439 3.593 5.064 . 0 0 "[ . 1 . 2]" 1
95 1 22 ASP QB 1 25 VAL H . . 4.560 3.722 3.168 4.149 . 0 0 "[ . 1 . 2]" 1
96 1 22 ASP QB 1 25 VAL MG1 . . 4.180 3.770 2.749 4.189 0.009 14 0 "[ . 1 . 2]" 1
97 1 22 ASP QB 1 25 VAL MG2 . . 5.020 4.495 3.917 4.897 . 0 0 "[ . 1 . 2]" 1
98 1 22 ASP HB2 1 24 SER H . . 4.960 3.640 2.304 4.311 . 0 0 "[ . 1 . 2]" 1
99 1 22 ASP HB3 1 24 SER H . . 4.960 2.783 2.329 4.184 . 0 0 "[ . 1 . 2]" 1
100 1 23 LEU H 1 23 LEU HB2 . . 3.280 2.352 2.268 2.463 . 0 0 "[ . 1 . 2]" 1
101 1 23 LEU H 1 23 LEU HB3 . . 3.660 3.569 3.538 3.594 . 0 0 "[ . 1 . 2]" 1
102 1 23 LEU H 1 23 LEU MD2 . . 3.930 3.724 3.477 3.903 . 0 0 "[ . 1 . 2]" 1
103 1 23 LEU H 1 23 LEU HG . . 3.800 2.552 2.274 2.708 . 0 0 "[ . 1 . 2]" 1
104 1 23 LEU H 1 25 VAL H . . 5.040 4.680 4.485 4.768 . 0 0 "[ . 1 . 2]" 1
105 1 23 LEU H 1 26 HIS HD2 . . 4.810 4.708 4.650 4.802 . 0 0 "[ . 1 . 2]" 1
106 1 23 LEU HA 1 23 LEU MD1 . . 4.050 3.845 3.811 3.884 . 0 0 "[ . 1 . 2]" 1
107 1 23 LEU HA 1 23 LEU MD2 . . 2.880 2.096 1.962 2.263 . 0 0 "[ . 1 . 2]" 1
108 1 23 LEU HA 1 23 LEU HG . . 4.030 2.769 2.666 2.965 . 0 0 "[ . 1 . 2]" 1
109 1 23 LEU HA 1 25 VAL H . . 4.410 3.948 3.682 4.202 . 0 0 "[ . 1 . 2]" 1
110 1 23 LEU HA 1 25 VAL MG2 . . 4.360 2.876 2.688 3.225 . 0 0 "[ . 1 . 2]" 1
111 1 23 LEU HA 1 26 HIS H . . 4.580 3.581 3.390 3.758 . 0 0 "[ . 1 . 2]" 1
112 1 23 LEU HA 1 26 HIS HD2 . . 3.230 2.005 1.988 2.044 . 0 0 "[ . 1 . 2]" 1
113 1 23 LEU HB2 1 24 SER H . . 3.690 3.058 2.855 3.196 . 0 0 "[ . 1 . 2]" 1
114 1 23 LEU HB2 1 26 HIS HD2 . . 4.810 4.466 4.124 4.707 . 0 0 "[ . 1 . 2]" 1
115 1 23 LEU HB2 1 29 TYR QD . . 4.000 2.517 2.336 2.732 . 0 0 "[ . 1 . 2]" 1
116 1 23 LEU HB2 1 29 TYR QE . . 3.900 2.574 2.429 2.801 . 0 0 "[ . 1 . 2]" 1
117 1 23 LEU HB3 1 23 LEU MD1 . . 3.240 2.459 2.274 2.618 . 0 0 "[ . 1 . 2]" 1
118 1 23 LEU HB3 1 24 SER H . . 4.040 3.718 3.490 3.885 . 0 0 "[ . 1 . 2]" 1
119 1 23 LEU HB3 1 25 VAL H . . 5.500 5.309 5.090 5.499 . 0 0 "[ . 1 . 2]" 1
120 1 23 LEU HB3 1 25 VAL MG2 . . 5.220 4.693 4.468 5.080 . 0 0 "[ . 1 . 2]" 1
121 1 23 LEU HB3 1 26 HIS HB2 . . 4.740 3.897 3.688 4.218 . 0 0 "[ . 1 . 2]" 1
122 1 23 LEU HB3 1 26 HIS HD2 . . 4.320 3.286 2.776 3.603 . 0 0 "[ . 1 . 2]" 1
123 1 23 LEU HB3 1 29 TYR HB2 . . 4.300 3.383 3.131 3.554 . 0 0 "[ . 1 . 2]" 1
124 1 23 LEU HB3 1 29 TYR HB3 . . 5.100 4.955 4.659 5.122 0.022 13 0 "[ . 1 . 2]" 1
125 1 23 LEU HB3 1 29 TYR QD . . 4.650 2.248 2.090 2.430 . 0 0 "[ . 1 . 2]" 1
126 1 23 LEU HB3 1 29 TYR QE . . 4.920 3.671 3.468 3.892 . 0 0 "[ . 1 . 2]" 1
127 1 23 LEU MD1 1 26 HIS HD2 . . 5.050 4.529 4.218 4.711 . 0 0 "[ . 1 . 2]" 1
128 1 23 LEU MD1 1 28 TRP HH2 . . 5.500 5.196 4.918 5.451 . 0 0 "[ . 1 . 2]" 1
129 1 23 LEU MD1 1 28 TRP HZ3 . . 4.670 3.710 3.247 4.000 . 0 0 "[ . 1 . 2]" 1
130 1 23 LEU MD1 1 29 TYR QD . . 4.280 2.539 2.333 2.683 . 0 0 "[ . 1 . 2]" 1
131 1 23 LEU MD1 1 29 TYR QE . . 3.890 2.401 2.113 2.738 . 0 0 "[ . 1 . 2]" 1
132 1 23 LEU MD1 1 52 VAL HB . . 5.120 3.990 3.664 4.265 . 0 0 "[ . 1 . 2]" 1
133 1 23 LEU MD1 1 52 VAL QG . . 3.820 2.315 2.024 2.609 . 0 0 "[ . 1 . 2]" 1
134 1 23 LEU MD1 1 62 PHE QD . . 4.590 3.364 3.063 3.663 . 0 0 "[ . 1 . 2]" 1
135 1 23 LEU MD1 1 62 PHE QE . . 4.550 2.013 1.865 2.494 . 0 0 "[ . 1 . 2]" 1
136 1 23 LEU MD1 1 95 LEU QD . . 3.060 2.687 2.261 2.901 . 0 0 "[ . 1 . 2]" 1
137 1 23 LEU MD2 1 26 HIS HD2 . . 3.150 1.992 1.893 2.101 . 0 0 "[ . 1 . 2]" 1
138 1 23 LEU MD2 1 26 HIS HE1 . . 5.500 4.877 4.508 5.381 . 0 0 "[ . 1 . 2]" 1
139 1 23 LEU MD2 1 28 TRP HH2 . . 3.690 3.431 3.309 3.470 . 0 0 "[ . 1 . 2]" 1
140 1 23 LEU MD2 1 28 TRP HZ2 . . 5.080 5.088 5.005 5.113 0.033 16 0 "[ . 1 . 2]" 1
141 1 23 LEU MD2 1 28 TRP HZ3 . . 3.780 2.540 2.329 2.804 . 0 0 "[ . 1 . 2]" 1
142 1 23 LEU MD2 1 29 TYR QD . . 4.530 3.813 3.657 3.985 . 0 0 "[ . 1 . 2]" 1
143 1 23 LEU MD2 1 52 VAL QG . . 3.400 2.846 2.473 3.128 . 0 0 "[ . 1 . 2]" 1
144 1 23 LEU MD2 1 95 LEU H . . 5.500 5.491 5.392 5.527 0.027 13 0 "[ . 1 . 2]" 1
145 1 23 LEU MD2 1 95 LEU HB2 . . 4.620 4.508 4.295 4.643 0.023 3 0 "[ . 1 . 2]" 1
146 1 23 LEU MD2 1 95 LEU QD . . 3.430 2.010 1.783 2.450 . 0 0 "[ . 1 . 2]" 1
147 1 23 LEU MD2 1 96 THR H . . 4.950 4.790 4.664 4.920 . 0 0 "[ . 1 . 2]" 1
148 1 23 LEU MD2 1 96 THR HA . . 5.280 4.931 4.703 5.127 . 0 0 "[ . 1 . 2]" 1
149 1 23 LEU HG 1 24 SER H . . 4.840 4.779 4.561 4.864 0.024 3 0 "[ . 1 . 2]" 1
150 1 23 LEU HG 1 26 HIS HD2 . . 5.160 4.106 3.925 4.322 . 0 0 "[ . 1 . 2]" 1
151 1 23 LEU HG 1 29 TYR QE . . 4.410 4.386 4.158 4.425 0.015 2 0 "[ . 1 . 2]" 1
152 1 24 SER H 1 24 SER QB . . 2.980 2.454 2.254 2.697 . 0 0 "[ . 1 . 2]" 1
153 1 24 SER H 1 25 VAL H . . 3.360 2.893 2.742 3.042 . 0 0 "[ . 1 . 2]" 1
154 1 24 SER H 1 25 VAL MG1 . . 4.730 4.307 4.019 4.548 . 0 0 "[ . 1 . 2]" 1
155 1 24 SER H 1 25 VAL MG2 . . 4.360 3.956 3.759 4.198 . 0 0 "[ . 1 . 2]" 1
156 1 24 SER H 1 26 HIS H . . 4.570 4.405 4.164 4.569 . 0 0 "[ . 1 . 2]" 1
157 1 24 SER H 1 29 TYR QD . . 4.310 4.146 3.936 4.318 0.008 15 0 "[ . 1 . 2]" 1
158 1 24 SER HA 1 29 TYR HB2 . . 4.450 2.475 2.227 2.690 . 0 0 "[ . 1 . 2]" 1
159 1 24 SER HA 1 29 TYR HB3 . . 4.240 3.191 3.019 3.379 . 0 0 "[ . 1 . 2]" 1
160 1 24 SER HA 1 29 TYR QD . . 3.500 3.367 3.031 3.523 0.023 9 0 "[ . 1 . 2]" 1
161 1 24 SER QB 1 25 VAL H . . 4.350 2.916 2.410 3.461 . 0 0 "[ . 1 . 2]" 1
162 1 24 SER QB 1 25 VAL MG1 . . 4.390 3.824 3.375 4.342 . 0 0 "[ . 1 . 2]" 1
163 1 24 SER QB 1 26 HIS H . . 5.480 4.768 4.495 5.077 . 0 0 "[ . 1 . 2]" 1
164 1 24 SER QB 1 29 TYR QD . . 4.130 3.720 3.297 4.157 0.027 2 0 "[ . 1 . 2]" 1
165 1 25 VAL H 1 25 VAL HB . . 3.670 3.622 3.609 3.635 . 0 0 "[ . 1 . 2]" 1
166 1 25 VAL H 1 25 VAL MG1 . . 3.010 2.109 1.876 2.425 . 0 0 "[ . 1 . 2]" 1
167 1 25 VAL H 1 25 VAL MG2 . . 2.970 2.215 2.038 2.531 . 0 0 "[ . 1 . 2]" 1
168 1 25 VAL H 1 26 HIS H . . 3.100 2.893 2.673 3.014 . 0 0 "[ . 1 . 2]" 1
169 1 25 VAL H 1 26 HIS HD2 . . 5.050 4.700 4.325 4.975 . 0 0 "[ . 1 . 2]" 1
170 1 25 VAL HA 1 25 VAL HB . . 2.940 2.470 2.386 2.535 . 0 0 "[ . 1 . 2]" 1
171 1 25 VAL HA 1 25 VAL MG1 . . 3.010 2.322 2.125 2.451 . 0 0 "[ . 1 . 2]" 1
172 1 25 VAL HA 1 25 VAL MG2 . . 3.380 3.192 3.177 3.203 . 0 0 "[ . 1 . 2]" 1
173 1 25 VAL HA 1 26 HIS H . . 3.540 3.519 3.408 3.552 0.012 8 0 "[ . 1 . 2]" 1
174 1 25 VAL HB 1 26 HIS H . . 4.540 3.716 3.547 4.119 . 0 0 "[ . 1 . 2]" 1
175 1 25 VAL MG1 1 26 HIS H . . 4.090 3.926 3.767 4.092 0.002 13 0 "[ . 1 . 2]" 1
176 1 25 VAL MG1 1 26 HIS HD2 . . 5.500 5.206 4.929 5.501 0.001 15 0 "[ . 1 . 2]" 1
177 1 25 VAL MG2 1 26 HIS H . . 3.420 1.976 1.829 2.249 . 0 0 "[ . 1 . 2]" 1
178 1 25 VAL MG2 1 26 HIS HA . . 4.230 3.365 3.049 3.684 . 0 0 "[ . 1 . 2]" 1
179 1 25 VAL MG2 1 26 HIS HB3 . . 5.450 4.406 4.254 4.599 . 0 0 "[ . 1 . 2]" 1
180 1 25 VAL MG2 1 26 HIS HD2 . . 4.080 2.842 2.644 3.206 . 0 0 "[ . 1 . 2]" 1
181 1 25 VAL MG2 1 26 HIS HE1 . . 4.360 3.922 3.680 4.155 . 0 0 "[ . 1 . 2]" 1
182 1 26 HIS H 1 26 HIS HB2 . . 3.090 2.477 2.350 2.544 . 0 0 "[ . 1 . 2]" 1
183 1 26 HIS H 1 26 HIS HB3 . . 3.710 3.600 3.579 3.633 . 0 0 "[ . 1 . 2]" 1
184 1 26 HIS H 1 26 HIS HD2 . . 3.550 2.977 2.768 3.397 . 0 0 "[ . 1 . 2]" 1
185 1 26 HIS H 1 27 LEU H . . 4.660 4.621 4.573 4.639 . 0 0 "[ . 1 . 2]" 1
186 1 26 HIS H 1 29 TYR HB2 . . 4.790 4.592 4.280 4.804 0.014 19 0 "[ . 1 . 2]" 1
187 1 26 HIS HA 1 27 LEU QD . . 5.250 4.739 4.668 4.825 . 0 0 "[ . 1 . 2]" 1
188 1 26 HIS HA 1 28 TRP H . . 4.020 3.755 3.715 3.816 . 0 0 "[ . 1 . 2]" 1
189 1 26 HIS HA 1 28 TRP HE1 . . 5.500 5.523 5.485 5.564 0.064 7 0 "[ . 1 . 2]" 1
190 1 26 HIS HB2 1 28 TRP H . . 3.430 2.884 2.760 3.132 . 0 0 "[ . 1 . 2]" 1
191 1 26 HIS HB2 1 28 TRP HE1 . . 5.500 5.409 5.267 5.512 0.012 9 0 "[ . 1 . 2]" 1
192 1 26 HIS HB2 1 28 TRP HE3 . . 4.430 4.120 4.012 4.304 . 0 0 "[ . 1 . 2]" 1
193 1 26 HIS HB2 1 28 TRP HZ2 . . 5.500 5.128 5.016 5.188 . 0 0 "[ . 1 . 2]" 1
194 1 26 HIS HB2 1 28 TRP HZ3 . . 5.050 4.542 4.422 4.670 . 0 0 "[ . 1 . 2]" 1
195 1 26 HIS HB2 1 29 TYR HB2 . . 4.290 3.986 3.924 4.012 . 0 0 "[ . 1 . 2]" 1
196 1 26 HIS HB2 1 29 TYR HB3 . . 5.500 5.538 5.507 5.568 0.068 19 0 "[ . 1 . 2]" 1
197 1 26 HIS HB2 1 29 TYR QD . . 5.500 5.150 4.981 5.404 . 0 0 "[ . 1 . 2]" 1
198 1 26 HIS HB3 1 27 LEU H . . 4.680 2.763 2.589 2.908 . 0 0 "[ . 1 . 2]" 1
199 1 26 HIS HB3 1 28 TRP H . . 3.450 2.493 2.348 2.567 . 0 0 "[ . 1 . 2]" 1
200 1 26 HIS HB3 1 28 TRP HD1 . . 4.450 4.371 4.279 4.427 . 0 0 "[ . 1 . 2]" 1
201 1 26 HIS HB3 1 28 TRP HE1 . . 4.100 3.823 3.722 3.891 . 0 0 "[ . 1 . 2]" 1
202 1 26 HIS HB3 1 29 TYR HB2 . . 5.500 5.463 5.190 5.545 0.045 16 0 "[ . 1 . 2]" 1
203 1 26 HIS HD2 1 29 TYR QD . . 5.500 5.364 5.039 5.549 0.049 16 0 "[ . 1 . 2]" 1
204 1 26 HIS HE1 1 28 TRP HZ2 . . 4.930 4.811 4.499 4.940 0.010 5 0 "[ . 1 . 2]" 1
205 1 26 HIS HE1 1 96 THR MG . . 3.570 2.028 1.860 2.245 . 0 0 "[ . 1 . 2]" 1
206 1 27 LEU H 1 27 LEU MD1 . . 5.110 3.701 3.540 3.814 . 0 0 "[ . 1 . 2]" 1
207 1 27 LEU H 1 27 LEU QD . . 4.380 3.401 3.320 3.485 . 0 0 "[ . 1 . 2]" 1
208 1 27 LEU H 1 27 LEU MD2 . . 5.110 3.978 3.810 4.106 . 0 0 "[ . 1 . 2]" 1
209 1 27 LEU H 1 27 LEU HG . . 4.640 3.402 2.756 4.618 . 0 0 "[ . 1 . 2]" 1
210 1 27 LEU H 1 28 TRP H . . 4.120 2.671 2.604 2.715 . 0 0 "[ . 1 . 2]" 1
211 1 27 LEU HA 1 27 LEU MD1 . . 4.230 3.347 1.939 3.829 . 0 0 "[ . 1 . 2]" 1
212 1 27 LEU HA 1 27 LEU QD . . 2.820 1.950 1.932 1.989 . 0 0 "[ . 1 . 2]" 1
213 1 27 LEU HA 1 27 LEU MD2 . . 4.230 2.403 1.937 3.750 . 0 0 "[ . 1 . 2]" 1
214 1 27 LEU HA 1 27 LEU HG . . 3.880 2.794 2.680 3.020 . 0 0 "[ . 1 . 2]" 1
215 1 27 LEU HA 1 123 LYS H . . 4.950 4.697 4.074 4.993 0.043 10 0 "[ . 1 . 2]" 1
216 1 27 LEU HA 1 123 LYS HB2 . . 4.640 3.170 2.480 3.525 . 0 0 "[ . 1 . 2]" 1
217 1 27 LEU HA 1 123 LYS QB . . 3.800 3.091 2.435 3.428 . 0 0 "[ . 1 . 2]" 1
218 1 27 LEU HA 1 123 LYS HB3 . . 4.640 4.297 3.534 4.685 0.045 3 0 "[ . 1 . 2]" 1
219 1 27 LEU HA 1 123 LYS QD . . 3.620 3.087 2.590 3.691 0.071 17 0 "[ . 1 . 2]" 1
220 1 27 LEU HA 1 123 LYS QE . . 5.100 4.775 4.207 5.143 0.043 16 0 "[ . 1 . 2]" 1
221 1 27 LEU HA 1 123 LYS QG . . 4.430 3.276 2.098 3.826 . 0 0 "[ . 1 . 2]" 1
222 1 27 LEU HB2 1 27 LEU MD1 . . 3.490 2.352 2.221 2.440 . 0 0 "[ . 1 . 2]" 1
223 1 27 LEU HB2 1 27 LEU MD2 . . 3.490 2.951 2.209 3.194 . 0 0 "[ . 1 . 2]" 1
224 1 27 LEU HB2 1 121 PRO HG2 . . 5.300 4.671 4.029 5.312 0.012 9 0 "[ . 1 . 2]" 1
225 1 27 LEU HB3 1 27 LEU QD . . 3.010 2.180 2.090 2.405 . 0 0 "[ . 1 . 2]" 1
226 1 27 LEU HB3 1 28 TRP H . . 4.100 3.782 3.343 4.066 . 0 0 "[ . 1 . 2]" 1
227 1 27 LEU HB3 1 28 TRP HD1 . . 4.960 3.476 2.810 3.935 . 0 0 "[ . 1 . 2]" 1
228 1 27 LEU HB3 1 121 PRO HG2 . . 4.290 3.222 2.505 3.811 . 0 0 "[ . 1 . 2]" 1
229 1 27 LEU HB3 1 121 PRO HG3 . . 3.970 2.609 2.098 2.866 . 0 0 "[ . 1 . 2]" 1
230 1 27 LEU HB3 1 123 LYS H . . 4.960 4.264 3.856 5.021 0.061 10 0 "[ . 1 . 2]" 1
231 1 27 LEU HB3 1 124 GLU QG . . 5.500 4.570 3.790 5.523 0.023 19 0 "[ . 1 . 2]" 1
232 1 27 LEU QD 1 28 TRP H . . 4.640 4.381 4.330 4.430 . 0 0 "[ . 1 . 2]" 1
233 1 27 LEU QD 1 121 PRO HD2 . . 5.060 4.318 3.847 4.677 . 0 0 "[ . 1 . 2]" 1
234 1 27 LEU QD 1 121 PRO HD3 . . 5.440 4.294 3.943 4.643 . 0 0 "[ . 1 . 2]" 1
235 1 27 LEU QD 1 121 PRO HG2 . . 3.860 3.339 2.934 3.682 . 0 0 "[ . 1 . 2]" 1
236 1 27 LEU QD 1 121 PRO HG3 . . 4.310 2.727 2.367 3.054 . 0 0 "[ . 1 . 2]" 1
237 1 27 LEU QD 1 123 LYS H . . 4.500 4.213 3.809 4.524 0.024 10 0 "[ . 1 . 2]" 1
238 1 27 LEU QD 1 123 LYS QB . . 3.040 2.314 1.828 2.578 . 0 0 "[ . 1 . 2]" 1
239 1 27 LEU QD 1 123 LYS QE . . 4.550 4.449 4.067 4.648 0.098 16 0 "[ . 1 . 2]" 1
240 1 27 LEU QD 1 123 LYS QG . . 4.420 3.457 2.732 3.753 . 0 0 "[ . 1 . 2]" 1
241 1 27 LEU QD 1 124 GLU HA . . 4.730 4.334 3.925 4.616 . 0 0 "[ . 1 . 2]" 1
242 1 27 LEU QD 1 124 GLU QB . . 5.070 3.604 2.205 4.132 . 0 0 "[ . 1 . 2]" 1
243 1 27 LEU QD 1 124 GLU QG . . 3.400 2.322 1.916 3.428 0.028 19 0 "[ . 1 . 2]" 1
244 1 27 LEU QD 1 125 PRO HA . . 4.510 3.418 2.890 3.831 . 0 0 "[ . 1 . 2]" 1
245 1 27 LEU QD 1 125 PRO QB . . 5.280 4.611 4.261 4.904 . 0 0 "[ . 1 . 2]" 1
246 1 27 LEU QD 1 125 PRO QD . . 4.590 4.488 4.245 4.590 . 0 0 "[ . 1 . 2]" 1
247 1 27 LEU QD 1 125 PRO QG . . 5.120 5.061 4.846 5.210 0.090 16 0 "[ . 1 . 2]" 1
248 1 27 LEU QD 1 126 GLU HA . . 4.410 3.701 2.831 4.343 . 0 0 "[ . 1 . 2]" 1
249 1 27 LEU MD1 1 121 PRO HG2 . . 4.850 3.905 3.292 4.580 . 0 0 "[ . 1 . 2]" 1
250 1 27 LEU MD1 1 123 LYS H . . 5.500 5.343 4.616 5.640 0.140 15 0 "[ . 1 . 2]" 1
251 1 27 LEU MD1 1 124 GLU H . . 4.230 3.763 3.471 3.954 . 0 0 "[ . 1 . 2]" 1
252 1 27 LEU MD2 1 121 PRO HG2 . . 4.850 3.748 3.207 4.429 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU MD2 1 123 LYS H . . 5.500 4.575 3.885 5.515 0.015 10 0 "[ . 1 . 2]" 1
254 1 27 LEU MD2 1 124 GLU H . . 4.230 3.016 2.165 3.756 . 0 0 "[ . 1 . 2]" 1
255 1 27 LEU HG 1 28 TRP H . . 5.500 5.020 4.912 5.111 . 0 0 "[ . 1 . 2]" 1
256 1 28 TRP H 1 28 TRP HB2 . . 3.870 3.734 3.681 3.767 . 0 0 "[ . 1 . 2]" 1
257 1 28 TRP H 1 28 TRP HB3 . . 3.770 3.443 3.373 3.547 . 0 0 "[ . 1 . 2]" 1
258 1 28 TRP H 1 28 TRP HD1 . . 3.680 3.425 3.352 3.570 . 0 0 "[ . 1 . 2]" 1
259 1 28 TRP H 1 28 TRP HE1 . . 4.610 4.458 4.373 4.572 . 0 0 "[ . 1 . 2]" 1
260 1 28 TRP H 1 29 TYR HA . . 5.360 4.980 4.927 5.040 . 0 0 "[ . 1 . 2]" 1
261 1 28 TRP H 1 29 TYR HB2 . . 4.640 4.593 4.430 4.671 0.031 8 0 "[ . 1 . 2]" 1
262 1 28 TRP H 1 29 TYR HB3 . . 5.430 5.412 5.277 5.479 0.049 3 0 "[ . 1 . 2]" 1
263 1 28 TRP H 1 99 VAL QG . . 5.440 5.303 4.991 5.445 0.005 18 0 "[ . 1 . 2]" 1
264 1 28 TRP H 1 121 PRO HB3 . . 4.870 4.555 4.240 4.747 . 0 0 "[ . 1 . 2]" 1
265 1 28 TRP H 1 121 PRO HG3 . . 5.500 5.455 5.119 5.552 0.052 12 0 "[ . 1 . 2]" 1
266 1 28 TRP HB2 1 28 TRP HD1 . . 3.870 3.767 3.759 3.775 . 0 0 "[ . 1 . 2]" 1
267 1 28 TRP HB2 1 28 TRP HE3 . . 3.970 2.667 2.653 2.682 . 0 0 "[ . 1 . 2]" 1
268 1 28 TRP HB2 1 29 TYR H . . 4.530 3.340 3.303 3.396 . 0 0 "[ . 1 . 2]" 1
269 1 28 TRP HB2 1 50 PHE QD . . 5.010 4.356 4.142 4.711 . 0 0 "[ . 1 . 2]" 1
270 1 28 TRP HB2 1 50 PHE QE . . 4.120 3.710 3.492 4.042 . 0 0 "[ . 1 . 2]" 1
271 1 28 TRP HB2 1 50 PHE HZ . . 4.960 4.890 4.538 4.972 0.012 6 0 "[ . 1 . 2]" 1
272 1 28 TRP HB2 1 51 LEU HA . . 4.450 2.429 2.192 2.674 . 0 0 "[ . 1 . 2]" 1
273 1 28 TRP HB2 1 52 VAL H . . 4.350 3.281 3.047 3.563 . 0 0 "[ . 1 . 2]" 1
274 1 28 TRP HB2 1 52 VAL QG . . 3.880 3.757 3.475 3.895 0.015 13 0 "[ . 1 . 2]" 1
275 1 28 TRP HB2 1 99 VAL QG . . 4.750 4.355 3.885 4.572 . 0 0 "[ . 1 . 2]" 1
276 1 28 TRP HB2 1 121 PRO HB2 . . 4.160 3.798 3.665 4.187 0.027 15 0 "[ . 1 . 2]" 1
277 1 28 TRP HB3 1 28 TRP HD1 . . 3.640 2.612 2.605 2.619 . 0 0 "[ . 1 . 2]" 1
278 1 28 TRP HB3 1 50 PHE QE . . 4.380 3.707 3.359 4.058 . 0 0 "[ . 1 . 2]" 1
279 1 28 TRP HB3 1 50 PHE HZ . . 4.390 3.988 3.627 4.179 . 0 0 "[ . 1 . 2]" 1
280 1 28 TRP HB3 1 51 LEU HA . . 4.660 3.417 3.050 3.754 . 0 0 "[ . 1 . 2]" 1
281 1 28 TRP HB3 1 121 PRO HA . . 3.840 2.871 2.677 2.961 . 0 0 "[ . 1 . 2]" 1
282 1 28 TRP HB3 1 121 PRO HB2 . . 3.980 2.102 1.976 2.480 . 0 0 "[ . 1 . 2]" 1
283 1 28 TRP HB3 1 122 PHE H . . 4.470 2.099 1.941 2.424 . 0 0 "[ . 1 . 2]" 1
284 1 28 TRP HD1 1 50 PHE QE . . 4.800 3.486 3.159 3.787 . 0 0 "[ . 1 . 2]" 1
285 1 28 TRP HD1 1 50 PHE HZ . . 3.750 2.731 2.382 3.007 . 0 0 "[ . 1 . 2]" 1
286 1 28 TRP HD1 1 99 VAL QG . . 3.960 3.647 3.404 3.797 . 0 0 "[ . 1 . 2]" 1
287 1 28 TRP HD1 1 121 PRO HB2 . . 3.930 3.099 2.972 3.241 . 0 0 "[ . 1 . 2]" 1
288 1 28 TRP HD1 1 121 PRO HB3 . . 4.330 1.973 1.927 2.073 . 0 0 "[ . 1 . 2]" 1
289 1 28 TRP HD1 1 121 PRO HG2 . . 4.700 4.505 4.376 4.749 0.049 15 0 "[ . 1 . 2]" 1
290 1 28 TRP HD1 1 121 PRO HG3 . . 3.830 3.356 3.146 3.734 . 0 0 "[ . 1 . 2]" 1
291 1 28 TRP HE1 1 96 THR HA . . 5.500 5.130 4.972 5.373 . 0 0 "[ . 1 . 2]" 1
292 1 28 TRP HE1 1 96 THR MG . . 4.650 4.458 4.314 4.654 0.004 20 0 "[ . 1 . 2]" 1
293 1 28 TRP HE1 1 99 VAL HB . . 4.930 3.793 3.473 4.347 . 0 0 "[ . 1 . 2]" 1
294 1 28 TRP HE1 1 99 VAL QG . . 3.590 2.479 2.208 2.654 . 0 0 "[ . 1 . 2]" 1
295 1 28 TRP HE1 1 100 GLU QG . . 4.160 3.370 2.693 3.862 . 0 0 "[ . 1 . 2]" 1
296 1 28 TRP HE1 1 121 PRO HB3 . . 5.500 4.405 4.347 4.505 . 0 0 "[ . 1 . 2]" 1
297 1 28 TRP HE3 1 29 TYR HA . . 4.130 3.122 2.988 3.276 . 0 0 "[ . 1 . 2]" 1
298 1 28 TRP HE3 1 29 TYR QD . . 4.800 4.679 4.580 4.740 . 0 0 "[ . 1 . 2]" 1
299 1 28 TRP HE3 1 50 PHE QE . . 5.440 4.610 4.364 4.935 . 0 0 "[ . 1 . 2]" 1
300 1 28 TRP HE3 1 52 VAL H . . 3.800 3.239 3.082 3.421 . 0 0 "[ . 1 . 2]" 1
301 1 28 TRP HE3 1 52 VAL HA . . 4.960 4.591 4.521 4.683 . 0 0 "[ . 1 . 2]" 1
302 1 28 TRP HE3 1 52 VAL HB . . 3.500 1.951 1.914 1.980 . 0 0 "[ . 1 . 2]" 1
303 1 28 TRP HE3 1 52 VAL MG1 . . 3.660 3.471 3.396 3.552 . 0 0 "[ . 1 . 2]" 1
304 1 28 TRP HE3 1 52 VAL QG . . 3.100 2.400 2.276 2.504 . 0 0 "[ . 1 . 2]" 1
305 1 28 TRP HE3 1 52 VAL MG2 . . 3.660 2.448 2.312 2.565 . 0 0 "[ . 1 . 2]" 1
306 1 28 TRP HE3 1 95 LEU QD . . 4.750 4.199 3.895 4.521 . 0 0 "[ . 1 . 2]" 1
307 1 28 TRP HE3 1 99 VAL QG . . 4.350 3.942 3.535 4.136 . 0 0 "[ . 1 . 2]" 1
308 1 28 TRP HH2 1 95 LEU HB2 . . 5.500 5.056 4.819 5.322 . 0 0 "[ . 1 . 2]" 1
309 1 28 TRP HH2 1 95 LEU HB3 . . 4.680 3.961 3.573 4.226 . 0 0 "[ . 1 . 2]" 1
310 1 28 TRP HH2 1 95 LEU QD . . 3.990 2.734 2.314 3.059 . 0 0 "[ . 1 . 2]" 1
311 1 28 TRP HH2 1 95 LEU HG . . 3.890 2.274 2.004 2.538 . 0 0 "[ . 1 . 2]" 1
312 1 28 TRP HH2 1 96 THR H . . 4.420 4.024 3.794 4.207 . 0 0 "[ . 1 . 2]" 1
313 1 28 TRP HH2 1 96 THR HA . . 3.690 2.580 2.245 2.792 . 0 0 "[ . 1 . 2]" 1
314 1 28 TRP HH2 1 96 THR MG . . 4.700 4.073 3.822 4.329 . 0 0 "[ . 1 . 2]" 1
315 1 28 TRP HH2 1 99 VAL HB . . 4.790 3.599 3.280 3.885 . 0 0 "[ . 1 . 2]" 1
316 1 28 TRP HH2 1 99 VAL QG . . 4.160 2.683 2.363 2.934 . 0 0 "[ . 1 . 2]" 1
317 1 28 TRP HZ2 1 52 VAL QG . . 5.270 4.277 4.103 4.509 . 0 0 "[ . 1 . 2]" 1
318 1 28 TRP HZ2 1 95 LEU HG . . 5.500 4.350 4.071 4.673 . 0 0 "[ . 1 . 2]" 1
319 1 28 TRP HZ2 1 96 THR HA . . 3.330 2.433 2.326 2.702 . 0 0 "[ . 1 . 2]" 1
320 1 28 TRP HZ2 1 96 THR HB . . 5.150 5.157 5.104 5.183 0.033 7 0 "[ . 1 . 2]" 1
321 1 28 TRP HZ2 1 96 THR MG . . 3.490 2.982 2.748 3.195 . 0 0 "[ . 1 . 2]" 1
322 1 28 TRP HZ2 1 99 VAL H . . 5.430 4.317 4.051 4.726 . 0 0 "[ . 1 . 2]" 1
323 1 28 TRP HZ2 1 99 VAL HB . . 3.730 2.331 2.099 2.578 . 0 0 "[ . 1 . 2]" 1
324 1 28 TRP HZ2 1 99 VAL MG1 . . 4.230 2.849 2.393 3.047 . 0 0 "[ . 1 . 2]" 1
325 1 28 TRP HZ2 1 99 VAL MG2 . . 4.230 3.043 2.740 3.491 . 0 0 "[ . 1 . 2]" 1
326 1 28 TRP HZ2 1 100 GLU H . . 4.820 3.949 3.301 4.242 . 0 0 "[ . 1 . 2]" 1
327 1 28 TRP HZ3 1 29 TYR QD . . 5.160 5.077 4.825 5.175 0.015 9 0 "[ . 1 . 2]" 1
328 1 28 TRP HZ3 1 52 VAL HB . . 3.990 2.553 2.344 2.915 . 0 0 "[ . 1 . 2]" 1
329 1 28 TRP HZ3 1 52 VAL MG1 . . 3.240 2.507 2.335 2.741 . 0 0 "[ . 1 . 2]" 1
330 1 28 TRP HZ3 1 52 VAL MG2 . . 3.240 2.190 1.902 2.461 . 0 0 "[ . 1 . 2]" 1
331 1 28 TRP HZ3 1 95 LEU QD . . 3.230 2.217 1.947 2.630 . 0 0 "[ . 1 . 2]" 1
332 1 28 TRP HZ3 1 95 LEU HG . . 4.070 3.375 3.132 3.546 . 0 0 "[ . 1 . 2]" 1
333 1 28 TRP HZ3 1 99 VAL QG . . 3.940 3.444 3.196 3.695 . 0 0 "[ . 1 . 2]" 1
334 1 29 TYR H 1 29 TYR HB2 . . 3.650 3.407 3.383 3.427 . 0 0 "[ . 1 . 2]" 1
335 1 29 TYR H 1 29 TYR HB3 . . 3.240 2.849 2.827 2.892 . 0 0 "[ . 1 . 2]" 1
336 1 29 TYR H 1 29 TYR QD . . 4.460 4.423 4.410 4.449 . 0 0 "[ . 1 . 2]" 1
337 1 29 TYR H 1 30 ALA H . . 4.570 4.329 4.253 4.370 . 0 0 "[ . 1 . 2]" 1
338 1 29 TYR H 1 30 ALA MB . . 4.420 4.286 4.144 4.372 . 0 0 "[ . 1 . 2]" 1
339 1 29 TYR HA 1 29 TYR QD . . 3.400 2.270 2.164 2.333 . 0 0 "[ . 1 . 2]" 1
340 1 29 TYR HA 1 30 ALA H . . 3.090 2.247 2.186 2.301 . 0 0 "[ . 1 . 2]" 1
341 1 29 TYR HA 1 30 ALA MB . . 4.670 3.796 3.762 3.862 . 0 0 "[ . 1 . 2]" 1
342 1 29 TYR HA 1 52 VAL HB . . 4.070 3.277 3.197 3.350 . 0 0 "[ . 1 . 2]" 1
343 1 29 TYR HA 1 52 VAL MG1 . . 4.750 3.724 3.673 3.768 . 0 0 "[ . 1 . 2]" 1
344 1 29 TYR HA 1 52 VAL QG . . 3.540 3.589 3.543 3.633 0.093 13 0 "[ . 1 . 2]" 1
345 1 29 TYR HA 1 52 VAL MG2 . . 4.750 4.702 4.625 4.775 0.025 11 0 "[ . 1 . 2]" 1
346 1 29 TYR HB2 1 30 ALA H . . 4.800 3.952 3.871 4.060 . 0 0 "[ . 1 . 2]" 1
347 1 29 TYR HB2 1 52 VAL QG . . 5.250 5.189 5.157 5.214 . 0 0 "[ . 1 . 2]" 1
348 1 29 TYR HB3 1 30 ALA H . . 4.730 3.973 3.851 4.127 . 0 0 "[ . 1 . 2]" 1
349 1 29 TYR QD 1 30 ALA H . . 3.530 2.321 2.044 2.535 . 0 0 "[ . 1 . 2]" 1
350 1 29 TYR QD 1 31 GLY HA3 . . 5.500 5.538 5.479 5.600 0.100 14 0 "[ . 1 . 2]" 1
351 1 29 TYR QD 1 52 VAL HB . . 4.650 4.394 4.310 4.459 . 0 0 "[ . 1 . 2]" 1
352 1 29 TYR QD 1 52 VAL QG . . 3.560 3.586 3.540 3.632 0.072 20 0 "[ . 1 . 2]" 1
353 1 29 TYR QD 1 62 PHE QE . . 4.910 4.839 4.621 4.917 0.007 20 0 "[ . 1 . 2]" 1
354 1 29 TYR QE 1 30 ALA H . . 4.770 3.528 3.353 3.685 . 0 0 "[ . 1 . 2]" 1
355 1 29 TYR QE 1 31 GLY H . . 4.120 4.108 4.057 4.166 0.046 16 0 "[ . 1 . 2]" 1
356 1 29 TYR QE 1 31 GLY HA2 . . 4.250 3.575 3.341 3.775 . 0 0 "[ . 1 . 2]" 1
357 1 29 TYR QE 1 31 GLY HA3 . . 4.310 4.301 4.222 4.365 0.055 14 0 "[ . 1 . 2]" 1
358 1 29 TYR QE 1 32 PRO QD . . 5.350 4.995 4.939 5.087 . 0 0 "[ . 1 . 2]" 1
359 1 29 TYR QE 1 52 VAL QG . . 4.500 4.437 4.334 4.543 0.043 16 0 "[ . 1 . 2]" 1
360 1 29 TYR QE 1 54 GLN HB2 . . 5.310 5.168 4.827 5.344 0.034 12 0 "[ . 1 . 2]" 1
361 1 29 TYR QE 1 62 PHE QE . . 4.080 4.035 3.919 4.098 0.018 5 0 "[ . 1 . 2]" 1
362 1 30 ALA H 1 30 ALA MB . . 3.240 2.718 2.672 2.753 . 0 0 "[ . 1 . 2]" 1
363 1 30 ALA H 1 31 GLY H . . 4.790 3.895 3.866 3.920 . 0 0 "[ . 1 . 2]" 1
364 1 30 ALA H 1 31 GLY HA2 . . 4.710 4.453 4.424 4.486 . 0 0 "[ . 1 . 2]" 1
365 1 30 ALA H 1 31 GLY HA3 . . 5.500 5.406 5.344 5.461 . 0 0 "[ . 1 . 2]" 1
366 1 30 ALA H 1 33 MET ME . . 5.380 5.308 4.956 5.444 0.064 12 0 "[ . 1 . 2]" 1
367 1 30 ALA H 1 52 VAL QG . . 3.610 3.409 3.144 3.625 0.015 19 0 "[ . 1 . 2]" 1
368 1 30 ALA H 1 53 ARG H . . 5.500 5.589 5.526 5.618 0.118 1 0 "[ . 1 . 2]" 1
369 1 30 ALA H 1 53 ARG HA . . 4.590 3.972 3.785 4.181 . 0 0 "[ . 1 . 2]" 1
370 1 30 ALA MB 1 33 MET H . . 4.960 4.537 4.371 4.737 . 0 0 "[ . 1 . 2]" 1
371 1 30 ALA MB 1 33 MET QB . . 4.020 3.346 3.141 3.615 . 0 0 "[ . 1 . 2]" 1
372 1 30 ALA MB 1 33 MET QG . . 4.870 4.698 4.171 4.938 0.068 13 0 "[ . 1 . 2]" 1
373 1 30 ALA MB 1 53 ARG H . . 3.780 3.427 3.219 3.579 . 0 0 "[ . 1 . 2]" 1
374 1 30 ALA MB 1 53 ARG HA . . 3.050 1.950 1.905 2.084 . 0 0 "[ . 1 . 2]" 1
375 1 31 GLY H 1 32 PRO HD2 . . 5.130 4.054 3.886 4.159 . 0 0 "[ . 1 . 2]" 1
376 1 31 GLY H 1 32 PRO QD . . 4.470 3.873 3.734 3.959 . 0 0 "[ . 1 . 2]" 1
377 1 31 GLY H 1 32 PRO HD3 . . 5.130 4.917 4.832 4.971 . 0 0 "[ . 1 . 2]" 1
378 1 31 GLY HA2 1 32 PRO HD2 . . 3.500 3.246 3.170 3.343 . 0 0 "[ . 1 . 2]" 1
379 1 31 GLY HA2 1 32 PRO HD3 . . 3.500 2.968 2.882 3.082 . 0 0 "[ . 1 . 2]" 1
380 1 31 GLY HA2 1 32 PRO HG2 . . 5.500 5.239 5.171 5.327 . 0 0 "[ . 1 . 2]" 1
381 1 31 GLY HA2 1 32 PRO HG3 . . 5.500 5.189 5.108 5.297 . 0 0 "[ . 1 . 2]" 1
382 1 31 GLY HA3 1 32 PRO HD2 . . 4.030 1.952 1.921 1.983 . 0 0 "[ . 1 . 2]" 1
383 1 31 GLY HA3 1 32 PRO QD . . 3.430 1.906 1.870 1.940 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLY HA3 1 32 PRO HD3 . . 4.030 2.672 2.569 2.751 . 0 0 "[ . 1 . 2]" 1
385 1 32 PRO HA 1 53 ARG HA . . 5.500 5.347 5.136 5.505 0.005 12 0 "[ . 1 . 2]" 1
386 1 32 PRO HA 1 54 GLN H . . 4.180 3.518 3.141 3.905 . 0 0 "[ . 1 . 2]" 1
387 1 32 PRO HA 1 54 GLN HB3 . . 3.740 3.470 3.112 3.769 0.029 13 0 "[ . 1 . 2]" 1
388 1 32 PRO HA 1 54 GLN HG2 . . 5.240 4.994 4.544 5.249 0.009 12 0 "[ . 1 . 2]" 1
389 1 32 PRO HA 1 56 VAL QG . . 4.360 3.826 3.189 4.397 0.037 13 0 "[ . 1 . 2]" 1
390 1 32 PRO QB 1 56 VAL QG . . 3.500 2.900 2.293 3.475 . 0 0 "[ . 1 . 2]" 1
391 1 33 MET H 1 33 MET QB . . 3.550 2.229 2.148 2.304 . 0 0 "[ . 1 . 2]" 1
392 1 33 MET H 1 34 GLU H . . 4.970 4.590 4.454 4.640 . 0 0 "[ . 1 . 2]" 1
393 1 33 MET HA 1 33 MET HG2 . . 3.700 3.243 2.739 3.610 . 0 0 "[ . 1 . 2]" 1
394 1 33 MET HA 1 33 MET HG3 . . 3.700 2.456 2.182 2.784 . 0 0 "[ . 1 . 2]" 1
395 1 33 MET HA 1 34 GLU H . . 3.050 2.219 2.142 2.302 . 0 0 "[ . 1 . 2]" 1
396 1 33 MET HA 1 34 GLU HG2 . . 4.760 4.080 3.818 4.694 . 0 0 "[ . 1 . 2]" 1
397 1 33 MET QB 1 33 MET ME . . 2.730 1.877 1.771 2.138 . 0 0 "[ . 1 . 2]" 1
398 1 33 MET QB 1 34 GLU H . . 3.970 3.557 3.367 3.761 . 0 0 "[ . 1 . 2]" 1
399 1 33 MET QB 1 37 GLY HA3 . . 4.850 4.026 3.823 4.262 . 0 0 "[ . 1 . 2]" 1
400 1 33 MET QB 1 51 LEU QD . . 4.520 4.152 3.748 4.512 . 0 0 "[ . 1 . 2]" 1
401 1 33 MET QB 1 53 ARG QD . . 4.290 3.403 2.520 4.302 0.012 12 0 "[ . 1 . 2]" 1
402 1 33 MET HB2 1 33 MET ME . . 3.210 2.206 1.867 2.922 . 0 0 "[ . 1 . 2]" 1
403 1 33 MET HB3 1 33 MET ME . . 3.210 2.206 1.894 3.139 . 0 0 "[ . 1 . 2]" 1
404 1 33 MET ME 1 33 MET HG2 . . 3.400 2.810 2.358 3.394 . 0 0 "[ . 1 . 2]" 1
405 1 33 MET ME 1 33 MET QG . . 2.860 2.574 2.316 2.721 . 0 0 "[ . 1 . 2]" 1
406 1 33 MET ME 1 33 MET HG3 . . 3.400 3.228 2.597 3.394 . 0 0 "[ . 1 . 2]" 1
407 1 33 MET ME 1 37 GLY HA3 . . 4.740 4.263 3.839 4.744 0.004 4 0 "[ . 1 . 2]" 1
408 1 33 MET ME 1 38 ALA H . . 5.190 4.313 3.578 5.230 0.040 4 0 "[ . 1 . 2]" 1
409 1 33 MET ME 1 38 ALA HA . . 3.810 2.910 2.011 3.802 . 0 0 "[ . 1 . 2]" 1
410 1 33 MET ME 1 41 ILE MD . . 2.710 1.845 1.710 1.992 . 0 0 "[ . 1 . 2]" 1
411 1 33 MET ME 1 51 LEU MD1 . . 4.290 3.238 2.140 4.048 . 0 0 "[ . 1 . 2]" 1
412 1 33 MET ME 1 51 LEU QD . . 3.390 2.638 1.913 3.343 . 0 0 "[ . 1 . 2]" 1
413 1 33 MET ME 1 51 LEU MD2 . . 4.290 2.888 1.998 3.985 . 0 0 "[ . 1 . 2]" 1
414 1 33 MET ME 1 53 ARG QD . . 4.680 3.496 2.116 4.717 0.037 13 0 "[ . 1 . 2]" 1
415 1 33 MET ME 1 122 PHE QE . . 4.360 4.213 3.648 4.390 0.030 3 0 "[ . 1 . 2]" 1
416 1 33 MET QG 1 34 GLU H . . 3.540 2.447 2.171 3.062 . 0 0 "[ . 1 . 2]" 1
417 1 33 MET QG 1 37 GLY H . . 4.100 3.460 3.227 3.757 . 0 0 "[ . 1 . 2]" 1
418 1 33 MET QG 1 37 GLY HA2 . . 4.260 3.388 3.077 3.664 . 0 0 "[ . 1 . 2]" 1
419 1 33 MET QG 1 38 ALA H . . 3.730 3.000 2.638 3.405 . 0 0 "[ . 1 . 2]" 1
420 1 33 MET QG 1 38 ALA HA . . 4.880 3.664 2.429 4.358 . 0 0 "[ . 1 . 2]" 1
421 1 33 MET HG2 1 34 GLU H . . 4.050 2.996 2.363 3.924 . 0 0 "[ . 1 . 2]" 1
422 1 33 MET HG2 1 37 GLY H . . 4.940 3.759 3.397 4.871 . 0 0 "[ . 1 . 2]" 1
423 1 33 MET HG2 1 37 GLY HA2 . . 4.870 3.901 3.324 4.878 0.008 5 0 "[ . 1 . 2]" 1
424 1 33 MET HG2 1 37 GLY HA3 . . 4.360 2.340 1.982 3.316 . 0 0 "[ . 1 . 2]" 1
425 1 33 MET HG3 1 34 GLU H . . 4.050 2.694 2.297 3.321 . 0 0 "[ . 1 . 2]" 1
426 1 33 MET HG3 1 37 GLY H . . 4.940 4.244 3.629 4.949 0.009 17 0 "[ . 1 . 2]" 1
427 1 33 MET HG3 1 37 GLY HA2 . . 4.870 3.830 3.444 4.374 . 0 0 "[ . 1 . 2]" 1
428 1 33 MET HG3 1 37 GLY HA3 . . 4.360 2.365 1.987 2.998 . 0 0 "[ . 1 . 2]" 1
429 1 34 GLU H 1 34 GLU HB2 . . 4.080 3.628 3.593 3.674 . 0 0 "[ . 1 . 2]" 1
430 1 34 GLU H 1 34 GLU HB3 . . 3.410 2.685 2.467 2.882 . 0 0 "[ . 1 . 2]" 1
431 1 34 GLU H 1 34 GLU HG2 . . 3.220 2.041 1.891 2.623 . 0 0 "[ . 1 . 2]" 1
432 1 34 GLU H 1 34 GLU HG3 . . 4.190 3.448 3.227 3.758 . 0 0 "[ . 1 . 2]" 1
433 1 34 GLU H 1 37 GLY H . . 4.990 3.749 3.416 3.963 . 0 0 "[ . 1 . 2]" 1
434 1 34 GLU H 1 37 GLY HA2 . . 5.050 4.896 4.289 5.109 0.059 12 0 "[ . 1 . 2]" 1
435 1 34 GLU H 1 37 GLY HA3 . . 5.010 3.287 2.582 3.585 . 0 0 "[ . 1 . 2]" 1
436 1 34 GLU HA 1 34 GLU HG2 . . 3.700 3.657 3.606 3.686 . 0 0 "[ . 1 . 2]" 1
437 1 34 GLU HA 1 35 ARG H . . 3.520 2.460 2.312 2.670 . 0 0 "[ . 1 . 2]" 1
438 1 34 GLU HA 1 35 ARG HA . . 4.730 4.297 4.290 4.315 . 0 0 "[ . 1 . 2]" 1
439 1 34 GLU HA 1 37 GLY H . . 4.750 4.612 4.436 4.761 0.011 1 0 "[ . 1 . 2]" 1
440 1 34 GLU HB2 1 35 ARG H . . 4.190 2.342 1.953 2.680 . 0 0 "[ . 1 . 2]" 1
441 1 34 GLU HB2 1 36 ALA H . . 3.770 3.685 3.402 3.800 0.030 7 0 "[ . 1 . 2]" 1
442 1 34 GLU HB2 1 36 ALA MB . . 4.660 4.269 4.060 4.516 . 0 0 "[ . 1 . 2]" 1
443 1 34 GLU HB2 1 37 GLY H . . 4.520 4.008 3.868 4.136 . 0 0 "[ . 1 . 2]" 1
444 1 34 GLU HB3 1 37 GLY H . . 4.830 4.583 4.400 4.720 . 0 0 "[ . 1 . 2]" 1
445 1 34 GLU HG2 1 35 ARG H . . 4.600 4.329 3.343 4.553 . 0 0 "[ . 1 . 2]" 1
446 1 34 GLU HG2 1 36 ALA MB . . 4.280 3.812 3.507 4.154 . 0 0 "[ . 1 . 2]" 1
447 1 34 GLU HG2 1 37 GLY HA2 . . 5.280 4.035 3.649 4.445 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLU HG2 1 37 GLY HA3 . . 5.290 2.949 2.527 3.320 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLU HG3 1 35 ARG H . . 4.880 3.523 3.204 3.829 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLU HG3 1 35 ARG HA . . 5.500 4.978 4.666 5.592 0.092 7 0 "[ . 1 . 2]" 1
451 1 34 GLU HG3 1 36 ALA H . . 4.360 2.807 2.536 3.502 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLU HG3 1 37 GLY H . . 3.690 2.152 1.960 3.182 . 0 0 "[ . 1 . 2]" 1
453 1 35 ARG H 1 35 ARG HB2 . . 4.160 2.402 2.216 2.614 . 0 0 "[ . 1 . 2]" 1
454 1 35 ARG H 1 35 ARG HB3 . . 4.070 2.711 2.436 2.972 . 0 0 "[ . 1 . 2]" 1
455 1 35 ARG H 1 35 ARG QD . . 5.040 4.461 4.188 4.650 . 0 0 "[ . 1 . 2]" 1
456 1 35 ARG H 1 35 ARG QG . . 4.980 3.935 3.808 4.032 . 0 0 "[ . 1 . 2]" 1
457 1 35 ARG H 1 36 ALA H . . 4.500 3.165 2.982 3.340 . 0 0 "[ . 1 . 2]" 1
458 1 35 ARG HA 1 35 ARG QD . . 4.290 2.894 1.981 3.460 . 0 0 "[ . 1 . 2]" 1
459 1 35 ARG HA 1 35 ARG HG2 . . 3.960 2.786 2.264 3.856 . 0 0 "[ . 1 . 2]" 1
460 1 35 ARG HA 1 35 ARG QG . . 3.420 2.521 2.239 3.061 . 0 0 "[ . 1 . 2]" 1
461 1 35 ARG HA 1 35 ARG HG3 . . 3.960 3.442 3.108 3.609 . 0 0 "[ . 1 . 2]" 1
462 1 35 ARG HA 1 36 ALA HA . . 5.090 4.821 4.750 4.859 . 0 0 "[ . 1 . 2]" 1
463 1 35 ARG HA 1 37 GLY H . . 4.720 4.319 3.977 4.705 . 0 0 "[ . 1 . 2]" 1
464 1 35 ARG HA 1 38 ALA H . . 3.960 3.561 3.368 3.786 . 0 0 "[ . 1 . 2]" 1
465 1 35 ARG HA 1 38 ALA MB . . 3.470 3.084 2.919 3.330 . 0 0 "[ . 1 . 2]" 1
466 1 35 ARG HA 1 39 GLU H . . 4.600 4.254 3.910 4.554 . 0 0 "[ . 1 . 2]" 1
467 1 35 ARG HA 1 53 ARG QD . . 5.340 4.213 3.786 4.966 . 0 0 "[ . 1 . 2]" 1
468 1 35 ARG HA 1 74 HIS HE1 . . 4.230 3.532 3.082 4.202 . 0 0 "[ . 1 . 2]" 1
469 1 35 ARG HB2 1 36 ALA H . . 3.760 3.532 3.323 3.769 0.009 15 0 "[ . 1 . 2]" 1
470 1 35 ARG HB3 1 36 ALA H . . 3.300 2.064 1.912 2.318 . 0 0 "[ . 1 . 2]" 1
471 1 35 ARG HB3 1 36 ALA HA . . 4.830 4.119 3.933 4.359 . 0 0 "[ . 1 . 2]" 1
472 1 35 ARG HB3 1 37 GLY H . . 4.930 4.606 4.347 4.847 . 0 0 "[ . 1 . 2]" 1
473 1 35 ARG QD 1 36 ALA HA . . 4.590 3.208 2.345 4.618 0.028 7 0 "[ . 1 . 2]" 1
474 1 35 ARG QD 1 38 ALA H . . 4.520 4.478 4.194 4.575 0.055 4 0 "[ . 1 . 2]" 1
475 1 35 ARG QD 1 74 HIS HE1 . . 4.210 2.689 1.837 3.563 . 0 0 "[ . 1 . 2]" 1
476 1 35 ARG QD 1 74 HIS HE2 . . 5.020 2.854 1.900 4.077 . 0 0 "[ . 1 . 2]" 1
477 1 35 ARG QG 1 36 ALA H . . 3.910 3.570 2.798 3.924 0.014 19 0 "[ . 1 . 2]" 1
478 1 35 ARG QG 1 36 ALA HA . . 4.830 4.174 3.079 4.865 0.035 4 0 "[ . 1 . 2]" 1
479 1 35 ARG QG 1 36 ALA MB . . 5.340 4.564 3.767 4.970 . 0 0 "[ . 1 . 2]" 1
480 1 35 ARG QG 1 38 ALA MB . . 5.340 4.191 3.627 4.519 . 0 0 "[ . 1 . 2]" 1
481 1 35 ARG QG 1 39 GLU QG . . 4.630 3.156 2.295 3.908 . 0 0 "[ . 1 . 2]" 1
482 1 35 ARG QG 1 74 HIS HE1 . . 3.840 2.998 2.089 3.850 0.010 15 0 "[ . 1 . 2]" 1
483 1 35 ARG QG 1 74 HIS HE2 . . 5.340 3.636 2.631 4.888 . 0 0 "[ . 1 . 2]" 1
484 1 35 ARG HG2 1 36 ALA H . . 4.530 4.170 3.793 4.452 . 0 0 "[ . 1 . 2]" 1
485 1 35 ARG HG3 1 36 ALA H . . 4.530 3.977 2.881 4.494 . 0 0 "[ . 1 . 2]" 1
486 1 36 ALA H 1 36 ALA MB . . 2.750 2.152 2.042 2.241 . 0 0 "[ . 1 . 2]" 1
487 1 36 ALA H 1 37 GLY H . . 3.560 2.847 2.700 2.910 . 0 0 "[ . 1 . 2]" 1
488 1 36 ALA H 1 37 GLY HA2 . . 5.460 5.411 5.285 5.460 . 13 0 "[ . 1 . 2]" 1
489 1 36 ALA H 1 37 GLY HA3 . . 5.420 5.118 4.994 5.185 . 0 0 "[ . 1 . 2]" 1
490 1 36 ALA H 1 38 ALA H . . 4.360 4.311 4.215 4.401 0.041 7 0 "[ . 1 . 2]" 1
491 1 36 ALA H 1 39 GLU H . . 5.250 5.059 4.752 5.285 0.035 12 0 "[ . 1 . 2]" 1
492 1 36 ALA HA 1 38 ALA H . . 4.740 4.142 3.927 4.306 . 0 0 "[ . 1 . 2]" 1
493 1 36 ALA HA 1 39 GLU H . . 3.980 3.677 3.308 3.993 0.013 9 0 "[ . 1 . 2]" 1
494 1 36 ALA HA 1 39 GLU QB . . 3.240 2.874 2.451 3.247 0.007 3 0 "[ . 1 . 2]" 1
495 1 36 ALA HA 1 39 GLU HG2 . . 5.240 4.698 3.841 5.217 . 0 0 "[ . 1 . 2]" 1
496 1 36 ALA HA 1 39 GLU QG . . 4.490 3.027 2.135 3.582 . 0 0 "[ . 1 . 2]" 1
497 1 36 ALA HA 1 39 GLU HG3 . . 5.240 3.068 2.146 3.652 . 0 0 "[ . 1 . 2]" 1
498 1 36 ALA HA 1 40 SER H . . 4.610 3.961 3.499 4.619 0.009 3 0 "[ . 1 . 2]" 1
499 1 36 ALA MB 1 37 GLY H . . 3.280 2.672 2.418 2.938 . 0 0 "[ . 1 . 2]" 1
500 1 36 ALA MB 1 37 GLY HA2 . . 4.210 3.786 3.697 3.882 . 0 0 "[ . 1 . 2]" 1
501 1 36 ALA MB 1 37 GLY HA3 . . 4.480 4.277 4.156 4.380 . 0 0 "[ . 1 . 2]" 1
502 1 36 ALA MB 1 40 SER H . . 5.130 4.564 4.275 4.971 . 0 0 "[ . 1 . 2]" 1
503 1 37 GLY H 1 38 ALA H . . 3.310 2.715 2.543 2.869 . 0 0 "[ . 1 . 2]" 1
504 1 37 GLY H 1 39 GLU H . . 4.800 4.594 4.343 4.817 0.017 12 0 "[ . 1 . 2]" 1
505 1 37 GLY H 1 40 SER QB . . 5.500 5.125 4.683 5.513 0.013 17 0 "[ . 1 . 2]" 1
506 1 37 GLY HA2 1 40 SER H . . 4.580 4.197 3.813 4.423 . 0 0 "[ . 1 . 2]" 1
507 1 37 GLY HA3 1 38 ALA H . . 3.560 2.899 2.835 2.978 . 0 0 "[ . 1 . 2]" 1
508 1 37 GLY HA3 1 38 ALA HA . . 4.920 4.356 4.339 4.386 . 0 0 "[ . 1 . 2]" 1
509 1 37 GLY HA3 1 38 ALA MB . . 5.050 4.357 4.284 4.451 . 0 0 "[ . 1 . 2]" 1
510 1 37 GLY HA3 1 40 SER H . . 5.500 5.279 4.937 5.499 . 0 0 "[ . 1 . 2]" 1
511 1 38 ALA H 1 38 ALA MB . . 2.970 2.164 2.083 2.260 . 0 0 "[ . 1 . 2]" 1
512 1 38 ALA H 1 39 GLU H . . 3.370 2.656 2.451 2.846 . 0 0 "[ . 1 . 2]" 1
513 1 38 ALA H 1 39 GLU QB . . 4.690 4.534 4.285 4.714 0.024 5 0 "[ . 1 . 2]" 1
514 1 38 ALA H 1 40 SER H . . 4.320 4.151 3.774 4.357 0.037 5 0 "[ . 1 . 2]" 1
515 1 38 ALA H 1 41 ILE MD . . 4.960 4.755 4.255 4.993 0.033 20 0 "[ . 1 . 2]" 1
516 1 38 ALA H 1 42 LEU QD . . 5.440 5.004 4.466 5.465 0.025 15 0 "[ . 1 . 2]" 1
517 1 38 ALA H 1 51 LEU MD1 . . 5.500 5.255 4.781 5.514 0.014 13 0 "[ . 1 . 2]" 1
518 1 38 ALA H 1 51 LEU MD2 . . 5.500 5.329 4.836 5.530 0.030 17 0 "[ . 1 . 2]" 1
519 1 38 ALA HA 1 39 GLU HA . . 5.030 4.890 4.795 4.941 . 0 0 "[ . 1 . 2]" 1
520 1 38 ALA HA 1 41 ILE H . . 4.150 3.496 3.292 3.719 . 0 0 "[ . 1 . 2]" 1
521 1 38 ALA HA 1 41 ILE HB . . 3.360 3.039 2.554 3.364 0.004 7 0 "[ . 1 . 2]" 1
522 1 38 ALA HA 1 41 ILE MD . . 3.180 2.558 2.111 2.906 . 0 0 "[ . 1 . 2]" 1
523 1 38 ALA HA 1 42 LEU QD . . 4.360 3.509 2.793 4.257 . 0 0 "[ . 1 . 2]" 1
524 1 38 ALA HA 1 51 LEU MD1 . . 4.200 3.595 2.685 3.867 . 0 0 "[ . 1 . 2]" 1
525 1 38 ALA HA 1 51 LEU QD . . 3.230 2.853 2.494 3.136 . 0 0 "[ . 1 . 2]" 1
526 1 38 ALA HA 1 51 LEU MD2 . . 4.200 3.036 2.550 3.660 . 0 0 "[ . 1 . 2]" 1
527 1 38 ALA HA 1 53 ARG HD2 . . 5.500 4.754 3.441 5.554 0.054 13 0 "[ . 1 . 2]" 1
528 1 38 ALA HA 1 53 ARG HD3 . . 5.500 4.679 3.720 5.515 0.015 20 0 "[ . 1 . 2]" 1
529 1 38 ALA MB 1 39 GLU H . . 3.290 2.304 1.983 2.602 . 0 0 "[ . 1 . 2]" 1
530 1 38 ALA MB 1 39 GLU HA . . 4.090 3.661 3.576 3.784 . 0 0 "[ . 1 . 2]" 1
531 1 38 ALA MB 1 39 GLU HG2 . . 4.580 3.878 3.532 4.206 . 0 0 "[ . 1 . 2]" 1
532 1 38 ALA MB 1 39 GLU QG . . 3.720 3.328 3.012 3.717 . 0 0 "[ . 1 . 2]" 1
533 1 38 ALA MB 1 39 GLU HG3 . . 4.580 3.633 3.162 4.141 . 0 0 "[ . 1 . 2]" 1
534 1 38 ALA MB 1 40 SER H . . 5.500 4.501 4.240 4.745 . 0 0 "[ . 1 . 2]" 1
535 1 38 ALA MB 1 42 LEU QD . . 3.240 2.644 2.233 2.998 . 0 0 "[ . 1 . 2]" 1
536 1 38 ALA MB 1 51 LEU MD1 . . 3.530 2.330 2.060 2.633 . 0 0 "[ . 1 . 2]" 1
537 1 38 ALA MB 1 51 LEU QD . . 2.950 2.231 1.975 2.516 . 0 0 "[ . 1 . 2]" 1
538 1 38 ALA MB 1 51 LEU MD2 . . 3.530 2.884 2.482 3.261 . 0 0 "[ . 1 . 2]" 1
539 1 38 ALA MB 1 53 ARG HD2 . . 3.770 2.672 1.791 3.371 . 0 0 "[ . 1 . 2]" 1
540 1 38 ALA MB 1 53 ARG QD . . 3.190 2.108 1.773 2.674 . 0 0 "[ . 1 . 2]" 1
541 1 38 ALA MB 1 53 ARG HD3 . . 3.770 2.436 1.839 3.026 . 0 0 "[ . 1 . 2]" 1
542 1 38 ALA MB 1 53 ARG HE . . 3.770 2.992 1.894 3.764 . 0 0 "[ . 1 . 2]" 1
543 1 38 ALA MB 1 65 SER H . . 5.150 4.780 4.536 5.038 . 0 0 "[ . 1 . 2]" 1
544 1 38 ALA MB 1 65 SER HA . . 5.180 4.960 4.702 5.156 . 0 0 "[ . 1 . 2]" 1
545 1 38 ALA MB 1 65 SER HB2 . . 4.020 3.112 2.542 3.566 . 0 0 "[ . 1 . 2]" 1
546 1 38 ALA MB 1 65 SER HB3 . . 4.020 2.838 2.493 3.121 . 0 0 "[ . 1 . 2]" 1
547 1 38 ALA MB 1 65 SER HG . . 3.850 3.740 3.385 3.862 0.012 1 0 "[ . 1 . 2]" 1
548 1 38 ALA MB 1 72 VAL QG . . 3.680 3.276 3.030 3.527 . 0 0 "[ . 1 . 2]" 1
549 1 38 ALA MB 1 74 HIS HE1 . . 3.510 2.778 2.135 3.397 . 0 0 "[ . 1 . 2]" 1
550 1 39 GLU H 1 39 GLU QB . . 3.030 2.589 2.431 2.693 . 0 0 "[ . 1 . 2]" 1
551 1 39 GLU H 1 39 GLU HG2 . . 3.380 2.867 2.634 3.121 . 0 0 "[ . 1 . 2]" 1
552 1 39 GLU H 1 39 GLU HG3 . . 3.380 2.198 2.015 2.518 . 0 0 "[ . 1 . 2]" 1
553 1 39 GLU H 1 40 SER H . . 3.430 3.009 2.789 3.170 . 0 0 "[ . 1 . 2]" 1
554 1 39 GLU H 1 40 SER QB . . 4.860 4.682 4.511 4.821 . 0 0 "[ . 1 . 2]" 1
555 1 39 GLU H 1 42 LEU QD . . 4.670 3.814 3.336 4.423 . 0 0 "[ . 1 . 2]" 1
556 1 39 GLU H 1 51 LEU MD1 . . 5.500 5.477 5.271 5.546 0.046 12 0 "[ . 1 . 2]" 1
557 1 39 GLU H 1 51 LEU MD2 . . 5.500 5.325 4.961 5.514 0.014 12 0 "[ . 1 . 2]" 1
558 1 39 GLU H 1 72 VAL MG1 . . 4.540 3.442 3.182 3.710 . 0 0 "[ . 1 . 2]" 1
559 1 39 GLU H 1 72 VAL QG . . 3.870 3.311 3.091 3.510 . 0 0 "[ . 1 . 2]" 1
560 1 39 GLU H 1 72 VAL MG2 . . 4.540 4.317 4.150 4.554 0.014 14 0 "[ . 1 . 2]" 1
561 1 39 GLU H 1 74 HIS HE1 . . 4.180 3.176 2.564 3.515 . 0 0 "[ . 1 . 2]" 1
562 1 39 GLU H 1 74 HIS HE2 . . 5.280 4.976 4.253 5.271 . 0 0 "[ . 1 . 2]" 1
563 1 39 GLU HA 1 39 GLU HG2 . . 3.750 2.441 2.268 2.569 . 0 0 "[ . 1 . 2]" 1
564 1 39 GLU HA 1 39 GLU QG . . 3.150 2.383 2.230 2.491 . 0 0 "[ . 1 . 2]" 1
565 1 39 GLU HA 1 39 GLU HG3 . . 3.750 3.337 3.230 3.427 . 0 0 "[ . 1 . 2]" 1
566 1 39 GLU HA 1 41 ILE H . . 4.600 4.409 4.112 4.614 0.014 7 0 "[ . 1 . 2]" 1
567 1 39 GLU HA 1 42 LEU H . . 4.090 3.861 3.532 4.066 . 0 0 "[ . 1 . 2]" 1
568 1 39 GLU HA 1 42 LEU HB2 . . 4.000 3.405 3.256 3.588 . 0 0 "[ . 1 . 2]" 1
569 1 39 GLU HA 1 42 LEU HB3 . . 5.500 5.130 4.937 5.302 . 0 0 "[ . 1 . 2]" 1
570 1 39 GLU HA 1 42 LEU QD . . 4.200 2.578 2.062 3.265 . 0 0 "[ . 1 . 2]" 1
571 1 39 GLU HA 1 43 ALA H . . 4.960 4.166 3.801 4.444 . 0 0 "[ . 1 . 2]" 1
572 1 39 GLU HA 1 43 ALA MB . . 4.620 3.965 3.654 4.326 . 0 0 "[ . 1 . 2]" 1
573 1 39 GLU HA 1 72 VAL H . . 5.500 5.330 4.954 5.519 0.019 17 0 "[ . 1 . 2]" 1
574 1 39 GLU HA 1 72 VAL HB . . 3.960 3.193 2.806 3.389 . 0 0 "[ . 1 . 2]" 1
575 1 39 GLU HA 1 72 VAL MG1 . . 3.430 2.016 1.947 2.328 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLU HA 1 72 VAL QG . . 2.830 1.818 1.750 2.039 . 0 0 "[ . 1 . 2]" 1
577 1 39 GLU HA 1 72 VAL MG2 . . 3.430 2.090 1.939 2.377 . 0 0 "[ . 1 . 2]" 1
578 1 39 GLU HA 1 74 HIS HE1 . . 4.640 4.101 3.503 4.442 . 0 0 "[ . 1 . 2]" 1
579 1 39 GLU QB 1 40 SER H . . 3.040 2.365 2.177 2.534 . 0 0 "[ . 1 . 2]" 1
580 1 39 GLU QB 1 40 SER HA . . 4.440 3.800 3.758 3.841 . 0 0 "[ . 1 . 2]" 1
581 1 39 GLU QB 1 40 SER QB . . 4.260 3.900 3.703 4.280 0.020 4 0 "[ . 1 . 2]" 1
582 1 39 GLU QB 1 41 ILE H . . 4.900 4.660 4.504 4.789 . 0 0 "[ . 1 . 2]" 1
583 1 39 GLU QB 1 42 LEU H . . 5.450 5.303 4.884 5.518 0.068 14 0 "[ . 1 . 2]" 1
584 1 39 GLU QB 1 43 ALA H . . 5.120 4.797 4.574 5.106 . 0 0 "[ . 1 . 2]" 1
585 1 39 GLU QB 1 43 ALA MB . . 4.280 3.442 3.068 3.918 . 0 0 "[ . 1 . 2]" 1
586 1 39 GLU QB 1 72 VAL MG1 . . 4.380 3.353 3.155 3.623 . 0 0 "[ . 1 . 2]" 1
587 1 39 GLU QB 1 72 VAL QG . . 3.430 2.151 1.952 2.629 . 0 0 "[ . 1 . 2]" 1
588 1 39 GLU QB 1 72 VAL MG2 . . 4.380 2.180 1.965 2.726 . 0 0 "[ . 1 . 2]" 1
589 1 39 GLU QB 1 74 HIS HE1 . . 4.840 4.329 4.031 4.721 . 0 0 "[ . 1 . 2]" 1
590 1 39 GLU QB 1 74 HIS HE2 . . 5.010 4.632 4.072 5.014 0.004 11 0 "[ . 1 . 2]" 1
591 1 39 GLU QG 1 40 SER H . . 4.180 3.914 3.743 4.079 . 0 0 "[ . 1 . 2]" 1
592 1 39 GLU QG 1 72 VAL HB . . 3.530 2.137 1.987 2.502 . 0 0 "[ . 1 . 2]" 1
593 1 39 GLU QG 1 72 VAL QG . . 3.050 2.013 1.907 2.202 . 0 0 "[ . 1 . 2]" 1
594 1 39 GLU QG 1 74 HIS HE1 . . 3.440 2.322 1.921 2.756 . 0 0 "[ . 1 . 2]" 1
595 1 39 GLU QG 1 74 HIS HE2 . . 3.900 2.619 1.982 2.894 . 0 0 "[ . 1 . 2]" 1
596 1 39 GLU HG2 1 40 SER H . . 5.040 4.755 4.630 4.863 . 0 0 "[ . 1 . 2]" 1
597 1 39 GLU HG2 1 72 VAL HB . . 4.180 2.149 1.996 2.525 . 0 0 "[ . 1 . 2]" 1
598 1 39 GLU HG2 1 72 VAL MG1 . . 4.290 2.081 1.962 2.341 . 0 0 "[ . 1 . 2]" 1
599 1 39 GLU HG2 1 72 VAL MG2 . . 4.290 2.914 2.623 3.217 . 0 0 "[ . 1 . 2]" 1
600 1 39 GLU HG2 1 74 HIS HE1 . . 4.020 2.576 1.998 3.059 . 0 0 "[ . 1 . 2]" 1
601 1 39 GLU HG2 1 74 HIS HE2 . . 4.460 2.725 2.001 3.267 . 0 0 "[ . 1 . 2]" 1
602 1 39 GLU HG3 1 40 SER H . . 5.040 4.167 3.938 4.409 . 0 0 "[ . 1 . 2]" 1
603 1 39 GLU HG3 1 72 VAL HB . . 4.180 3.797 3.557 4.070 . 0 0 "[ . 1 . 2]" 1
604 1 39 GLU HG3 1 72 VAL MG1 . . 4.290 3.448 3.189 3.668 . 0 0 "[ . 1 . 2]" 1
605 1 39 GLU HG3 1 72 VAL MG2 . . 4.290 4.113 3.911 4.294 0.004 7 0 "[ . 1 . 2]" 1
606 1 39 GLU HG3 1 74 HIS HE1 . . 4.020 2.684 2.225 3.159 . 0 0 "[ . 1 . 2]" 1
607 1 39 GLU HG3 1 74 HIS HE2 . . 4.460 3.525 3.125 3.925 . 0 0 "[ . 1 . 2]" 1
608 1 40 SER H 1 40 SER QB . . 2.700 2.216 2.136 2.277 . 0 0 "[ . 1 . 2]" 1
609 1 40 SER H 1 41 ILE H . . 3.380 2.873 2.739 3.060 . 0 0 "[ . 1 . 2]" 1
610 1 40 SER H 1 41 ILE HB . . 5.170 4.944 4.744 5.127 . 0 0 "[ . 1 . 2]" 1
611 1 40 SER H 1 42 LEU H . . 4.980 4.867 4.449 5.051 0.071 14 0 "[ . 1 . 2]" 1
612 1 40 SER H 1 42 LEU QD . . 5.440 4.724 4.127 5.482 0.042 20 0 "[ . 1 . 2]" 1
613 1 40 SER H 1 43 ALA MB . . 4.730 3.948 3.730 4.192 . 0 0 "[ . 1 . 2]" 1
614 1 40 SER H 1 72 VAL MG1 . . 5.220 5.058 4.918 5.202 . 0 0 "[ . 1 . 2]" 1
615 1 40 SER H 1 72 VAL QG . . 4.490 4.250 4.073 4.490 . 0 0 "[ . 1 . 2]" 1
616 1 40 SER H 1 72 VAL MG2 . . 5.220 4.573 4.326 4.965 . 0 0 "[ . 1 . 2]" 1
617 1 40 SER HA 1 43 ALA H . . 4.400 3.647 3.247 3.901 . 0 0 "[ . 1 . 2]" 1
618 1 40 SER HA 1 43 ALA MB . . 3.340 2.175 1.943 2.460 . 0 0 "[ . 1 . 2]" 1
619 1 40 SER HA 1 72 VAL QG . . 5.380 4.671 4.430 5.074 . 0 0 "[ . 1 . 2]" 1
620 1 40 SER QB 1 41 ILE H . . 3.030 2.501 2.306 2.700 . 0 0 "[ . 1 . 2]" 1
621 1 40 SER QB 1 43 ALA MB . . 4.670 3.964 3.722 4.153 . 0 0 "[ . 1 . 2]" 1
622 1 41 ILE H 1 41 ILE HB . . 3.030 2.419 2.293 2.558 . 0 0 "[ . 1 . 2]" 1
623 1 41 ILE H 1 41 ILE MD . . 3.770 3.578 3.291 3.781 0.011 15 0 "[ . 1 . 2]" 1
624 1 41 ILE H 1 41 ILE HG12 . . 3.770 3.632 3.243 3.865 0.095 11 0 "[ . 1 . 2]" 1
625 1 41 ILE H 1 41 ILE QG . . 3.100 2.320 2.028 2.587 . 0 0 "[ . 1 . 2]" 1
626 1 41 ILE H 1 41 ILE HG13 . . 3.770 2.349 2.044 2.632 . 0 0 "[ . 1 . 2]" 1
627 1 41 ILE H 1 41 ILE MG . . 3.870 3.731 3.683 3.768 . 0 0 "[ . 1 . 2]" 1
628 1 41 ILE H 1 42 LEU MD1 . . 5.500 4.601 4.120 5.227 . 0 0 "[ . 1 . 2]" 1
629 1 41 ILE H 1 42 LEU QD . . 4.840 3.889 3.258 4.773 . 0 0 "[ . 1 . 2]" 1
630 1 41 ILE H 1 42 LEU MD2 . . 5.500 4.314 3.362 5.575 0.075 5 0 "[ . 1 . 2]" 1
631 1 41 ILE H 1 51 LEU QD . . 4.880 4.368 4.026 4.775 . 0 0 "[ . 1 . 2]" 1
632 1 41 ILE HA 1 41 ILE HG12 . . 3.430 2.500 2.378 2.714 . 0 0 "[ . 1 . 2]" 1
633 1 41 ILE HA 1 41 ILE QG . . 2.950 2.331 2.248 2.432 . 0 0 "[ . 1 . 2]" 1
634 1 41 ILE HA 1 41 ILE HG13 . . 3.430 2.804 2.616 3.049 . 0 0 "[ . 1 . 2]" 1
635 1 41 ILE HA 1 41 ILE MG . . 2.960 2.507 2.451 2.568 . 0 0 "[ . 1 . 2]" 1
636 1 41 ILE HA 1 43 ALA H . . 4.150 3.857 3.666 4.060 . 0 0 "[ . 1 . 2]" 1
637 1 41 ILE HA 1 43 ALA MB . . 5.210 4.629 4.333 4.940 . 0 0 "[ . 1 . 2]" 1
638 1 41 ILE HB 1 41 ILE MD . . 3.120 2.378 2.151 2.465 . 0 0 "[ . 1 . 2]" 1
639 1 41 ILE HB 1 42 LEU HA . . 4.900 4.436 4.230 4.680 . 0 0 "[ . 1 . 2]" 1
640 1 41 ILE HB 1 42 LEU MD1 . . 4.850 3.071 2.058 4.306 . 0 0 "[ . 1 . 2]" 1
641 1 41 ILE HB 1 42 LEU QD . . 4.110 2.724 1.927 3.719 . 0 0 "[ . 1 . 2]" 1
642 1 41 ILE HB 1 42 LEU MD2 . . 4.850 3.076 2.257 4.089 . 0 0 "[ . 1 . 2]" 1
643 1 41 ILE HB 1 51 LEU QD . . 4.000 2.616 2.365 3.153 . 0 0 "[ . 1 . 2]" 1
644 1 41 ILE HB 1 122 PHE QD . . 4.990 4.510 4.253 4.765 . 0 0 "[ . 1 . 2]" 1
645 1 41 ILE MD 1 51 LEU QD . . 3.380 2.171 1.785 2.570 . 0 0 "[ . 1 . 2]" 1
646 1 41 ILE MD 1 122 PHE QD . . 3.720 2.433 1.966 3.057 . 0 0 "[ . 1 . 2]" 1
647 1 41 ILE MD 1 122 PHE QE . . 3.640 2.575 1.982 3.356 . 0 0 "[ . 1 . 2]" 1
648 1 41 ILE QG 1 41 ILE MG . . 2.990 2.279 2.177 2.361 . 0 0 "[ . 1 . 2]" 1
649 1 41 ILE QG 1 51 LEU QD . . 4.170 3.635 3.339 3.943 . 0 0 "[ . 1 . 2]" 1
650 1 41 ILE MG 1 42 LEU H . . 3.300 2.623 2.473 2.873 . 0 0 "[ . 1 . 2]" 1
651 1 41 ILE MG 1 42 LEU HA . . 3.730 2.999 2.817 3.205 . 0 0 "[ . 1 . 2]" 1
652 1 41 ILE MG 1 42 LEU MD1 . . 3.710 2.692 1.877 3.809 0.099 18 0 "[ . 1 . 2]" 1
653 1 41 ILE MG 1 42 LEU QD . . 2.970 2.083 1.867 2.330 . 0 0 "[ . 1 . 2]" 1
654 1 41 ILE MG 1 42 LEU MD2 . . 3.710 2.904 2.219 3.487 . 0 0 "[ . 1 . 2]" 1
655 1 41 ILE MG 1 45 ARG H . . 4.740 4.153 3.867 4.494 . 0 0 "[ . 1 . 2]" 1
656 1 41 ILE MG 1 45 ARG QB . . 4.710 3.409 2.833 4.431 . 0 0 "[ . 1 . 2]" 1
657 1 41 ILE MG 1 51 LEU QD . . 2.940 2.065 1.824 2.530 . 0 0 "[ . 1 . 2]" 1
658 1 41 ILE MG 1 122 PHE H . . 5.500 5.512 5.316 5.638 0.138 15 0 "[ . 1 . 2]" 1
659 1 41 ILE MG 1 122 PHE HA . . 4.680 3.384 3.155 3.635 . 0 0 "[ . 1 . 2]" 1
660 1 41 ILE MG 1 122 PHE HB2 . . 3.720 3.489 3.206 3.735 0.015 3 0 "[ . 1 . 2]" 1
661 1 41 ILE MG 1 122 PHE HB3 . . 5.160 4.864 4.612 5.025 . 0 0 "[ . 1 . 2]" 1
662 1 41 ILE MG 1 122 PHE QD . . 3.220 2.186 1.931 2.561 . 0 0 "[ . 1 . 2]" 1
663 1 42 LEU H 1 42 LEU HB2 . . 3.090 2.755 2.678 2.818 . 0 0 "[ . 1 . 2]" 1
664 1 42 LEU H 1 42 LEU HB3 . . 3.600 3.571 3.547 3.627 0.027 17 0 "[ . 1 . 2]" 1
665 1 42 LEU H 1 42 LEU MD1 . . 3.880 2.428 1.815 3.304 . 0 0 "[ . 1 . 2]" 1
666 1 42 LEU H 1 42 LEU QD . . 3.230 2.174 1.605 3.004 . 0 0 "[ . 1 . 2]" 1
667 1 42 LEU H 1 42 LEU MD2 . . 3.880 2.464 1.790 3.482 . 0 0 "[ . 1 . 2]" 1
668 1 42 LEU H 1 42 LEU HG . . 3.360 2.918 1.867 3.635 0.275 4 0 "[ . 1 . 2]" 1
669 1 42 LEU H 1 43 ALA MB . . 4.530 4.267 3.992 4.430 . 0 0 "[ . 1 . 2]" 1
670 1 42 LEU H 1 45 ARG H . . 5.360 4.952 4.782 5.357 . 0 0 "[ . 1 . 2]" 1
671 1 42 LEU H 1 51 LEU QD . . 4.240 3.357 3.151 3.811 . 0 0 "[ . 1 . 2]" 1
672 1 42 LEU H 1 67 LYS HB3 . . 5.500 5.408 5.255 5.513 0.013 17 0 "[ . 1 . 2]" 1
673 1 42 LEU H 1 72 VAL MG1 . . 4.470 4.248 3.941 4.483 0.013 6 0 "[ . 1 . 2]" 1
674 1 42 LEU H 1 72 VAL MG2 . . 4.470 4.298 3.957 4.479 0.009 7 0 "[ . 1 . 2]" 1
675 1 42 LEU HA 1 42 LEU MD1 . . 3.980 2.841 1.937 4.011 0.031 20 0 "[ . 1 . 2]" 1
676 1 42 LEU HA 1 42 LEU QD . . 2.930 2.269 1.930 2.646 . 0 0 "[ . 1 . 2]" 1
677 1 42 LEU HA 1 42 LEU MD2 . . 3.980 3.209 2.566 3.648 . 0 0 "[ . 1 . 2]" 1
678 1 42 LEU HA 1 45 ARG H . . 3.900 3.659 3.193 3.895 . 0 0 "[ . 1 . 2]" 1
679 1 42 LEU HA 1 45 ARG QD . . 4.570 4.039 3.553 4.410 . 0 0 "[ . 1 . 2]" 1
680 1 42 LEU HA 1 45 ARG QG . . 4.240 3.712 2.348 4.252 0.012 16 0 "[ . 1 . 2]" 1
681 1 42 LEU HA 1 51 LEU QD . . 5.170 4.435 4.107 4.708 . 0 0 "[ . 1 . 2]" 1
682 1 42 LEU HA 1 72 VAL QG . . 5.440 4.500 4.382 4.659 . 0 0 "[ . 1 . 2]" 1
683 1 42 LEU HB2 1 42 LEU QD . . 2.870 2.047 1.961 2.167 . 0 0 "[ . 1 . 2]" 1
684 1 42 LEU HB2 1 43 ALA H . . 3.630 3.255 2.917 3.609 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU HB2 1 49 THR HB . . 4.770 4.088 3.771 4.283 . 0 0 "[ . 1 . 2]" 1
686 1 42 LEU HB2 1 72 VAL MG1 . . 4.340 2.662 2.278 2.982 . 0 0 "[ . 1 . 2]" 1
687 1 42 LEU HB2 1 72 VAL QG . . 3.050 2.260 2.173 2.455 . 0 0 "[ . 1 . 2]" 1
688 1 42 LEU HB2 1 72 VAL MG2 . . 4.340 2.493 2.306 2.764 . 0 0 "[ . 1 . 2]" 1
689 1 42 LEU HB3 1 42 LEU MD1 . . 3.630 2.602 2.515 2.695 . 0 0 "[ . 1 . 2]" 1
690 1 42 LEU HB3 1 42 LEU MD2 . . 3.630 2.689 2.037 3.120 . 0 0 "[ . 1 . 2]" 1
691 1 42 LEU HB3 1 43 ALA H . . 4.380 4.255 4.032 4.432 0.052 20 0 "[ . 1 . 2]" 1
692 1 42 LEU HB3 1 43 ALA HA . . 4.890 4.881 4.722 4.977 0.087 20 0 "[ . 1 . 2]" 1
693 1 42 LEU HB3 1 67 LYS H . . 3.780 2.365 1.978 2.774 . 0 0 "[ . 1 . 2]" 1
694 1 42 LEU HB3 1 67 LYS HB3 . . 3.920 2.140 1.994 2.333 . 0 0 "[ . 1 . 2]" 1
695 1 42 LEU HB3 1 72 VAL MG1 . . 4.480 3.718 3.485 4.099 . 0 0 "[ . 1 . 2]" 1
696 1 42 LEU HB3 1 72 VAL QG . . 3.330 3.287 3.163 3.363 0.033 9 0 "[ . 1 . 2]" 1
697 1 42 LEU HB3 1 72 VAL MG2 . . 4.480 3.699 3.351 3.910 . 0 0 "[ . 1 . 2]" 1
698 1 42 LEU QD 1 45 ARG QB . . 4.570 3.644 3.326 4.004 . 0 0 "[ . 1 . 2]" 1
699 1 42 LEU QD 1 49 THR H . . 4.450 4.190 3.797 4.478 0.028 3 0 "[ . 1 . 2]" 1
700 1 42 LEU QD 1 49 THR HA . . 4.660 3.898 3.556 4.203 . 0 0 "[ . 1 . 2]" 1
701 1 42 LEU QD 1 49 THR HB . . 3.740 2.162 2.000 2.333 . 0 0 "[ . 1 . 2]" 1
702 1 42 LEU QD 1 49 THR HG1 . . 4.500 4.203 3.942 4.478 . 0 0 "[ . 1 . 2]" 1
703 1 42 LEU QD 1 49 THR MG . . 2.880 1.901 1.838 1.981 . 0 0 "[ . 1 . 2]" 1
704 1 42 LEU QD 1 50 PHE H . . 4.340 3.070 2.772 3.356 . 0 0 "[ . 1 . 2]" 1
705 1 42 LEU QD 1 50 PHE HA . . 3.320 2.381 1.896 2.811 . 0 0 "[ . 1 . 2]" 1
706 1 42 LEU QD 1 50 PHE HB2 . . 4.670 4.184 3.720 4.603 . 0 0 "[ . 1 . 2]" 1
707 1 42 LEU QD 1 50 PHE HB3 . . 4.780 4.270 3.795 4.664 . 0 0 "[ . 1 . 2]" 1
708 1 42 LEU QD 1 51 LEU H . . 3.760 3.386 3.072 3.680 . 0 0 "[ . 1 . 2]" 1
709 1 42 LEU QD 1 51 LEU HB3 . . 4.250 3.265 2.682 3.476 . 0 0 "[ . 1 . 2]" 1
710 1 42 LEU QD 1 51 LEU QD . . 2.790 1.844 1.710 2.102 . 0 0 "[ . 1 . 2]" 1
711 1 42 LEU QD 1 65 SER H . . 5.320 4.139 3.696 4.569 . 0 0 "[ . 1 . 2]" 1
712 1 42 LEU QD 1 65 SER HA . . 4.660 3.984 3.450 4.465 . 0 0 "[ . 1 . 2]" 1
713 1 42 LEU QD 1 65 SER QB . . 3.360 2.315 1.936 2.802 . 0 0 "[ . 1 . 2]" 1
714 1 42 LEU QD 1 66 ILE H . . 3.980 3.657 3.081 4.023 0.043 8 0 "[ . 1 . 2]" 1
715 1 42 LEU QD 1 66 ILE HA . . 3.620 2.705 1.965 3.252 . 0 0 "[ . 1 . 2]" 1
716 1 42 LEU QD 1 67 LYS H . . 3.610 3.119 2.460 3.624 0.014 9 0 "[ . 1 . 2]" 1
717 1 42 LEU QD 1 67 LYS HB2 . . 4.190 3.400 2.958 3.668 . 0 0 "[ . 1 . 2]" 1
718 1 42 LEU QD 1 67 LYS HB3 . . 4.580 3.688 3.257 4.001 . 0 0 "[ . 1 . 2]" 1
719 1 42 LEU QD 1 72 VAL HA . . 4.890 4.321 3.784 4.717 . 0 0 "[ . 1 . 2]" 1
720 1 42 LEU QD 1 72 VAL QG . . 2.750 1.981 1.810 2.227 . 0 0 "[ . 1 . 2]" 1
721 1 42 LEU QD 1 122 PHE HA . . 4.170 3.757 3.266 4.144 . 0 0 "[ . 1 . 2]" 1
722 1 42 LEU QD 1 122 PHE HB2 . . 4.480 4.055 3.635 4.384 . 0 0 "[ . 1 . 2]" 1
723 1 42 LEU QD 1 122 PHE QD . . 4.830 4.210 3.854 4.615 . 0 0 "[ . 1 . 2]" 1
724 1 42 LEU MD1 1 50 PHE HA . . 4.110 2.810 2.534 3.220 . 0 0 "[ . 1 . 2]" 1
725 1 42 LEU MD1 1 51 LEU H . . 4.730 3.793 3.512 4.163 . 0 0 "[ . 1 . 2]" 1
726 1 42 LEU MD1 1 66 ILE HA . . 4.250 2.934 2.003 3.596 . 0 0 "[ . 1 . 2]" 1
727 1 42 LEU MD1 1 67 LYS H . . 4.450 3.427 2.707 4.003 . 0 0 "[ . 1 . 2]" 1
728 1 42 LEU MD1 1 67 LYS HB3 . . 5.360 4.133 3.712 4.438 . 0 0 "[ . 1 . 2]" 1
729 1 42 LEU MD2 1 50 PHE HA . . 4.110 3.252 1.910 4.136 0.026 10 0 "[ . 1 . 2]" 1
730 1 42 LEU MD2 1 51 LEU H . . 4.730 4.160 3.186 4.794 0.064 14 0 "[ . 1 . 2]" 1
731 1 42 LEU MD2 1 66 ILE HA . . 4.250 3.224 2.428 3.711 . 0 0 "[ . 1 . 2]" 1
732 1 42 LEU MD2 1 67 LYS H . . 4.450 3.615 2.732 4.218 . 0 0 "[ . 1 . 2]" 1
733 1 42 LEU MD2 1 67 LYS HB3 . . 5.360 4.195 3.522 4.672 . 0 0 "[ . 1 . 2]" 1
734 1 42 LEU HG 1 49 THR HB . . 5.090 3.970 3.515 4.501 . 0 0 "[ . 1 . 2]" 1
735 1 42 LEU HG 1 51 LEU QD . . 3.960 3.032 2.078 3.848 . 0 0 "[ . 1 . 2]" 1
736 1 42 LEU HG 1 65 SER QB . . 5.110 4.010 3.524 4.532 . 0 0 "[ . 1 . 2]" 1
737 1 42 LEU HG 1 66 ILE HA . . 4.760 3.223 2.082 4.782 0.022 5 0 "[ . 1 . 2]" 1
738 1 43 ALA H 1 43 ALA MB . . 2.770 2.176 2.037 2.290 . 0 0 "[ . 1 . 2]" 1
739 1 43 ALA H 1 44 ASN H . . 4.800 2.607 2.186 2.821 . 0 0 "[ . 1 . 2]" 1
740 1 43 ALA H 1 45 ARG H . . 4.530 3.739 3.430 4.000 . 0 0 "[ . 1 . 2]" 1
741 1 43 ALA H 1 45 ARG QD . . 5.340 4.804 4.395 5.414 0.074 14 0 "[ . 1 . 2]" 1
742 1 43 ALA H 1 72 VAL QG . . 3.710 3.646 3.462 3.724 0.014 15 0 "[ . 1 . 2]" 1
743 1 43 ALA HA 1 45 ARG H . . 4.780 4.565 4.160 4.776 . 0 0 "[ . 1 . 2]" 1
744 1 43 ALA HA 1 67 LYS HD2 . . 5.500 4.495 4.200 5.118 . 0 0 "[ . 1 . 2]" 1
745 1 43 ALA HA 1 67 LYS HD3 . . 4.400 2.828 2.474 3.415 . 0 0 "[ . 1 . 2]" 1
746 1 43 ALA HA 1 72 VAL QG . . 4.100 3.515 3.107 3.899 . 0 0 "[ . 1 . 2]" 1
747 1 43 ALA MB 1 44 ASN H . . 4.220 2.397 2.033 3.028 . 0 0 "[ . 1 . 2]" 1
748 1 43 ALA MB 1 44 ASN HA . . 4.690 3.774 3.611 4.138 . 0 0 "[ . 1 . 2]" 1
749 1 43 ALA MB 1 44 ASN HB2 . . 4.450 4.221 3.989 4.470 0.020 14 0 "[ . 1 . 2]" 1
750 1 43 ALA MB 1 44 ASN HB3 . . 5.460 5.108 4.974 5.301 . 0 0 "[ . 1 . 2]" 1
751 1 43 ALA MB 1 44 ASN HD21 . . 4.530 3.708 3.008 4.523 . 0 0 "[ . 1 . 2]" 1
752 1 43 ALA MB 1 44 ASN QD . . 3.980 3.394 2.933 3.951 . 0 0 "[ . 1 . 2]" 1
753 1 43 ALA MB 1 44 ASN HD22 . . 4.530 4.038 3.556 4.485 . 0 0 "[ . 1 . 2]" 1
754 1 43 ALA MB 1 45 ARG H . . 4.570 4.341 4.071 4.595 0.025 18 0 "[ . 1 . 2]" 1
755 1 43 ALA MB 1 72 VAL QG . . 3.590 2.945 2.570 3.291 . 0 0 "[ . 1 . 2]" 1
756 1 44 ASN H 1 45 ARG H . . 4.430 2.539 1.795 2.748 . 0 0 "[ . 1 . 2]" 1
757 1 44 ASN HA 1 44 ASN QD . . 4.460 3.337 2.186 4.049 . 0 0 "[ . 1 . 2]" 1
758 1 44 ASN HA 1 44 ASN HD22 . . 5.110 4.143 3.562 4.687 . 0 0 "[ . 1 . 2]" 1
759 1 44 ASN HA 1 45 ARG H . . 3.550 3.517 3.434 3.552 0.002 5 0 "[ . 1 . 2]" 1
760 1 44 ASN HB2 1 45 ARG H . . 4.050 2.781 2.510 3.106 . 0 0 "[ . 1 . 2]" 1
761 1 44 ASN HB3 1 44 ASN QD . . 3.450 3.045 2.448 3.322 . 0 0 "[ . 1 . 2]" 1
762 1 44 ASN HB3 1 45 ARG H . . 4.320 3.588 3.225 3.940 . 0 0 "[ . 1 . 2]" 1
763 1 45 ARG H 1 45 ARG HB2 . . 3.740 2.299 2.123 2.772 . 0 0 "[ . 1 . 2]" 1
764 1 45 ARG H 1 45 ARG QB . . 3.070 2.264 2.084 2.681 . 0 0 "[ . 1 . 2]" 1
765 1 45 ARG H 1 45 ARG HB3 . . 3.740 3.488 3.038 3.582 . 0 0 "[ . 1 . 2]" 1
766 1 45 ARG H 1 45 ARG HD2 . . 4.180 2.525 1.984 3.798 . 0 0 "[ . 1 . 2]" 1
767 1 45 ARG H 1 45 ARG QD . . 3.650 2.290 1.963 3.516 . 0 0 "[ . 1 . 2]" 1
768 1 45 ARG H 1 45 ARG HD3 . . 4.180 2.983 1.998 4.149 . 0 0 "[ . 1 . 2]" 1
769 1 45 ARG H 1 45 ARG QG . . 4.290 3.268 1.880 3.976 . 0 0 "[ . 1 . 2]" 1
770 1 45 ARG H 1 46 SER H . . 4.790 4.277 3.050 4.622 . 0 0 "[ . 1 . 2]" 1
771 1 45 ARG H 1 49 THR HB . . 5.500 5.158 4.940 5.464 . 0 0 "[ . 1 . 2]" 1
772 1 45 ARG H 1 49 THR HG1 . . 5.500 5.388 5.227 5.518 0.018 6 0 "[ . 1 . 2]" 1
773 1 45 ARG QB 1 46 SER H . . 3.540 2.071 1.866 2.361 . 0 0 "[ . 1 . 2]" 1
774 1 45 ARG QB 1 46 SER QB . . 4.660 3.681 3.116 3.940 . 0 0 "[ . 1 . 2]" 1
775 1 45 ARG QB 1 49 THR HG1 . . 3.950 2.758 2.480 3.098 . 0 0 "[ . 1 . 2]" 1
776 1 45 ARG HB2 1 46 SER H . . 4.110 3.248 2.310 3.650 . 0 0 "[ . 1 . 2]" 1
777 1 45 ARG HB2 1 49 THR HB . . 3.800 3.270 2.614 3.753 . 0 0 "[ . 1 . 2]" 1
778 1 45 ARG HB2 1 49 THR MG . . 3.630 2.842 2.466 3.178 . 0 0 "[ . 1 . 2]" 1
779 1 45 ARG HB3 1 46 SER H . . 4.110 2.133 1.881 2.428 . 0 0 "[ . 1 . 2]" 1
780 1 45 ARG HB3 1 49 THR HB . . 3.800 3.662 2.872 3.845 0.045 14 0 "[ . 1 . 2]" 1
781 1 45 ARG HB3 1 49 THR MG . . 3.630 2.826 2.383 3.085 . 0 0 "[ . 1 . 2]" 1
782 1 45 ARG QD 1 46 SER H . . 4.890 4.351 3.759 4.657 . 0 0 "[ . 1 . 2]" 1
783 1 45 ARG QD 1 49 THR MG . . 4.150 3.748 2.903 4.136 . 0 0 "[ . 1 . 2]" 1
784 1 45 ARG HD2 1 49 THR MG . . 4.920 4.628 4.018 4.957 0.037 11 0 "[ . 1 . 2]" 1
785 1 45 ARG HD3 1 49 THR MG . . 4.920 4.021 2.971 4.718 . 0 0 "[ . 1 . 2]" 1
786 1 45 ARG QG 1 46 SER H . . 4.460 3.511 3.101 4.321 . 0 0 "[ . 1 . 2]" 1
787 1 45 ARG QG 1 49 THR HG1 . . 5.340 4.373 3.849 4.722 . 0 0 "[ . 1 . 2]" 1
788 1 45 ARG QG 1 49 THR MG . . 3.810 2.369 1.884 2.664 . 0 0 "[ . 1 . 2]" 1
789 1 46 SER H 1 46 SER HB2 . . 3.950 2.617 2.219 3.919 . 0 0 "[ . 1 . 2]" 1
790 1 46 SER H 1 46 SER QB . . 3.440 2.496 2.154 3.436 . 0 0 "[ . 1 . 2]" 1
791 1 46 SER H 1 46 SER HB3 . . 3.950 3.390 2.762 3.901 . 0 0 "[ . 1 . 2]" 1
792 1 46 SER H 1 49 THR H . . 5.500 4.946 3.974 5.464 . 0 0 "[ . 1 . 2]" 1
793 1 46 SER H 1 49 THR HB . . 5.290 4.814 3.413 5.298 0.008 8 0 "[ . 1 . 2]" 1
794 1 46 SER H 1 49 THR HG1 . . 3.790 3.236 2.448 3.662 . 0 0 "[ . 1 . 2]" 1
795 1 46 SER H 1 49 THR MG . . 4.640 4.316 3.828 4.570 . 0 0 "[ . 1 . 2]" 1
796 1 46 SER HA 1 47 ASP H . . 3.360 2.383 2.138 2.630 . 0 0 "[ . 1 . 2]" 1
797 1 46 SER QB 1 47 ASP H . . 3.700 2.747 1.983 3.514 . 0 0 "[ . 1 . 2]" 1
798 1 46 SER QB 1 49 THR HG1 . . 3.510 3.305 2.446 3.525 0.015 19 0 "[ . 1 . 2]" 1
799 1 46 SER QB 1 49 THR MG . . 5.140 4.803 4.016 5.198 0.058 15 0 "[ . 1 . 2]" 1
800 1 46 SER QB 1 120 PHE QE . . 4.080 2.698 2.229 3.468 . 0 0 "[ . 1 . 2]" 1
801 1 46 SER HB2 1 47 ASP H . . 4.270 3.751 2.341 4.237 . 0 0 "[ . 1 . 2]" 1
802 1 46 SER HB2 1 120 PHE QD . . 4.440 3.302 2.540 4.406 . 0 0 "[ . 1 . 2]" 1
803 1 46 SER HB2 1 120 PHE QE . . 4.750 3.479 2.609 4.741 . 0 0 "[ . 1 . 2]" 1
804 1 46 SER HB3 1 47 ASP H . . 4.270 2.893 1.994 3.753 . 0 0 "[ . 1 . 2]" 1
805 1 46 SER HB3 1 120 PHE QD . . 4.440 3.465 2.486 4.442 0.002 10 0 "[ . 1 . 2]" 1
806 1 46 SER HB3 1 120 PHE QE . . 4.750 2.948 2.383 4.339 . 0 0 "[ . 1 . 2]" 1
807 1 47 ASP H 1 47 ASP QB . . 3.500 2.533 2.221 2.901 . 0 0 "[ . 1 . 2]" 1
808 1 47 ASP H 1 48 GLY H . . 4.620 4.387 4.206 4.520 . 0 0 "[ . 1 . 2]" 1
809 1 47 ASP H 1 49 THR H . . 5.310 4.989 4.649 5.187 . 0 0 "[ . 1 . 2]" 1
810 1 47 ASP HA 1 48 GLY H . . 3.030 2.161 2.143 2.205 . 0 0 "[ . 1 . 2]" 1
811 1 47 ASP HA 1 48 GLY HA3 . . 4.470 4.399 4.391 4.424 . 0 0 "[ . 1 . 2]" 1
812 1 47 ASP HA 1 49 THR H . . 3.660 3.524 3.368 3.674 0.014 20 0 "[ . 1 . 2]" 1
813 1 47 ASP HA 1 67 LYS HB2 . . 5.500 5.070 4.710 5.304 . 0 0 "[ . 1 . 2]" 1
814 1 47 ASP HA 1 67 LYS HB3 . . 4.300 3.779 3.394 4.188 . 0 0 "[ . 1 . 2]" 1
815 1 47 ASP HA 1 67 LYS HD3 . . 5.500 5.341 5.043 5.509 0.009 1 0 "[ . 1 . 2]" 1
816 1 47 ASP HA 1 67 LYS HG2 . . 4.240 3.138 2.793 3.368 . 0 0 "[ . 1 . 2]" 1
817 1 47 ASP HA 1 67 LYS QG . . 3.720 2.702 2.325 2.911 . 0 0 "[ . 1 . 2]" 1
818 1 47 ASP HA 1 67 LYS HG3 . . 4.240 2.983 2.401 3.292 . 0 0 "[ . 1 . 2]" 1
819 1 47 ASP QB 1 48 GLY H . . 4.010 3.490 3.205 3.969 . 0 0 "[ . 1 . 2]" 1
820 1 47 ASP QB 1 48 GLY HA3 . . 4.700 4.327 4.147 4.592 . 0 0 "[ . 1 . 2]" 1
821 1 47 ASP QB 1 49 THR H . . 5.190 4.955 4.780 5.149 . 0 0 "[ . 1 . 2]" 1
822 1 48 GLY H 1 49 THR H . . 3.370 1.974 1.826 2.152 . 0 0 "[ . 1 . 2]" 1
823 1 48 GLY H 1 49 THR HB . . 4.680 4.282 4.083 4.458 . 0 0 "[ . 1 . 2]" 1
824 1 48 GLY H 1 49 THR HG1 . . 3.910 3.483 3.315 3.740 . 0 0 "[ . 1 . 2]" 1
825 1 48 GLY H 1 66 ILE HG12 . . 4.680 4.045 3.815 4.242 . 0 0 "[ . 1 . 2]" 1
826 1 48 GLY H 1 66 ILE HG13 . . 5.500 5.161 4.885 5.391 . 0 0 "[ . 1 . 2]" 1
827 1 48 GLY H 1 67 LYS H . . 4.710 3.875 3.737 4.019 . 0 0 "[ . 1 . 2]" 1
828 1 48 GLY H 1 67 LYS HB2 . . 5.150 4.558 4.262 4.699 . 0 0 "[ . 1 . 2]" 1
829 1 48 GLY H 1 67 LYS HB3 . . 4.330 2.899 2.581 3.095 . 0 0 "[ . 1 . 2]" 1
830 1 48 GLY H 1 67 LYS HG2 . . 4.460 3.698 3.400 3.875 . 0 0 "[ . 1 . 2]" 1
831 1 48 GLY H 1 67 LYS HG3 . . 4.460 3.097 2.679 3.421 . 0 0 "[ . 1 . 2]" 1
832 1 48 GLY H 1 116 THR MG . . 5.500 5.500 5.434 5.539 0.039 10 0 "[ . 1 . 2]" 1
833 1 48 GLY HA3 1 49 THR HG1 . . 5.240 4.621 4.444 4.789 . 0 0 "[ . 1 . 2]" 1
834 1 48 GLY HA3 1 66 ILE MD . . 4.990 4.627 4.443 4.844 . 0 0 "[ . 1 . 2]" 1
835 1 48 GLY HA3 1 66 ILE HG13 . . 4.990 4.816 4.668 5.008 0.018 9 0 "[ . 1 . 2]" 1
836 1 48 GLY HA3 1 116 THR HG1 . . 5.500 4.904 4.616 5.312 . 0 0 "[ . 1 . 2]" 1
837 1 48 GLY HA3 1 116 THR MG . . 4.820 4.702 4.519 4.841 0.021 13 0 "[ . 1 . 2]" 1
838 1 48 GLY HA3 1 119 GLN HB2 . . 4.300 2.345 2.077 2.659 . 0 0 "[ . 1 . 2]" 1
839 1 48 GLY HA3 1 119 GLN HB3 . . 4.350 3.450 3.137 3.831 . 0 0 "[ . 1 . 2]" 1
840 1 48 GLY HA3 1 119 GLN QE . . 4.400 3.602 2.707 4.315 . 0 0 "[ . 1 . 2]" 1
841 1 48 GLY HA3 1 119 GLN QG . . 4.520 2.691 1.947 3.331 . 0 0 "[ . 1 . 2]" 1
842 1 48 GLY HA3 1 120 PHE QD . . 4.480 3.956 3.684 4.305 . 0 0 "[ . 1 . 2]" 1
843 1 49 THR H 1 49 THR HB . . 3.230 2.659 2.608 2.698 . 0 0 "[ . 1 . 2]" 1
844 1 49 THR H 1 49 THR HG1 . . 2.720 1.906 1.849 1.986 . 0 0 "[ . 1 . 2]" 1
845 1 49 THR H 1 49 THR MG . . 3.820 3.764 3.757 3.772 . 0 0 "[ . 1 . 2]" 1
846 1 49 THR H 1 50 PHE H . . 5.060 4.631 4.625 4.637 . 0 0 "[ . 1 . 2]" 1
847 1 49 THR H 1 66 ILE HA . . 5.500 5.204 5.074 5.336 . 0 0 "[ . 1 . 2]" 1
848 1 49 THR H 1 66 ILE HG12 . . 4.270 3.987 3.878 4.225 . 0 0 "[ . 1 . 2]" 1
849 1 49 THR H 1 66 ILE HG13 . . 5.500 5.073 4.885 5.389 . 0 0 "[ . 1 . 2]" 1
850 1 49 THR H 1 67 LYS H . . 4.340 3.629 3.531 3.756 . 0 0 "[ . 1 . 2]" 1
851 1 49 THR H 1 67 LYS HB3 . . 3.680 3.096 2.957 3.209 . 0 0 "[ . 1 . 2]" 1
852 1 49 THR H 1 120 PHE H . . 5.010 4.645 4.415 4.816 . 0 0 "[ . 1 . 2]" 1
853 1 49 THR H 1 120 PHE HB2 . . 4.790 4.706 4.433 4.823 0.033 17 0 "[ . 1 . 2]" 1
854 1 49 THR H 1 120 PHE QD . . 4.070 3.616 3.052 3.973 . 0 0 "[ . 1 . 2]" 1
855 1 49 THR HA 1 49 THR HG1 . . 4.070 2.923 2.719 3.108 . 0 0 "[ . 1 . 2]" 1
856 1 49 THR HA 1 49 THR MG . . 3.310 2.307 2.164 2.385 . 0 0 "[ . 1 . 2]" 1
857 1 49 THR HA 1 50 PHE H . . 3.100 2.338 2.248 2.417 . 0 0 "[ . 1 . 2]" 1
858 1 49 THR HA 1 50 PHE HB3 . . 4.930 4.175 4.131 4.264 . 0 0 "[ . 1 . 2]" 1
859 1 49 THR HA 1 50 PHE QD . . 4.090 3.396 3.257 3.516 . 0 0 "[ . 1 . 2]" 1
860 1 49 THR HA 1 119 GLN H . . 4.960 4.344 4.145 4.505 . 0 0 "[ . 1 . 2]" 1
861 1 49 THR HA 1 120 PHE H . . 3.540 2.684 2.449 2.810 . 0 0 "[ . 1 . 2]" 1
862 1 49 THR HA 1 120 PHE HA . . 4.650 4.507 4.270 4.592 . 0 0 "[ . 1 . 2]" 1
863 1 49 THR HA 1 120 PHE HB2 . . 3.410 2.681 2.433 2.840 . 0 0 "[ . 1 . 2]" 1
864 1 49 THR HA 1 120 PHE HB3 . . 4.420 4.337 4.090 4.459 0.039 20 0 "[ . 1 . 2]" 1
865 1 49 THR HA 1 120 PHE QD . . 3.930 3.151 2.815 3.516 . 0 0 "[ . 1 . 2]" 1
866 1 49 THR HB 1 50 PHE H . . 4.010 3.592 3.424 3.805 . 0 0 "[ . 1 . 2]" 1
867 1 49 THR HB 1 67 LYS H . . 4.640 3.622 3.510 3.813 . 0 0 "[ . 1 . 2]" 1
868 1 49 THR HB 1 67 LYS HB2 . . 4.560 4.389 4.087 4.564 0.004 10 0 "[ . 1 . 2]" 1
869 1 49 THR HB 1 67 LYS HB3 . . 4.250 3.317 2.858 3.574 . 0 0 "[ . 1 . 2]" 1
870 1 49 THR HB 1 67 LYS QG . . 5.340 4.695 4.169 4.952 . 0 0 "[ . 1 . 2]" 1
871 1 49 THR HB 1 120 PHE HB2 . . 5.090 4.985 4.566 5.108 0.018 12 0 "[ . 1 . 2]" 1
872 1 49 THR HB 1 120 PHE QD . . 5.500 4.915 4.209 5.225 . 0 0 "[ . 1 . 2]" 1
873 1 49 THR HG1 1 49 THR MG . . 3.220 3.034 2.990 3.053 . 0 0 "[ . 1 . 2]" 1
874 1 49 THR HG1 1 50 PHE H . . 4.850 4.734 4.610 4.864 0.014 20 0 "[ . 1 . 2]" 1
875 1 49 THR HG1 1 67 LYS H . . 5.130 5.017 4.828 5.147 0.017 14 0 "[ . 1 . 2]" 1
876 1 49 THR HG1 1 120 PHE QD . . 4.410 3.016 2.349 3.453 . 0 0 "[ . 1 . 2]" 1
877 1 49 THR MG 1 50 PHE H . . 3.260 1.873 1.783 1.941 . 0 0 "[ . 1 . 2]" 1
878 1 49 THR MG 1 50 PHE HA . . 4.730 3.462 3.358 3.746 . 0 0 "[ . 1 . 2]" 1
879 1 49 THR MG 1 50 PHE HB3 . . 4.870 4.480 4.411 4.554 . 0 0 "[ . 1 . 2]" 1
880 1 49 THR MG 1 120 PHE H . . 4.750 4.262 4.026 4.441 . 0 0 "[ . 1 . 2]" 1
881 1 49 THR MG 1 120 PHE HA . . 5.280 4.852 4.580 5.016 . 0 0 "[ . 1 . 2]" 1
882 1 49 THR MG 1 120 PHE HB2 . . 3.370 2.961 2.601 3.142 . 0 0 "[ . 1 . 2]" 1
883 1 49 THR MG 1 120 PHE HB3 . . 4.240 4.175 3.899 4.264 0.024 16 0 "[ . 1 . 2]" 1
884 1 49 THR MG 1 120 PHE QD . . 4.540 4.003 3.681 4.212 . 0 0 "[ . 1 . 2]" 1
885 1 49 THR MG 1 121 PRO HA . . 4.710 3.836 3.672 3.970 . 0 0 "[ . 1 . 2]" 1
886 1 49 THR MG 1 122 PHE H . . 4.500 4.254 3.975 4.383 . 0 0 "[ . 1 . 2]" 1
887 1 49 THR MG 1 122 PHE HA . . 3.280 2.850 2.584 3.010 . 0 0 "[ . 1 . 2]" 1
888 1 49 THR MG 1 122 PHE HB2 . . 5.140 4.254 4.061 4.583 . 0 0 "[ . 1 . 2]" 1
889 1 50 PHE H 1 50 PHE HB3 . . 3.960 3.201 3.112 3.245 . 0 0 "[ . 1 . 2]" 1
890 1 50 PHE H 1 50 PHE QD . . 3.340 2.792 2.518 3.049 . 0 0 "[ . 1 . 2]" 1
891 1 50 PHE H 1 50 PHE QE . . 5.500 4.462 4.231 4.622 . 0 0 "[ . 1 . 2]" 1
892 1 50 PHE H 1 51 LEU QD . . 5.340 4.629 4.361 4.896 . 0 0 "[ . 1 . 2]" 1
893 1 50 PHE H 1 118 LEU QD . . 5.440 4.816 4.461 5.471 0.031 17 0 "[ . 1 . 2]" 1
894 1 50 PHE H 1 119 GLN H . . 5.500 5.173 4.916 5.367 . 0 0 "[ . 1 . 2]" 1
895 1 50 PHE H 1 120 PHE H . . 4.170 3.859 3.660 4.029 . 0 0 "[ . 1 . 2]" 1
896 1 50 PHE H 1 120 PHE HB2 . . 4.530 4.133 3.887 4.259 . 0 0 "[ . 1 . 2]" 1
897 1 50 PHE H 1 120 PHE HB3 . . 5.500 5.413 5.255 5.500 . 0 0 "[ . 1 . 2]" 1
898 1 50 PHE H 1 121 PRO HA . . 3.980 3.176 3.077 3.354 . 0 0 "[ . 1 . 2]" 1
899 1 50 PHE H 1 122 PHE H . . 5.440 4.633 4.391 4.797 . 0 0 "[ . 1 . 2]" 1
900 1 50 PHE H 1 122 PHE HA . . 4.920 4.284 4.092 4.644 . 0 0 "[ . 1 . 2]" 1
901 1 50 PHE HA 1 50 PHE QD . . 4.310 3.708 3.691 3.722 . 0 0 "[ . 1 . 2]" 1
902 1 50 PHE HA 1 51 LEU H . . 3.230 2.493 2.440 2.591 . 0 0 "[ . 1 . 2]" 1
903 1 50 PHE HA 1 51 LEU QD . . 4.870 3.777 2.771 3.946 . 0 0 "[ . 1 . 2]" 1
904 1 50 PHE HA 1 64 ILE MG . . 4.390 4.239 4.047 4.420 0.030 5 0 "[ . 1 . 2]" 1
905 1 50 PHE HA 1 66 ILE H . . 4.840 4.525 4.436 4.626 . 0 0 "[ . 1 . 2]" 1
906 1 50 PHE HA 1 66 ILE HA . . 3.500 2.180 1.997 2.322 . 0 0 "[ . 1 . 2]" 1
907 1 50 PHE HA 1 66 ILE HB . . 3.920 2.871 2.710 3.018 . 0 0 "[ . 1 . 2]" 1
908 1 50 PHE HA 1 66 ILE MD . . 5.110 5.053 4.882 5.139 0.029 6 0 "[ . 1 . 2]" 1
909 1 50 PHE HA 1 66 ILE HG12 . . 4.080 4.022 3.769 4.114 0.034 16 0 "[ . 1 . 2]" 1
910 1 50 PHE HA 1 66 ILE MG . . 4.440 4.181 4.020 4.285 . 0 0 "[ . 1 . 2]" 1
911 1 50 PHE HA 1 67 LYS H . . 4.020 3.817 3.603 3.985 . 0 0 "[ . 1 . 2]" 1
912 1 50 PHE HA 1 118 LEU QD . . 5.310 4.239 3.955 4.951 . 0 0 "[ . 1 . 2]" 1
913 1 50 PHE HB2 1 51 LEU H . . 3.520 2.376 2.188 2.477 . 0 0 "[ . 1 . 2]" 1
914 1 50 PHE HB2 1 64 ILE MG . . 3.510 2.743 2.599 2.869 . 0 0 "[ . 1 . 2]" 1
915 1 50 PHE HB2 1 66 ILE HA . . 4.310 3.597 3.360 3.816 . 0 0 "[ . 1 . 2]" 1
916 1 50 PHE HB2 1 66 ILE HB . . 4.090 2.462 2.194 2.649 . 0 0 "[ . 1 . 2]" 1
917 1 50 PHE HB2 1 66 ILE HG12 . . 4.910 4.737 4.479 4.914 0.004 4 0 "[ . 1 . 2]" 1
918 1 50 PHE HB2 1 66 ILE HG13 . . 4.740 4.345 4.097 4.575 . 0 0 "[ . 1 . 2]" 1
919 1 50 PHE HB2 1 66 ILE MG . . 3.830 3.552 3.368 3.771 . 0 0 "[ . 1 . 2]" 1
920 1 50 PHE HB2 1 118 LEU QD . . 3.970 2.475 2.169 3.340 . 0 0 "[ . 1 . 2]" 1
921 1 50 PHE HB2 1 119 GLN H . . 5.500 5.478 5.361 5.573 0.073 10 0 "[ . 1 . 2]" 1
922 1 50 PHE HB2 1 121 PRO HA . . 5.500 4.965 4.760 5.250 . 0 0 "[ . 1 . 2]" 1
923 1 50 PHE HB3 1 51 LEU H . . 4.130 3.809 3.680 3.879 . 0 0 "[ . 1 . 2]" 1
924 1 50 PHE HB3 1 66 ILE H . . 5.500 5.503 5.404 5.540 0.040 10 0 "[ . 1 . 2]" 1
925 1 50 PHE HB3 1 66 ILE HA . . 4.330 3.496 3.348 3.583 . 0 0 "[ . 1 . 2]" 1
926 1 50 PHE HB3 1 66 ILE HB . . 4.080 2.222 2.093 2.317 . 0 0 "[ . 1 . 2]" 1
927 1 50 PHE HB3 1 66 ILE HG12 . . 4.050 3.686 3.528 3.824 . 0 0 "[ . 1 . 2]" 1
928 1 50 PHE HB3 1 66 ILE HG13 . . 4.250 3.191 3.063 3.419 . 0 0 "[ . 1 . 2]" 1
929 1 50 PHE HB3 1 66 ILE MG . . 3.950 3.786 3.686 3.924 . 0 0 "[ . 1 . 2]" 1
930 1 50 PHE HB3 1 67 LYS H . . 4.910 4.689 4.495 4.843 . 0 0 "[ . 1 . 2]" 1
931 1 50 PHE HB3 1 118 LEU HA . . 4.890 3.013 2.798 3.181 . 0 0 "[ . 1 . 2]" 1
932 1 50 PHE HB3 1 118 LEU QD . . 3.850 2.518 2.074 3.395 . 0 0 "[ . 1 . 2]" 1
933 1 50 PHE HB3 1 119 GLN H . . 4.690 3.843 3.695 3.926 . 0 0 "[ . 1 . 2]" 1
934 1 50 PHE QD 1 51 LEU H . . 3.860 2.647 2.431 2.867 . 0 0 "[ . 1 . 2]" 1
935 1 50 PHE QD 1 51 LEU HA . . 4.620 3.206 3.038 3.458 . 0 0 "[ . 1 . 2]" 1
936 1 50 PHE QD 1 52 VAL QG . . 4.340 3.822 3.556 3.965 . 0 0 "[ . 1 . 2]" 1
937 1 50 PHE QD 1 64 ILE MG . . 3.580 2.609 2.105 2.938 . 0 0 "[ . 1 . 2]" 1
938 1 50 PHE QD 1 66 ILE MG . . 5.500 4.867 4.665 5.052 . 0 0 "[ . 1 . 2]" 1
939 1 50 PHE QD 1 99 VAL QG . . 4.460 3.280 2.969 3.587 . 0 0 "[ . 1 . 2]" 1
940 1 50 PHE QD 1 118 LEU HA . . 4.420 3.108 2.993 3.304 . 0 0 "[ . 1 . 2]" 1
941 1 50 PHE QD 1 118 LEU MD1 . . 4.390 3.160 2.765 3.909 . 0 0 "[ . 1 . 2]" 1
942 1 50 PHE QD 1 118 LEU QD . . 4.610 2.451 2.213 2.972 . 0 0 "[ . 1 . 2]" 1
943 1 50 PHE QD 1 118 LEU MD2 . . 4.390 2.561 2.261 3.085 . 0 0 "[ . 1 . 2]" 1
944 1 50 PHE QD 1 119 GLN H . . 3.840 3.114 2.966 3.285 . 0 0 "[ . 1 . 2]" 1
945 1 50 PHE QD 1 120 PHE H . . 3.240 2.500 2.355 2.705 . 0 0 "[ . 1 . 2]" 1
946 1 50 PHE QD 1 120 PHE HA . . 4.430 3.939 3.857 4.029 . 0 0 "[ . 1 . 2]" 1
947 1 50 PHE QD 1 120 PHE HB2 . . 5.000 4.564 4.441 4.771 . 0 0 "[ . 1 . 2]" 1
948 1 50 PHE QD 1 121 PRO HA . . 4.130 3.157 2.986 3.280 . 0 0 "[ . 1 . 2]" 1
949 1 50 PHE QE 1 52 VAL QG . . 4.300 3.659 3.392 3.896 . 0 0 "[ . 1 . 2]" 1
950 1 50 PHE QE 1 64 ILE MG . . 5.010 4.125 3.635 4.509 . 0 0 "[ . 1 . 2]" 1
951 1 50 PHE QE 1 99 VAL QG . . 3.520 1.982 1.799 2.302 . 0 0 "[ . 1 . 2]" 1
952 1 50 PHE QE 1 103 GLN QG . . 4.220 3.811 3.483 4.030 . 0 0 "[ . 1 . 2]" 1
953 1 50 PHE QE 1 118 LEU HA . . 4.590 4.346 4.255 4.479 . 0 0 "[ . 1 . 2]" 1
954 1 50 PHE QE 1 118 LEU HB2 . . 4.670 3.867 3.731 4.114 . 0 0 "[ . 1 . 2]" 1
955 1 50 PHE QE 1 118 LEU HB3 . . 4.720 2.705 2.588 2.829 . 0 0 "[ . 1 . 2]" 1
956 1 50 PHE QE 1 118 LEU QD . . 4.170 2.609 2.251 2.869 . 0 0 "[ . 1 . 2]" 1
957 1 50 PHE QE 1 119 GLN H . . 4.820 4.455 4.245 4.649 . 0 0 "[ . 1 . 2]" 1
958 1 50 PHE QE 1 119 GLN HA . . 5.500 5.095 4.829 5.421 . 0 0 "[ . 1 . 2]" 1
959 1 50 PHE QE 1 120 PHE H . . 3.990 3.623 3.337 3.982 . 0 0 "[ . 1 . 2]" 1
960 1 50 PHE QE 1 120 PHE HA . . 4.490 3.112 2.863 3.433 . 0 0 "[ . 1 . 2]" 1
961 1 50 PHE QE 1 121 PRO HA . . 3.990 2.935 2.820 3.010 . 0 0 "[ . 1 . 2]" 1
962 1 50 PHE QE 1 121 PRO HD2 . . 4.150 3.932 3.590 4.113 . 0 0 "[ . 1 . 2]" 1
963 1 50 PHE QE 1 121 PRO HD3 . . 4.090 2.568 2.154 2.803 . 0 0 "[ . 1 . 2]" 1
964 1 50 PHE QE 1 121 PRO HG3 . . 4.520 4.226 3.808 4.426 . 0 0 "[ . 1 . 2]" 1
965 1 50 PHE HZ 1 99 VAL QG . . 3.360 2.841 2.479 3.298 . 0 0 "[ . 1 . 2]" 1
966 1 50 PHE HZ 1 103 GLN HE21 . . 4.520 3.240 2.418 4.578 0.058 11 0 "[ . 1 . 2]" 1
967 1 50 PHE HZ 1 103 GLN QG . . 4.700 3.897 3.707 4.182 . 0 0 "[ . 1 . 2]" 1
968 1 50 PHE HZ 1 118 LEU HB2 . . 4.810 4.464 4.037 4.797 . 0 0 "[ . 1 . 2]" 1
969 1 50 PHE HZ 1 118 LEU HB3 . . 4.720 3.525 3.224 3.708 . 0 0 "[ . 1 . 2]" 1
970 1 50 PHE HZ 1 118 LEU QD . . 4.530 3.127 2.735 3.388 . 0 0 "[ . 1 . 2]" 1
971 1 50 PHE HZ 1 121 PRO HB2 . . 4.620 4.445 4.010 4.645 0.025 14 0 "[ . 1 . 2]" 1
972 1 50 PHE HZ 1 121 PRO HD3 . . 4.670 3.758 3.342 4.203 . 0 0 "[ . 1 . 2]" 1
973 1 50 PHE HZ 1 121 PRO HG3 . . 4.660 4.291 3.714 4.673 0.013 15 0 "[ . 1 . 2]" 1
974 1 51 LEU H 1 51 LEU HB3 . . 4.120 3.643 3.283 3.711 . 0 0 "[ . 1 . 2]" 1
975 1 51 LEU H 1 51 LEU MD1 . . 4.450 3.159 2.881 4.333 . 0 0 "[ . 1 . 2]" 1
976 1 51 LEU H 1 51 LEU QD . . 3.660 2.961 2.062 3.153 . 0 0 "[ . 1 . 2]" 1
977 1 51 LEU H 1 51 LEU MD2 . . 4.450 4.003 2.066 4.205 . 0 0 "[ . 1 . 2]" 1
978 1 51 LEU H 1 51 LEU HG . . 4.040 2.618 2.468 3.830 . 0 0 "[ . 1 . 2]" 1
979 1 51 LEU H 1 64 ILE MG . . 3.750 2.969 2.710 3.272 . 0 0 "[ . 1 . 2]" 1
980 1 51 LEU H 1 65 SER QB . . 4.220 4.056 3.816 4.235 0.015 13 0 "[ . 1 . 2]" 1
981 1 51 LEU H 1 66 ILE HB . . 4.880 4.203 4.034 4.326 . 0 0 "[ . 1 . 2]" 1
982 1 51 LEU H 1 118 LEU MD1 . . 5.470 5.274 4.948 5.467 . 0 0 "[ . 1 . 2]" 1
983 1 51 LEU H 1 118 LEU QD . . 4.650 4.042 3.711 4.608 . 0 0 "[ . 1 . 2]" 1
984 1 51 LEU H 1 118 LEU MD2 . . 5.470 4.223 3.803 5.033 . 0 0 "[ . 1 . 2]" 1
985 1 51 LEU HA 1 51 LEU MD1 . . 4.290 3.733 3.608 4.120 . 0 0 "[ . 1 . 2]" 1
986 1 51 LEU HA 1 51 LEU QD . . 3.770 3.412 3.272 3.449 . 0 0 "[ . 1 . 2]" 1
987 1 51 LEU HA 1 51 LEU MD2 . . 4.290 3.975 3.434 4.060 . 0 0 "[ . 1 . 2]" 1
988 1 51 LEU HA 1 52 VAL H . . 3.070 2.552 2.524 2.560 . 0 0 "[ . 1 . 2]" 1
989 1 51 LEU HA 1 52 VAL QG . . 4.200 3.880 3.841 3.945 . 0 0 "[ . 1 . 2]" 1
990 1 51 LEU HA 1 64 ILE MG . . 4.920 4.578 4.265 4.812 . 0 0 "[ . 1 . 2]" 1
991 1 51 LEU HA 1 122 PHE H . . 4.670 3.525 3.014 3.890 . 0 0 "[ . 1 . 2]" 1
992 1 51 LEU HA 1 122 PHE HB2 . . 4.920 3.657 3.029 3.937 . 0 0 "[ . 1 . 2]" 1
993 1 51 LEU HA 1 122 PHE HB3 . . 4.750 3.874 3.477 4.167 . 0 0 "[ . 1 . 2]" 1
994 1 51 LEU HB2 1 51 LEU MD1 . . 3.400 2.169 2.090 2.444 . 0 0 "[ . 1 . 2]" 1
995 1 51 LEU HB2 1 51 LEU QD . . 2.900 2.070 2.006 2.369 . 0 0 "[ . 1 . 2]" 1
996 1 51 LEU HB2 1 51 LEU MD2 . . 3.400 2.630 2.515 3.181 . 0 0 "[ . 1 . 2]" 1
997 1 51 LEU HB2 1 52 VAL H . . 3.660 2.105 2.078 2.266 . 0 0 "[ . 1 . 2]" 1
998 1 51 LEU HB2 1 52 VAL HA . . 4.940 4.327 4.262 4.753 . 0 0 "[ . 1 . 2]" 1
999 1 51 LEU HB2 1 122 PHE HB3 . . 4.780 3.995 2.926 4.213 . 0 0 "[ . 1 . 2]" 1
1000 1 51 LEU HB2 1 122 PHE QD . . 4.770 4.490 3.745 4.813 0.043 15 0 "[ . 1 . 2]" 1
1001 1 51 LEU HB3 1 51 LEU QD . . 3.030 2.106 1.986 2.199 . 0 0 "[ . 1 . 2]" 1
1002 1 51 LEU HB3 1 52 VAL H . . 4.260 3.426 3.359 3.736 . 0 0 "[ . 1 . 2]" 1
1003 1 51 LEU HB3 1 122 PHE HB2 . . 4.640 2.018 1.941 2.172 . 0 0 "[ . 1 . 2]" 1
1004 1 51 LEU HB3 1 122 PHE HB3 . . 4.820 3.229 3.070 3.509 . 0 0 "[ . 1 . 2]" 1
1005 1 51 LEU HB3 1 122 PHE QD . . 4.390 3.728 3.188 3.980 . 0 0 "[ . 1 . 2]" 1
1006 1 51 LEU HB3 1 123 LYS H . . 5.500 5.597 5.560 5.651 0.151 3 0 "[ . 1 . 2]" 1
1007 1 51 LEU QD 1 52 VAL H . . 3.600 3.106 2.978 3.447 . 0 0 "[ . 1 . 2]" 1
1008 1 51 LEU QD 1 52 VAL HA . . 3.880 3.440 3.175 3.877 . 0 0 "[ . 1 . 2]" 1
1009 1 51 LEU QD 1 52 VAL HB . . 5.440 4.817 4.692 5.114 . 0 0 "[ . 1 . 2]" 1
1010 1 51 LEU QD 1 53 ARG H . . 4.050 3.383 3.145 4.057 0.007 10 0 "[ . 1 . 2]" 1
1011 1 51 LEU QD 1 53 ARG HA . . 4.190 3.960 3.712 4.359 0.169 10 0 "[ . 1 . 2]" 1
1012 1 51 LEU QD 1 53 ARG QB . . 4.330 3.238 2.529 4.122 . 0 0 "[ . 1 . 2]" 1
1013 1 51 LEU QD 1 53 ARG QD . . 3.320 2.481 2.114 3.329 0.009 12 0 "[ . 1 . 2]" 1
1014 1 51 LEU QD 1 53 ARG HE . . 4.530 3.781 1.809 4.538 0.008 19 0 "[ . 1 . 2]" 1
1015 1 51 LEU QD 1 53 ARG QG . . 3.120 2.428 1.775 3.161 0.041 19 0 "[ . 1 . 2]" 1
1016 1 51 LEU QD 1 64 ILE HA . . 4.330 3.595 3.403 3.830 . 0 0 "[ . 1 . 2]" 1
1017 1 51 LEU QD 1 65 SER H . . 3.330 2.308 1.977 2.541 . 0 0 "[ . 1 . 2]" 1
1018 1 51 LEU QD 1 65 SER HA . . 5.170 4.179 3.757 4.459 . 0 0 "[ . 1 . 2]" 1
1019 1 51 LEU QD 1 65 SER QB . . 2.960 2.023 1.776 2.274 . 0 0 "[ . 1 . 2]" 1
1020 1 51 LEU QD 1 65 SER HG . . 4.560 4.235 3.903 4.479 . 0 0 "[ . 1 . 2]" 1
1021 1 51 LEU QD 1 66 ILE HA . . 5.440 4.512 3.747 4.786 . 0 0 "[ . 1 . 2]" 1
1022 1 51 LEU QD 1 122 PHE H . . 5.190 4.718 4.567 4.994 . 0 0 "[ . 1 . 2]" 1
1023 1 51 LEU QD 1 122 PHE HA . . 5.340 3.603 3.318 3.823 . 0 0 "[ . 1 . 2]" 1
1024 1 51 LEU QD 1 122 PHE HB2 . . 4.040 2.712 2.412 3.199 . 0 0 "[ . 1 . 2]" 1
1025 1 51 LEU QD 1 122 PHE HB3 . . 4.670 4.082 3.893 4.507 . 0 0 "[ . 1 . 2]" 1
1026 1 51 LEU QD 1 122 PHE QD . . 3.900 2.808 2.434 3.125 . 0 0 "[ . 1 . 2]" 1
1027 1 51 LEU MD1 1 52 VAL H . . 4.580 3.192 3.035 3.826 . 0 0 "[ . 1 . 2]" 1
1028 1 51 LEU MD1 1 65 SER H . . 4.820 2.446 2.017 4.640 . 0 0 "[ . 1 . 2]" 1
1029 1 51 LEU MD1 1 65 SER HB2 . . 4.890 2.804 1.793 3.599 . 0 0 "[ . 1 . 2]" 1
1030 1 51 LEU MD1 1 65 SER HB3 . . 4.890 2.514 1.928 4.791 . 0 0 "[ . 1 . 2]" 1
1031 1 51 LEU MD1 1 122 PHE HB2 . . 5.010 4.414 2.759 4.677 . 0 0 "[ . 1 . 2]" 1
1032 1 51 LEU MD2 1 52 VAL H . . 4.580 4.336 3.917 4.421 . 0 0 "[ . 1 . 2]" 1
1033 1 51 LEU MD2 1 65 SER H . . 4.820 4.663 1.979 4.851 0.031 9 0 "[ . 1 . 2]" 1
1034 1 51 LEU MD2 1 65 SER HB2 . . 4.890 4.454 1.802 4.919 0.029 5 0 "[ . 1 . 2]" 1
1035 1 51 LEU MD2 1 65 SER HB3 . . 4.890 3.708 3.074 4.800 . 0 0 "[ . 1 . 2]" 1
1036 1 51 LEU MD2 1 122 PHE HB2 . . 5.010 2.803 2.421 4.048 . 0 0 "[ . 1 . 2]" 1
1037 1 51 LEU HG 1 52 VAL H . . 4.700 4.467 2.869 4.623 . 0 0 "[ . 1 . 2]" 1
1038 1 51 LEU HG 1 65 SER H . . 3.780 3.701 3.526 3.831 0.051 13 0 "[ . 1 . 2]" 1
1039 1 51 LEU HG 1 65 SER QB . . 4.030 3.077 2.764 3.809 . 0 0 "[ . 1 . 2]" 1
1040 1 52 VAL H 1 52 VAL HB . . 3.530 2.501 2.453 2.575 . 0 0 "[ . 1 . 2]" 1
1041 1 52 VAL H 1 52 VAL QG . . 3.500 3.068 3.035 3.104 . 0 0 "[ . 1 . 2]" 1
1042 1 52 VAL H 1 53 ARG H . . 4.770 4.196 4.067 4.275 . 0 0 "[ . 1 . 2]" 1
1043 1 52 VAL H 1 64 ILE MG . . 5.400 5.252 5.015 5.405 0.005 5 0 "[ . 1 . 2]" 1
1044 1 52 VAL H 1 122 PHE HB3 . . 4.880 4.678 4.219 4.908 0.028 16 0 "[ . 1 . 2]" 1
1045 1 52 VAL HA 1 52 VAL MG1 . . 3.460 2.594 2.573 2.622 . 0 0 "[ . 1 . 2]" 1
1046 1 52 VAL HA 1 52 VAL QG . . 3.010 1.970 1.955 1.987 . 0 0 "[ . 1 . 2]" 1
1047 1 52 VAL HA 1 52 VAL MG2 . . 3.460 2.041 2.017 2.061 . 0 0 "[ . 1 . 2]" 1
1048 1 52 VAL HA 1 53 ARG H . . 3.290 2.146 2.141 2.167 . 0 0 "[ . 1 . 2]" 1
1049 1 52 VAL HA 1 53 ARG QG . . 4.620 3.694 3.429 3.957 . 0 0 "[ . 1 . 2]" 1
1050 1 52 VAL HA 1 64 ILE HA . . 3.620 2.769 2.581 2.960 . 0 0 "[ . 1 . 2]" 1
1051 1 52 VAL HA 1 64 ILE MD . . 5.250 4.979 4.739 5.182 . 0 0 "[ . 1 . 2]" 1
1052 1 52 VAL HA 1 64 ILE HG12 . . 5.110 3.615 3.272 3.903 . 0 0 "[ . 1 . 2]" 1
1053 1 52 VAL HA 1 64 ILE HG13 . . 5.110 4.012 3.753 4.405 . 0 0 "[ . 1 . 2]" 1
1054 1 52 VAL HA 1 64 ILE MG . . 4.180 4.010 3.709 4.185 0.005 4 0 "[ . 1 . 2]" 1
1055 1 52 VAL HA 1 65 SER H . . 4.030 3.869 3.652 4.040 0.010 6 0 "[ . 1 . 2]" 1
1056 1 52 VAL HB 1 53 ARG H . . 5.060 4.481 4.419 4.547 . 0 0 "[ . 1 . 2]" 1
1057 1 52 VAL HB 1 95 LEU MD1 . . 5.500 4.735 4.305 5.166 . 0 0 "[ . 1 . 2]" 1
1058 1 52 VAL HB 1 95 LEU QD . . 4.010 3.614 3.395 3.856 . 0 0 "[ . 1 . 2]" 1
1059 1 52 VAL HB 1 95 LEU MD2 . . 5.500 3.758 3.522 4.027 . 0 0 "[ . 1 . 2]" 1
1060 1 52 VAL QG 1 53 ARG H . . 3.580 2.765 2.596 2.956 . 0 0 "[ . 1 . 2]" 1
1061 1 52 VAL QG 1 62 PHE HA . . 4.730 4.000 3.669 4.297 . 0 0 "[ . 1 . 2]" 1
1062 1 52 VAL QG 1 62 PHE QB . . 3.650 2.707 2.408 3.025 . 0 0 "[ . 1 . 2]" 1
1063 1 52 VAL QG 1 62 PHE QD . . 3.920 2.235 1.917 2.465 . 0 0 "[ . 1 . 2]" 1
1064 1 52 VAL QG 1 62 PHE QE . . 4.510 3.082 2.841 3.336 . 0 0 "[ . 1 . 2]" 1
1065 1 52 VAL QG 1 63 ALA H . . 3.890 2.995 2.775 3.244 . 0 0 "[ . 1 . 2]" 1
1066 1 52 VAL QG 1 64 ILE HA . . 4.170 3.184 2.965 3.363 . 0 0 "[ . 1 . 2]" 1
1067 1 52 VAL QG 1 64 ILE MD . . 3.590 3.385 3.081 3.584 . 0 0 "[ . 1 . 2]" 1
1068 1 52 VAL QG 1 64 ILE QG . . 3.520 2.241 1.957 2.442 . 0 0 "[ . 1 . 2]" 1
1069 1 52 VAL QG 1 64 ILE MG . . 3.420 3.296 2.969 3.435 0.015 16 0 "[ . 1 . 2]" 1
1070 1 52 VAL QG 1 95 LEU QD . . 2.680 1.745 1.669 1.846 . 0 0 "[ . 1 . 2]" 1
1071 1 52 VAL QG 1 99 VAL HB . . 5.040 4.358 4.014 4.586 . 0 0 "[ . 1 . 2]" 1
1072 1 52 VAL QG 1 99 VAL QG . . 2.860 2.279 1.994 2.513 . 0 0 "[ . 1 . 2]" 1
1073 1 52 VAL MG1 1 53 ARG H . . 4.090 2.844 2.647 3.070 . 0 0 "[ . 1 . 2]" 1
1074 1 52 VAL MG1 1 63 ALA H . . 4.630 3.059 2.825 3.326 . 0 0 "[ . 1 . 2]" 1
1075 1 52 VAL MG1 1 64 ILE HA . . 5.240 4.665 4.476 4.805 . 0 0 "[ . 1 . 2]" 1
1076 1 52 VAL MG2 1 53 ARG H . . 4.090 3.776 3.720 3.867 . 0 0 "[ . 1 . 2]" 1
1077 1 52 VAL MG2 1 63 ALA H . . 4.630 4.286 4.054 4.521 . 0 0 "[ . 1 . 2]" 1
1078 1 52 VAL MG2 1 64 ILE HA . . 5.240 3.242 3.009 3.445 . 0 0 "[ . 1 . 2]" 1
1079 1 53 ARG H 1 53 ARG HD2 . . 5.310 4.719 4.055 5.135 . 0 0 "[ . 1 . 2]" 1
1080 1 53 ARG H 1 53 ARG QD . . 4.640 4.082 3.564 4.582 . 0 0 "[ . 1 . 2]" 1
1081 1 53 ARG H 1 53 ARG HD3 . . 5.310 4.513 3.746 5.258 . 0 0 "[ . 1 . 2]" 1
1082 1 53 ARG H 1 53 ARG HG2 . . 3.810 2.673 1.887 3.625 . 0 0 "[ . 1 . 2]" 1
1083 1 53 ARG H 1 53 ARG QG . . 3.240 2.230 1.871 2.746 . 0 0 "[ . 1 . 2]" 1
1084 1 53 ARG H 1 53 ARG HG3 . . 3.810 2.848 2.148 3.406 . 0 0 "[ . 1 . 2]" 1
1085 1 53 ARG H 1 54 GLN H . . 4.950 4.509 4.425 4.542 . 0 0 "[ . 1 . 2]" 1
1086 1 53 ARG H 1 62 PHE HA . . 5.310 4.933 4.684 5.268 . 0 0 "[ . 1 . 2]" 1
1087 1 53 ARG H 1 62 PHE QB . . 4.970 4.391 4.027 4.665 . 0 0 "[ . 1 . 2]" 1
1088 1 53 ARG H 1 62 PHE QD . . 5.120 4.169 3.877 4.645 . 0 0 "[ . 1 . 2]" 1
1089 1 53 ARG H 1 64 ILE HA . . 4.300 3.525 3.157 3.859 . 0 0 "[ . 1 . 2]" 1
1090 1 53 ARG H 1 65 SER H . . 4.550 4.084 3.680 4.430 . 0 0 "[ . 1 . 2]" 1
1091 1 53 ARG HA 1 53 ARG QD . . 4.830 4.064 3.513 4.506 . 0 0 "[ . 1 . 2]" 1
1092 1 53 ARG HA 1 54 GLN H . . 3.420 2.369 2.220 2.475 . 0 0 "[ . 1 . 2]" 1
1093 1 53 ARG HA 1 54 GLN HB2 . . 4.970 4.352 4.208 4.497 . 0 0 "[ . 1 . 2]" 1
1094 1 53 ARG QB 1 54 GLN H . . 3.540 2.517 2.256 2.873 . 0 0 "[ . 1 . 2]" 1
1095 1 53 ARG QB 1 63 ALA MB . . 4.690 3.049 1.957 4.228 . 0 0 "[ . 1 . 2]" 1
1096 1 53 ARG HB2 1 54 GLN H . . 4.060 3.100 2.596 3.518 . 0 0 "[ . 1 . 2]" 1
1097 1 53 ARG HB3 1 54 GLN H . . 4.060 3.071 2.286 3.970 . 0 0 "[ . 1 . 2]" 1
1098 1 53 ARG QD 1 63 ALA MB . . 5.180 3.821 3.093 4.601 . 0 0 "[ . 1 . 2]" 1
1099 1 53 ARG HE 1 63 ALA MB . . 5.230 4.228 3.044 5.165 . 0 0 "[ . 1 . 2]" 1
1100 1 53 ARG QG 1 63 ALA MB . . 3.480 2.826 1.881 3.485 0.005 15 0 "[ . 1 . 2]" 1
1101 1 54 GLN H 1 54 GLN HB2 . . 3.620 2.982 2.688 3.193 . 0 0 "[ . 1 . 2]" 1
1102 1 54 GLN H 1 54 GLN HB3 . . 3.780 2.619 2.436 2.818 . 0 0 "[ . 1 . 2]" 1
1103 1 54 GLN H 1 54 GLN HG2 . . 4.550 4.432 4.327 4.529 . 0 0 "[ . 1 . 2]" 1
1104 1 54 GLN H 1 54 GLN HG3 . . 4.780 4.696 4.507 4.823 0.043 16 0 "[ . 1 . 2]" 1
1105 1 54 GLN H 1 62 PHE QD . . 5.100 4.208 3.626 4.588 . 0 0 "[ . 1 . 2]" 1
1106 1 54 GLN HA 1 54 GLN HE21 . . 5.380 5.069 4.832 5.237 . 0 0 "[ . 1 . 2]" 1
1107 1 54 GLN HA 1 54 GLN HG3 . . 4.140 2.637 2.486 2.776 . 0 0 "[ . 1 . 2]" 1
1108 1 54 GLN HA 1 62 PHE H . . 5.230 4.721 4.324 4.939 . 0 0 "[ . 1 . 2]" 1
1109 1 54 GLN HA 1 62 PHE HA . . 3.900 2.126 1.992 2.365 . 0 0 "[ . 1 . 2]" 1
1110 1 54 GLN HA 1 62 PHE QD . . 4.080 2.992 2.460 3.380 . 0 0 "[ . 1 . 2]" 1
1111 1 54 GLN HA 1 62 PHE QE . . 4.580 4.197 3.714 4.526 . 0 0 "[ . 1 . 2]" 1
1112 1 54 GLN HB2 1 54 GLN HE21 . . 4.570 4.447 4.199 4.542 . 0 0 "[ . 1 . 2]" 1
1113 1 54 GLN HB2 1 54 GLN HE22 . . 4.900 4.738 4.488 4.875 . 0 0 "[ . 1 . 2]" 1
1114 1 54 GLN HB2 1 55 ARG H . . 4.590 3.879 3.777 4.033 . 0 0 "[ . 1 . 2]" 1
1115 1 54 GLN HB2 1 62 PHE HA . . 4.700 3.953 3.732 4.287 . 0 0 "[ . 1 . 2]" 1
1116 1 54 GLN HB2 1 62 PHE QD . . 4.210 3.072 2.524 3.368 . 0 0 "[ . 1 . 2]" 1
1117 1 54 GLN HB2 1 62 PHE QE . . 3.990 2.653 2.251 3.026 . 0 0 "[ . 1 . 2]" 1
1118 1 54 GLN HB3 1 54 GLN HE22 . . 4.820 4.454 4.137 4.774 . 0 0 "[ . 1 . 2]" 1
1119 1 54 GLN HB3 1 62 PHE QD . . 4.820 4.597 4.153 4.815 . 0 0 "[ . 1 . 2]" 1
1120 1 54 GLN HE21 1 59 ALA H . . 4.840 4.656 4.538 4.818 . 0 0 "[ . 1 . 2]" 1
1121 1 54 GLN HE21 1 59 ALA HA . . 4.420 2.031 1.887 2.468 . 0 0 "[ . 1 . 2]" 1
1122 1 54 GLN HE21 1 59 ALA MB . . 3.870 3.142 2.671 3.693 . 0 0 "[ . 1 . 2]" 1
1123 1 54 GLN HE22 1 54 GLN HG2 . . 4.030 3.522 3.439 3.710 . 0 0 "[ . 1 . 2]" 1
1124 1 54 GLN HE22 1 54 GLN HG3 . . 3.920 3.738 3.527 3.903 . 0 0 "[ . 1 . 2]" 1
1125 1 54 GLN HE22 1 59 ALA H . . 5.500 5.419 4.935 5.509 0.009 8 0 "[ . 1 . 2]" 1
1126 1 54 GLN HE22 1 59 ALA HA . . 4.400 2.922 2.314 3.322 . 0 0 "[ . 1 . 2]" 1
1127 1 54 GLN HE22 1 59 ALA MB . . 3.860 2.927 2.527 3.351 . 0 0 "[ . 1 . 2]" 1
1128 1 54 GLN HG2 1 59 ALA HA . . 4.330 3.846 3.384 4.167 . 0 0 "[ . 1 . 2]" 1
1129 1 54 GLN HG3 1 59 ALA HA . . 4.530 4.258 3.695 4.534 0.004 17 0 "[ . 1 . 2]" 1
1130 1 54 GLN HG3 1 62 PHE HA . . 4.910 3.595 3.321 3.952 . 0 0 "[ . 1 . 2]" 1
1131 1 54 GLN HG3 1 62 PHE QD . . 4.630 3.920 3.547 4.243 . 0 0 "[ . 1 . 2]" 1
1132 1 54 GLN HG3 1 62 PHE QE . . 4.480 3.873 3.369 4.351 . 0 0 "[ . 1 . 2]" 1
1133 1 55 ARG H 1 55 ARG QG . . 4.440 3.449 2.027 4.120 . 0 0 "[ . 1 . 2]" 1
1134 1 55 ARG H 1 62 PHE HA . . 4.760 3.478 3.051 3.796 . 0 0 "[ . 1 . 2]" 1
1135 1 55 ARG HA 1 56 VAL QG . . 4.020 3.386 3.213 3.626 . 0 0 "[ . 1 . 2]" 1
1136 1 56 VAL H 1 56 VAL MG1 . . 3.980 2.962 1.910 3.813 . 0 0 "[ . 1 . 2]" 1
1137 1 56 VAL H 1 56 VAL QG . . 3.400 2.092 1.847 2.646 . 0 0 "[ . 1 . 2]" 1
1138 1 56 VAL H 1 56 VAL MG2 . . 3.980 2.310 1.883 3.770 . 0 0 "[ . 1 . 2]" 1
1139 1 56 VAL H 1 57 LYS QB . . 4.350 4.080 3.886 4.414 0.064 13 0 "[ . 1 . 2]" 1
1140 1 56 VAL H 1 57 LYS HG2 . . 5.500 4.796 3.588 5.501 0.001 9 0 "[ . 1 . 2]" 1
1141 1 56 VAL H 1 57 LYS QG . . 4.790 4.053 2.943 4.577 . 0 0 "[ . 1 . 2]" 1
1142 1 56 VAL H 1 57 LYS HG3 . . 5.500 4.664 2.994 5.504 0.004 20 0 "[ . 1 . 2]" 1
1143 1 56 VAL HA 1 56 VAL MG1 . . 3.350 2.409 2.148 3.196 . 0 0 "[ . 1 . 2]" 1
1144 1 56 VAL HA 1 56 VAL QG . . 2.770 2.206 2.054 2.342 . 0 0 "[ . 1 . 2]" 1
1145 1 56 VAL HA 1 56 VAL MG2 . . 3.350 2.854 2.247 3.203 . 0 0 "[ . 1 . 2]" 1
1146 1 57 LYS HA 1 57 LYS QD . . 3.820 3.082 1.992 3.949 0.129 11 0 "[ . 1 . 2]" 1
1147 1 57 LYS HA 1 57 LYS HG2 . . 3.990 2.659 2.162 4.174 0.184 13 0 "[ . 1 . 2]" 1
1148 1 57 LYS HA 1 57 LYS QG . . 3.350 2.478 2.130 3.382 0.032 13 0 "[ . 1 . 2]" 1
1149 1 57 LYS HA 1 57 LYS HG3 . . 3.990 3.415 2.345 3.770 . 0 0 "[ . 1 . 2]" 1
1150 1 57 LYS QB 1 58 ASP QB . . 4.210 3.457 3.179 3.915 . 0 0 "[ . 1 . 2]" 1
1151 1 57 LYS QD 1 58 ASP H . . 4.920 4.550 2.246 4.924 0.004 14 0 "[ . 1 . 2]" 1
1152 1 57 LYS QE 1 57 LYS HG2 . . 3.810 2.685 2.108 3.246 . 0 0 "[ . 1 . 2]" 1
1153 1 57 LYS QE 1 57 LYS QG . . 3.280 2.196 2.042 2.419 . 0 0 "[ . 1 . 2]" 1
1154 1 57 LYS QE 1 57 LYS HG3 . . 3.810 2.582 2.175 3.448 . 0 0 "[ . 1 . 2]" 1
1155 1 57 LYS QG 1 58 ASP H . . 5.340 4.017 2.220 4.381 . 0 0 "[ . 1 . 2]" 1
1156 1 58 ASP HA 1 59 ALA MB . . 3.940 3.923 3.899 3.945 0.005 6 0 "[ . 1 . 2]" 1
1157 1 59 ALA H 1 59 ALA MB . . 3.250 2.061 2.025 2.147 . 0 0 "[ . 1 . 2]" 1
1158 1 60 ALA MB 1 79 THR H . . 5.500 4.982 4.289 5.462 . 0 0 "[ . 1 . 2]" 1
1159 1 60 ALA MB 1 79 THR HB . . 4.540 3.874 3.205 4.497 . 0 0 "[ . 1 . 2]" 1
1160 1 62 PHE H 1 62 PHE QD . . 4.570 3.609 3.120 4.036 . 0 0 "[ . 1 . 2]" 1
1161 1 62 PHE H 1 63 ALA H . . 4.570 4.419 4.368 4.498 . 0 0 "[ . 1 . 2]" 1
1162 1 62 PHE H 1 77 ILE MG . . 4.520 3.382 2.953 3.775 . 0 0 "[ . 1 . 2]" 1
1163 1 62 PHE HA 1 62 PHE QD . . 4.220 2.629 2.332 2.900 . 0 0 "[ . 1 . 2]" 1
1164 1 62 PHE HA 1 62 PHE QE . . 4.970 4.421 4.330 4.531 . 0 0 "[ . 1 . 2]" 1
1165 1 62 PHE HA 1 63 ALA MB . . 4.310 3.760 3.696 3.825 . 0 0 "[ . 1 . 2]" 1
1166 1 62 PHE HA 1 77 ILE HB . . 5.000 4.166 3.946 4.309 . 0 0 "[ . 1 . 2]" 1
1167 1 62 PHE QB 1 63 ALA H . . 3.490 2.183 2.072 2.393 . 0 0 "[ . 1 . 2]" 1
1168 1 62 PHE QB 1 63 ALA MB . . 5.280 4.179 4.138 4.266 . 0 0 "[ . 1 . 2]" 1
1169 1 62 PHE QB 1 77 ILE HB . . 3.460 2.542 2.229 2.722 . 0 0 "[ . 1 . 2]" 1
1170 1 62 PHE QB 1 77 ILE MD . . 3.150 1.983 1.754 2.316 . 0 0 "[ . 1 . 2]" 1
1171 1 62 PHE QB 1 77 ILE MG . . 3.980 2.839 2.571 3.031 . 0 0 "[ . 1 . 2]" 1
1172 1 62 PHE QB 1 95 LEU QD . . 3.610 2.492 2.146 2.919 . 0 0 "[ . 1 . 2]" 1
1173 1 62 PHE HB2 1 63 ALA H . . 4.040 3.607 3.487 3.790 . 0 0 "[ . 1 . 2]" 1
1174 1 62 PHE HB2 1 77 ILE HB . . 3.950 2.605 2.286 2.790 . 0 0 "[ . 1 . 2]" 1
1175 1 62 PHE HB2 1 77 ILE MD . . 3.610 2.223 2.009 2.560 . 0 0 "[ . 1 . 2]" 1
1176 1 62 PHE HB2 1 95 LEU MD1 . . 4.970 3.101 2.458 3.598 . 0 0 "[ . 1 . 2]" 1
1177 1 62 PHE HB2 1 95 LEU MD2 . . 4.970 3.525 3.115 4.282 . 0 0 "[ . 1 . 2]" 1
1178 1 62 PHE HB3 1 63 ALA H . . 4.040 2.201 2.087 2.420 . 0 0 "[ . 1 . 2]" 1
1179 1 62 PHE HB3 1 77 ILE HB . . 3.950 3.544 3.088 3.813 . 0 0 "[ . 1 . 2]" 1
1180 1 62 PHE HB3 1 77 ILE MD . . 3.610 2.250 1.886 2.643 . 0 0 "[ . 1 . 2]" 1
1181 1 62 PHE HB3 1 95 LEU MD1 . . 4.970 3.035 2.538 3.501 . 0 0 "[ . 1 . 2]" 1
1182 1 62 PHE HB3 1 95 LEU MD2 . . 4.970 3.179 2.529 3.869 . 0 0 "[ . 1 . 2]" 1
1183 1 62 PHE QD 1 63 ALA H . . 4.250 3.060 2.876 3.229 . 0 0 "[ . 1 . 2]" 1
1184 1 62 PHE QD 1 77 ILE HB . . 4.510 4.344 4.180 4.503 . 0 0 "[ . 1 . 2]" 1
1185 1 62 PHE QD 1 77 ILE MD . . 4.110 3.741 3.518 4.066 . 0 0 "[ . 1 . 2]" 1
1186 1 62 PHE QD 1 77 ILE MG . . 4.000 3.797 3.506 4.004 0.004 7 0 "[ . 1 . 2]" 1
1187 1 62 PHE QD 1 79 THR MG . . 3.660 3.501 3.243 3.662 0.002 3 0 "[ . 1 . 2]" 1
1188 1 62 PHE QD 1 95 LEU MD1 . . 4.450 3.630 2.721 4.203 . 0 0 "[ . 1 . 2]" 1
1189 1 62 PHE QD 1 95 LEU QD . . 3.890 2.929 2.385 3.314 . 0 0 "[ . 1 . 2]" 1
1190 1 62 PHE QD 1 95 LEU MD2 . . 4.450 3.107 2.637 3.541 . 0 0 "[ . 1 . 2]" 1
1191 1 62 PHE QE 1 79 THR MG . . 4.810 4.537 4.112 4.759 . 0 0 "[ . 1 . 2]" 1
1192 1 62 PHE QE 1 84 TYR QD . . 5.420 4.973 4.401 5.431 0.011 14 0 "[ . 1 . 2]" 1
1193 1 62 PHE QE 1 84 TYR QE . . 3.720 3.050 2.486 3.474 . 0 0 "[ . 1 . 2]" 1
1194 1 62 PHE QE 1 95 LEU QD . . 4.100 3.335 2.528 3.854 . 0 0 "[ . 1 . 2]" 1
1195 1 62 PHE HZ 1 95 LEU QD . . 5.150 3.962 3.423 4.613 . 0 0 "[ . 1 . 2]" 1
1196 1 63 ALA H 1 63 ALA MB . . 3.520 2.731 2.684 2.771 . 0 0 "[ . 1 . 2]" 1
1197 1 63 ALA H 1 77 ILE HB . . 4.640 4.299 4.065 4.411 . 0 0 "[ . 1 . 2]" 1
1198 1 63 ALA H 1 77 ILE MD . . 4.240 2.819 2.593 3.047 . 0 0 "[ . 1 . 2]" 1
1199 1 63 ALA H 1 77 ILE MG . . 5.320 5.247 4.932 5.337 0.017 4 0 "[ . 1 . 2]" 1
1200 1 63 ALA HA 1 64 ILE H . . 3.330 2.330 2.180 2.424 . 0 0 "[ . 1 . 2]" 1
1201 1 63 ALA HA 1 64 ILE HB . . 4.830 4.594 4.534 4.681 . 0 0 "[ . 1 . 2]" 1
1202 1 63 ALA HA 1 64 ILE MD . . 5.500 4.455 4.165 4.713 . 0 0 "[ . 1 . 2]" 1
1203 1 63 ALA HA 1 64 ILE QG . . 4.450 3.404 3.313 3.616 . 0 0 "[ . 1 . 2]" 1
1204 1 63 ALA HA 1 75 ILE H . . 4.580 4.453 4.215 4.580 0.000 5 0 "[ . 1 . 2]" 1
1205 1 63 ALA HA 1 76 LYS HA . . 3.890 2.991 2.629 3.378 . 0 0 "[ . 1 . 2]" 1
1206 1 63 ALA HA 1 77 ILE H . . 4.140 3.053 2.675 3.339 . 0 0 "[ . 1 . 2]" 1
1207 1 63 ALA HA 1 77 ILE HA . . 4.890 4.835 4.700 4.901 0.011 16 0 "[ . 1 . 2]" 1
1208 1 63 ALA HA 1 77 ILE MD . . 3.940 2.485 2.257 2.808 . 0 0 "[ . 1 . 2]" 1
1209 1 63 ALA HA 1 77 ILE QG . . 3.880 2.342 2.078 2.696 . 0 0 "[ . 1 . 2]" 1
1210 1 63 ALA HA 1 77 ILE MG . . 5.340 4.775 4.551 4.945 . 0 0 "[ . 1 . 2]" 1
1211 1 63 ALA HA 1 86 ILE MG . . 5.500 5.056 4.350 5.508 0.008 17 0 "[ . 1 . 2]" 1
1212 1 63 ALA MB 1 64 ILE H . . 3.230 2.626 2.373 3.040 . 0 0 "[ . 1 . 2]" 1
1213 1 63 ALA MB 1 64 ILE HA . . 4.610 4.022 3.895 4.209 . 0 0 "[ . 1 . 2]" 1
1214 1 63 ALA MB 1 74 HIS HA . . 4.810 4.619 4.390 4.805 . 0 0 "[ . 1 . 2]" 1
1215 1 63 ALA MB 1 74 HIS HB3 . . 4.140 3.639 3.449 3.835 . 0 0 "[ . 1 . 2]" 1
1216 1 63 ALA MB 1 75 ILE H . . 4.260 3.427 3.211 3.646 . 0 0 "[ . 1 . 2]" 1
1217 1 63 ALA MB 1 76 LYS HA . . 3.910 2.637 2.265 3.184 . 0 0 "[ . 1 . 2]" 1
1218 1 63 ALA MB 1 77 ILE H . . 4.360 3.487 3.199 3.717 . 0 0 "[ . 1 . 2]" 1
1219 1 63 ALA MB 1 77 ILE HB . . 4.830 4.584 4.428 4.715 . 0 0 "[ . 1 . 2]" 1
1220 1 63 ALA MB 1 77 ILE MD . . 4.010 3.746 3.556 3.908 . 0 0 "[ . 1 . 2]" 1
1221 1 64 ILE H 1 64 ILE HB . . 3.680 2.685 2.519 2.783 . 0 0 "[ . 1 . 2]" 1
1222 1 64 ILE H 1 64 ILE MD . . 4.190 3.781 3.501 4.074 . 0 0 "[ . 1 . 2]" 1
1223 1 64 ILE H 1 64 ILE HG12 . . 4.610 4.149 3.846 4.324 . 0 0 "[ . 1 . 2]" 1
1224 1 64 ILE H 1 64 ILE QG . . 4.000 2.797 2.470 2.955 . 0 0 "[ . 1 . 2]" 1
1225 1 64 ILE H 1 64 ILE HG13 . . 4.610 2.844 2.500 3.008 . 0 0 "[ . 1 . 2]" 1
1226 1 64 ILE H 1 64 ILE MG . . 4.140 3.864 3.797 3.902 . 0 0 "[ . 1 . 2]" 1
1227 1 64 ILE H 1 65 SER H . . 4.920 4.091 3.893 4.428 . 0 0 "[ . 1 . 2]" 1
1228 1 64 ILE H 1 75 ILE H . . 3.900 2.662 2.385 3.025 . 0 0 "[ . 1 . 2]" 1
1229 1 64 ILE H 1 75 ILE HB . . 4.460 2.916 2.629 3.225 . 0 0 "[ . 1 . 2]" 1
1230 1 64 ILE H 1 75 ILE MD . . 4.870 4.296 3.812 4.689 . 0 0 "[ . 1 . 2]" 1
1231 1 64 ILE H 1 75 ILE MG . . 4.530 3.907 3.488 4.119 . 0 0 "[ . 1 . 2]" 1
1232 1 64 ILE H 1 76 LYS HA . . 4.640 4.243 3.909 4.480 . 0 0 "[ . 1 . 2]" 1
1233 1 64 ILE H 1 77 ILE H . . 5.340 5.029 4.412 5.347 0.007 18 0 "[ . 1 . 2]" 1
1234 1 64 ILE H 1 77 ILE MD . . 3.990 3.463 2.900 3.866 . 0 0 "[ . 1 . 2]" 1
1235 1 64 ILE HA 1 64 ILE MD . . 4.170 3.885 3.860 3.897 . 0 0 "[ . 1 . 2]" 1
1236 1 64 ILE HA 1 64 ILE HG12 . . 4.230 2.733 2.634 2.836 . 0 0 "[ . 1 . 2]" 1
1237 1 64 ILE HA 1 64 ILE HG13 . . 4.230 2.810 2.710 2.950 . 0 0 "[ . 1 . 2]" 1
1238 1 64 ILE HA 1 64 ILE MG . . 3.330 2.368 2.262 2.450 . 0 0 "[ . 1 . 2]" 1
1239 1 64 ILE HA 1 65 SER H . . 3.060 2.164 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
1240 1 64 ILE HA 1 77 ILE MD . . 4.360 4.155 3.822 4.355 . 0 0 "[ . 1 . 2]" 1
1241 1 64 ILE HB 1 64 ILE MD . . 3.150 2.226 2.101 2.359 . 0 0 "[ . 1 . 2]" 1
1242 1 64 ILE HB 1 65 SER H . . 4.980 4.365 4.225 4.453 . 0 0 "[ . 1 . 2]" 1
1243 1 64 ILE HB 1 75 ILE H . . 4.490 3.760 3.455 4.136 . 0 0 "[ . 1 . 2]" 1
1244 1 64 ILE HB 1 75 ILE MD . . 4.030 2.920 2.526 3.349 . 0 0 "[ . 1 . 2]" 1
1245 1 64 ILE HB 1 118 LEU QD . . 4.960 4.124 3.973 4.287 . 0 0 "[ . 1 . 2]" 1
1246 1 64 ILE MD 1 64 ILE MG . . 2.590 2.257 2.056 2.458 . 0 0 "[ . 1 . 2]" 1
1247 1 64 ILE MD 1 75 ILE HB . . 4.100 3.500 3.038 4.080 . 0 0 "[ . 1 . 2]" 1
1248 1 64 ILE MD 1 77 ILE MD . . 2.950 2.145 1.966 2.445 . 0 0 "[ . 1 . 2]" 1
1249 1 64 ILE MD 1 77 ILE HG12 . . 4.300 3.111 2.869 3.317 . 0 0 "[ . 1 . 2]" 1
1250 1 64 ILE MD 1 77 ILE QG . . 3.640 2.933 2.757 3.113 . 0 0 "[ . 1 . 2]" 1
1251 1 64 ILE MD 1 77 ILE HG13 . . 4.300 3.602 3.293 3.933 . 0 0 "[ . 1 . 2]" 1
1252 1 64 ILE MD 1 77 ILE MG . . 4.370 4.177 3.912 4.378 0.008 8 0 "[ . 1 . 2]" 1
1253 1 64 ILE MD 1 99 VAL HA . . 3.930 3.542 3.166 3.830 . 0 0 "[ . 1 . 2]" 1
1254 1 64 ILE MD 1 99 VAL HB . . 5.360 5.066 4.703 5.336 . 0 0 "[ . 1 . 2]" 1
1255 1 64 ILE MD 1 99 VAL QG . . 3.450 2.442 2.141 2.643 . 0 0 "[ . 1 . 2]" 1
1256 1 64 ILE MD 1 102 TYR HB2 . . 5.250 4.520 3.737 4.859 . 0 0 "[ . 1 . 2]" 1
1257 1 64 ILE MD 1 102 TYR QD . . 4.700 2.943 2.395 3.345 . 0 0 "[ . 1 . 2]" 1
1258 1 64 ILE MD 1 118 LEU QD . . 3.340 3.116 2.891 3.277 . 0 0 "[ . 1 . 2]" 1
1259 1 64 ILE MG 1 65 SER H . . 3.280 3.046 2.598 3.233 . 0 0 "[ . 1 . 2]" 1
1260 1 64 ILE MG 1 65 SER HA . . 4.390 3.866 3.664 4.018 . 0 0 "[ . 1 . 2]" 1
1261 1 64 ILE MG 1 99 VAL MG1 . . 4.700 3.790 3.524 4.242 . 0 0 "[ . 1 . 2]" 1
1262 1 64 ILE MG 1 99 VAL QG . . 4.090 3.275 2.969 3.523 . 0 0 "[ . 1 . 2]" 1
1263 1 64 ILE MG 1 99 VAL MG2 . . 4.700 3.602 3.182 3.897 . 0 0 "[ . 1 . 2]" 1
1264 1 64 ILE MG 1 118 LEU QD . . 3.080 2.123 1.883 2.404 . 0 0 "[ . 1 . 2]" 1
1265 1 64 ILE MG 1 118 LEU HG . . 4.120 3.938 3.153 4.153 0.033 14 0 "[ . 1 . 2]" 1
1266 1 65 SER H 1 65 SER HB2 . . 3.990 2.662 2.461 2.864 . 0 0 "[ . 1 . 2]" 1
1267 1 65 SER H 1 65 SER QB . . 3.480 2.413 2.345 2.510 . 0 0 "[ . 1 . 2]" 1
1268 1 65 SER H 1 65 SER HB3 . . 3.990 2.934 2.535 3.706 . 0 0 "[ . 1 . 2]" 1
1269 1 65 SER H 1 65 SER HG . . 4.410 4.183 3.571 4.407 . 0 0 "[ . 1 . 2]" 1
1270 1 65 SER HA 1 65 SER HG . . 3.730 2.295 2.142 2.414 . 0 0 "[ . 1 . 2]" 1
1271 1 65 SER HA 1 66 ILE H . . 3.020 2.158 2.137 2.215 . 0 0 "[ . 1 . 2]" 1
1272 1 65 SER HA 1 66 ILE HA . . 4.920 4.407 4.391 4.444 . 0 0 "[ . 1 . 2]" 1
1273 1 65 SER HA 1 72 VAL QG . . 4.230 3.899 3.682 4.095 . 0 0 "[ . 1 . 2]" 1
1274 1 65 SER HA 1 73 LYS H . . 5.160 4.923 4.756 5.075 . 0 0 "[ . 1 . 2]" 1
1275 1 65 SER HA 1 73 LYS HB2 . . 4.780 4.740 4.530 4.810 0.030 6 0 "[ . 1 . 2]" 1
1276 1 65 SER HA 1 74 HIS H . . 5.500 4.606 4.492 4.682 . 0 0 "[ . 1 . 2]" 1
1277 1 65 SER HA 1 75 ILE H . . 4.530 3.501 3.234 3.762 . 0 0 "[ . 1 . 2]" 1
1278 1 65 SER HA 1 75 ILE MD . . 5.150 4.518 3.464 5.146 . 0 0 "[ . 1 . 2]" 1
1279 1 65 SER QB 1 72 VAL QG . . 3.610 3.302 2.508 3.626 0.016 17 0 "[ . 1 . 2]" 1
1280 1 65 SER QB 1 74 HIS HE1 . . 4.700 3.858 3.452 4.313 . 0 0 "[ . 1 . 2]" 1
1281 1 65 SER HB2 1 66 ILE H . . 4.420 4.297 4.088 4.437 0.017 1 0 "[ . 1 . 2]" 1
1282 1 65 SER HB3 1 66 ILE H . . 4.420 3.876 3.212 4.215 . 0 0 "[ . 1 . 2]" 1
1283 1 65 SER HG 1 66 ILE H . . 4.190 3.367 2.735 4.196 0.006 10 0 "[ . 1 . 2]" 1
1284 1 65 SER HG 1 72 VAL QG . . 4.180 2.869 2.255 4.055 . 0 0 "[ . 1 . 2]" 1
1285 1 65 SER HG 1 74 HIS HA . . 4.830 2.852 2.325 3.154 . 0 0 "[ . 1 . 2]" 1
1286 1 65 SER HG 1 74 HIS HE1 . . 4.010 3.409 3.083 3.979 . 0 0 "[ . 1 . 2]" 1
1287 1 65 SER HG 1 75 ILE H . . 5.080 4.632 3.561 5.087 0.007 2 0 "[ . 1 . 2]" 1
1288 1 66 ILE H 1 66 ILE HB . . 3.630 3.502 3.404 3.628 . 0 0 "[ . 1 . 2]" 1
1289 1 66 ILE H 1 66 ILE MD . . 3.570 3.542 3.452 3.585 0.015 5 0 "[ . 1 . 2]" 1
1290 1 66 ILE H 1 66 ILE HG12 . . 4.750 4.458 4.423 4.495 . 0 0 "[ . 1 . 2]" 1
1291 1 66 ILE H 1 66 ILE MG . . 4.290 2.065 1.989 2.159 . 0 0 "[ . 1 . 2]" 1
1292 1 66 ILE H 1 67 LYS H . . 4.690 4.378 4.311 4.422 . 0 0 "[ . 1 . 2]" 1
1293 1 66 ILE H 1 72 VAL HA . . 5.220 4.762 4.424 5.075 . 0 0 "[ . 1 . 2]" 1
1294 1 66 ILE H 1 72 VAL QG . . 3.780 3.283 2.766 3.631 . 0 0 "[ . 1 . 2]" 1
1295 1 66 ILE H 1 73 LYS H . . 3.720 3.391 3.224 3.634 . 0 0 "[ . 1 . 2]" 1
1296 1 66 ILE H 1 73 LYS HA . . 5.500 4.915 4.759 5.101 . 0 0 "[ . 1 . 2]" 1
1297 1 66 ILE H 1 73 LYS HB2 . . 3.920 3.521 3.328 3.825 . 0 0 "[ . 1 . 2]" 1
1298 1 66 ILE H 1 74 HIS HA . . 4.360 3.517 3.394 3.637 . 0 0 "[ . 1 . 2]" 1
1299 1 66 ILE H 1 74 HIS HB3 . . 5.500 5.468 5.345 5.534 0.034 14 0 "[ . 1 . 2]" 1
1300 1 66 ILE H 1 75 ILE H . . 5.240 5.135 4.910 5.255 0.015 6 0 "[ . 1 . 2]" 1
1301 1 66 ILE H 1 75 ILE MD . . 5.310 4.697 3.556 5.268 . 0 0 "[ . 1 . 2]" 1
1302 1 66 ILE H 1 118 LEU QD . . 5.440 5.343 5.216 5.460 0.020 8 0 "[ . 1 . 2]" 1
1303 1 66 ILE HA 1 66 ILE MD . . 3.800 3.568 3.534 3.606 . 0 0 "[ . 1 . 2]" 1
1304 1 66 ILE HA 1 66 ILE HG12 . . 3.710 2.642 2.606 2.681 . 0 0 "[ . 1 . 2]" 1
1305 1 66 ILE HA 1 66 ILE HG13 . . 3.940 3.658 3.641 3.712 . 0 0 "[ . 1 . 2]" 1
1306 1 66 ILE HA 1 67 LYS H . . 3.220 2.221 2.191 2.241 . 0 0 "[ . 1 . 2]" 1
1307 1 66 ILE HA 1 67 LYS HB3 . . 4.850 4.409 4.335 4.462 . 0 0 "[ . 1 . 2]" 1
1308 1 66 ILE HA 1 72 VAL QG . . 4.850 3.822 3.502 4.141 . 0 0 "[ . 1 . 2]" 1
1309 1 66 ILE HA 1 118 LEU QD . . 5.440 4.801 4.495 5.271 . 0 0 "[ . 1 . 2]" 1
1310 1 66 ILE HB 1 67 LYS H . . 4.380 3.775 3.703 3.828 . 0 0 "[ . 1 . 2]" 1
1311 1 66 ILE HB 1 118 LEU QD . . 4.050 3.094 2.828 3.501 . 0 0 "[ . 1 . 2]" 1
1312 1 66 ILE MD 1 67 LYS H . . 3.610 3.177 3.015 3.343 . 0 0 "[ . 1 . 2]" 1
1313 1 66 ILE MD 1 67 LYS HB3 . . 4.900 4.322 4.199 4.447 . 0 0 "[ . 1 . 2]" 1
1314 1 66 ILE MD 1 68 TYR H . . 4.200 3.322 3.092 3.560 . 0 0 "[ . 1 . 2]" 1
1315 1 66 ILE MD 1 68 TYR HA . . 4.020 3.510 3.378 3.683 . 0 0 "[ . 1 . 2]" 1
1316 1 66 ILE MD 1 68 TYR HB2 . . 3.930 2.129 2.034 2.232 . 0 0 "[ . 1 . 2]" 1
1317 1 66 ILE MD 1 68 TYR HB3 . . 4.310 1.970 1.848 2.054 . 0 0 "[ . 1 . 2]" 1
1318 1 66 ILE MD 1 68 TYR QD . . 4.730 3.332 3.189 3.418 . 0 0 "[ . 1 . 2]" 1
1319 1 66 ILE MD 1 72 VAL HA . . 5.380 4.274 3.953 4.508 . 0 0 "[ . 1 . 2]" 1
1320 1 66 ILE MD 1 73 LYS H . . 3.640 3.417 3.167 3.649 0.009 19 0 "[ . 1 . 2]" 1
1321 1 66 ILE MD 1 73 LYS HB2 . . 3.610 3.375 3.061 3.631 0.021 14 0 "[ . 1 . 2]" 1
1322 1 66 ILE MD 1 73 LYS HB3 . . 5.120 4.852 4.542 5.100 . 0 0 "[ . 1 . 2]" 1
1323 1 66 ILE MD 1 73 LYS HG2 . . 4.370 3.947 3.476 4.388 0.018 3 0 "[ . 1 . 2]" 1
1324 1 66 ILE MD 1 73 LYS HG3 . . 4.370 3.741 2.947 4.248 . 0 0 "[ . 1 . 2]" 1
1325 1 66 ILE HG12 1 66 ILE MG . . 3.160 3.150 3.145 3.162 0.002 3 0 "[ . 1 . 2]" 1
1326 1 66 ILE HG12 1 67 LYS H . . 3.240 2.049 1.960 2.207 . 0 0 "[ . 1 . 2]" 1
1327 1 66 ILE HG12 1 118 LEU QD . . 5.170 4.740 4.464 5.044 . 0 0 "[ . 1 . 2]" 1
1328 1 66 ILE HG13 1 66 ILE MG . . 2.770 2.584 2.537 2.606 . 0 0 "[ . 1 . 2]" 1
1329 1 66 ILE HG13 1 67 LYS H . . 4.080 3.775 3.699 3.913 . 0 0 "[ . 1 . 2]" 1
1330 1 66 ILE HG13 1 114 LEU QD . . 4.520 4.165 3.849 4.475 . 0 0 "[ . 1 . 2]" 1
1331 1 66 ILE HG13 1 118 LEU QD . . 4.520 3.621 3.415 3.942 . 0 0 "[ . 1 . 2]" 1
1332 1 66 ILE MG 1 68 TYR HB3 . . 4.680 4.059 3.835 4.299 . 0 0 "[ . 1 . 2]" 1
1333 1 66 ILE MG 1 118 LEU QD . . 3.190 3.056 2.936 3.188 . 0 0 "[ . 1 . 2]" 1
1334 1 67 LYS H 1 67 LYS HB2 . . 3.990 2.983 2.882 3.096 . 0 0 "[ . 1 . 2]" 1
1335 1 67 LYS H 1 67 LYS HB3 . . 3.500 2.292 2.240 2.335 . 0 0 "[ . 1 . 2]" 1
1336 1 67 LYS H 1 67 LYS QG . . 4.150 3.862 3.790 3.910 . 0 0 "[ . 1 . 2]" 1
1337 1 67 LYS H 1 68 TYR H . . 4.610 4.496 4.424 4.563 . 0 0 "[ . 1 . 2]" 1
1338 1 67 LYS H 1 72 VAL HA . . 4.830 4.589 4.509 4.732 . 0 0 "[ . 1 . 2]" 1
1339 1 67 LYS H 1 72 VAL QG . . 4.730 3.622 3.338 3.883 . 0 0 "[ . 1 . 2]" 1
1340 1 67 LYS HB2 1 72 VAL QG . . 3.550 2.173 1.943 2.429 . 0 0 "[ . 1 . 2]" 1
1341 1 67 LYS HB3 1 67 LYS HD3 . . 4.230 3.725 3.613 3.809 . 0 0 "[ . 1 . 2]" 1
1342 1 67 LYS HB3 1 68 TYR H . . 4.570 4.321 4.171 4.448 . 0 0 "[ . 1 . 2]" 1
1343 1 67 LYS HB3 1 72 VAL QG . . 4.090 3.588 3.345 3.812 . 0 0 "[ . 1 . 2]" 1
1344 1 67 LYS HD2 1 68 TYR H . . 3.420 2.426 2.167 2.675 . 0 0 "[ . 1 . 2]" 1
1345 1 67 LYS HD2 1 70 VAL HA . . 5.210 4.633 4.310 4.912 . 0 0 "[ . 1 . 2]" 1
1346 1 67 LYS HD2 1 71 GLU H . . 4.070 3.296 3.015 3.644 . 0 0 "[ . 1 . 2]" 1
1347 1 67 LYS HD2 1 72 VAL H . . 4.560 3.830 3.519 4.255 . 0 0 "[ . 1 . 2]" 1
1348 1 67 LYS HD3 1 68 TYR H . . 4.480 4.127 3.919 4.346 . 0 0 "[ . 1 . 2]" 1
1349 1 67 LYS HD3 1 72 VAL HA . . 4.360 4.104 3.726 4.322 . 0 0 "[ . 1 . 2]" 1
1350 1 67 LYS HD3 1 72 VAL QG . . 3.400 2.325 1.931 2.684 . 0 0 "[ . 1 . 2]" 1
1351 1 67 LYS QE 1 67 LYS QG . . 3.320 2.248 2.135 2.483 . 0 0 "[ . 1 . 2]" 1
1352 1 67 LYS QE 1 71 GLU H . . 3.910 2.380 2.050 2.819 . 0 0 "[ . 1 . 2]" 1
1353 1 67 LYS QE 1 71 GLU HA . . 4.690 3.341 3.020 4.060 . 0 0 "[ . 1 . 2]" 1
1354 1 67 LYS HE2 1 68 TYR H . . 4.740 3.537 2.663 4.135 . 0 0 "[ . 1 . 2]" 1
1355 1 67 LYS HE2 1 70 VAL H . . 4.390 3.067 2.627 3.680 . 0 0 "[ . 1 . 2]" 1
1356 1 67 LYS HE2 1 70 VAL HA . . 3.620 2.777 2.387 3.271 . 0 0 "[ . 1 . 2]" 1
1357 1 67 LYS HE2 1 71 GLU H . . 4.480 2.853 2.300 3.535 . 0 0 "[ . 1 . 2]" 1
1358 1 67 LYS HE3 1 68 TYR H . . 4.740 4.076 3.439 4.741 0.001 15 0 "[ . 1 . 2]" 1
1359 1 67 LYS HE3 1 70 VAL H . . 4.390 3.634 2.930 4.304 . 0 0 "[ . 1 . 2]" 1
1360 1 67 LYS HE3 1 70 VAL HA . . 3.620 2.622 2.033 3.623 0.003 5 0 "[ . 1 . 2]" 1
1361 1 67 LYS HE3 1 71 GLU H . . 4.480 2.869 2.101 4.410 . 0 0 "[ . 1 . 2]" 1
1362 1 67 LYS QG 1 68 TYR H . . 4.460 3.069 2.645 3.507 . 0 0 "[ . 1 . 2]" 1
1363 1 67 LYS QG 1 68 TYR HA . . 4.480 3.125 3.010 3.310 . 0 0 "[ . 1 . 2]" 1
1364 1 67 LYS QG 1 72 VAL QG . . 4.620 3.455 3.214 3.687 . 0 0 "[ . 1 . 2]" 1
1365 1 68 TYR H 1 68 TYR HB2 . . 3.890 3.770 3.724 3.816 . 0 0 "[ . 1 . 2]" 1
1366 1 68 TYR H 1 68 TYR HB3 . . 3.620 2.975 2.890 3.042 . 0 0 "[ . 1 . 2]" 1
1367 1 68 TYR H 1 69 ASN H . . 4.490 4.171 4.085 4.263 . 0 0 "[ . 1 . 2]" 1
1368 1 68 TYR H 1 71 GLU H . . 3.600 3.181 3.023 3.400 . 0 0 "[ . 1 . 2]" 1
1369 1 68 TYR H 1 72 VAL HA . . 3.740 2.917 2.814 3.044 . 0 0 "[ . 1 . 2]" 1
1370 1 68 TYR H 1 72 VAL MG1 . . 5.050 4.598 4.444 4.740 . 0 0 "[ . 1 . 2]" 1
1371 1 68 TYR H 1 72 VAL QG . . 4.110 3.739 3.467 3.930 . 0 0 "[ . 1 . 2]" 1
1372 1 68 TYR H 1 72 VAL MG2 . . 5.050 3.962 3.612 4.236 . 0 0 "[ . 1 . 2]" 1
1373 1 68 TYR H 1 73 LYS H . . 4.130 3.726 3.448 4.066 . 0 0 "[ . 1 . 2]" 1
1374 1 68 TYR HA 1 68 TYR QD . . 3.300 2.780 2.625 2.955 . 0 0 "[ . 1 . 2]" 1
1375 1 68 TYR HA 1 69 ASN H . . 2.980 2.201 2.175 2.251 . 0 0 "[ . 1 . 2]" 1
1376 1 68 TYR HA 1 69 ASN HB2 . . 4.750 4.475 4.429 4.532 . 0 0 "[ . 1 . 2]" 1
1377 1 68 TYR HA 1 69 ASN HB3 . . 5.490 5.119 5.083 5.168 . 0 0 "[ . 1 . 2]" 1
1378 1 68 TYR HA 1 70 VAL H . . 4.640 3.957 3.845 4.065 . 0 0 "[ . 1 . 2]" 1
1379 1 68 TYR HA 1 116 THR MG . . 4.960 4.250 4.044 4.603 . 0 0 "[ . 1 . 2]" 1
1380 1 68 TYR HB2 1 69 ASN H . . 3.830 3.783 3.641 3.833 0.003 9 0 "[ . 1 . 2]" 1
1381 1 68 TYR HB2 1 73 LYS QG . . 5.340 5.063 4.579 5.339 . 0 0 "[ . 1 . 2]" 1
1382 1 68 TYR HB2 1 116 THR MG . . 3.940 2.372 2.059 2.700 . 0 0 "[ . 1 . 2]" 1
1383 1 68 TYR HB3 1 69 ASN H . . 4.370 4.261 4.169 4.330 . 0 0 "[ . 1 . 2]" 1
1384 1 68 TYR HB3 1 73 LYS HG2 . . 4.920 4.101 3.483 4.910 . 0 0 "[ . 1 . 2]" 1
1385 1 68 TYR HB3 1 73 LYS QG . . 4.310 3.516 3.057 3.800 . 0 0 "[ . 1 . 2]" 1
1386 1 68 TYR HB3 1 73 LYS HG3 . . 4.920 3.877 3.281 4.367 . 0 0 "[ . 1 . 2]" 1
1387 1 68 TYR HB3 1 114 LEU QD . . 3.910 3.077 2.638 3.679 . 0 0 "[ . 1 . 2]" 1
1388 1 68 TYR HB3 1 116 THR MG . . 4.230 2.905 2.553 3.472 . 0 0 "[ . 1 . 2]" 1
1389 1 68 TYR QD 1 69 ASN H . . 3.860 2.491 2.172 2.814 . 0 0 "[ . 1 . 2]" 1
1390 1 68 TYR QD 1 69 ASN HA . . 4.740 4.047 3.743 4.243 . 0 0 "[ . 1 . 2]" 1
1391 1 68 TYR QD 1 69 ASN HB2 . . 3.970 3.237 3.076 3.280 . 0 0 "[ . 1 . 2]" 1
1392 1 68 TYR QD 1 69 ASN HB3 . . 4.240 4.183 3.970 4.251 0.011 3 0 "[ . 1 . 2]" 1
1393 1 68 TYR QD 1 69 ASN HD21 . . 4.210 4.203 3.957 4.230 0.020 17 0 "[ . 1 . 2]" 1
1394 1 68 TYR QD 1 73 LYS HE2 . . 4.460 3.680 2.323 4.473 0.013 17 0 "[ . 1 . 2]" 1
1395 1 68 TYR QD 1 73 LYS QE . . 3.860 3.238 1.889 3.741 . 0 0 "[ . 1 . 2]" 1
1396 1 68 TYR QD 1 73 LYS HE3 . . 4.460 3.852 1.999 4.477 0.017 5 0 "[ . 1 . 2]" 1
1397 1 68 TYR QD 1 73 LYS QG . . 4.360 2.890 2.249 3.363 . 0 0 "[ . 1 . 2]" 1
1398 1 68 TYR QD 1 114 LEU HA . . 3.490 3.111 2.862 3.484 . 0 0 "[ . 1 . 2]" 1
1399 1 68 TYR QD 1 114 LEU QD . . 3.540 2.297 1.802 3.196 . 0 0 "[ . 1 . 2]" 1
1400 1 68 TYR QD 1 116 THR MG . . 3.360 2.757 2.432 3.197 . 0 0 "[ . 1 . 2]" 1
1401 1 68 TYR QE 1 69 ASN H . . 4.910 3.882 3.629 4.155 . 0 0 "[ . 1 . 2]" 1
1402 1 68 TYR QE 1 69 ASN HB2 . . 4.030 3.137 2.914 3.213 . 0 0 "[ . 1 . 2]" 1
1403 1 68 TYR QE 1 69 ASN HB3 . . 4.570 4.346 4.070 4.465 . 0 0 "[ . 1 . 2]" 1
1404 1 68 TYR QE 1 114 LEU H . . 5.300 4.829 4.360 5.297 . 0 0 "[ . 1 . 2]" 1
1405 1 68 TYR QE 1 114 LEU HA . . 3.140 2.460 1.996 2.919 . 0 0 "[ . 1 . 2]" 1
1406 1 68 TYR QE 1 114 LEU QD . . 3.930 3.368 2.888 3.921 . 0 0 "[ . 1 . 2]" 1
1407 1 68 TYR QE 1 115 ASP H . . 4.080 2.300 1.966 2.903 . 0 0 "[ . 1 . 2]" 1
1408 1 68 TYR QE 1 115 ASP QB . . 4.620 3.396 2.947 4.614 . 0 0 "[ . 1 . 2]" 1
1409 1 68 TYR QE 1 116 THR H . . 5.040 4.420 3.973 4.871 . 0 0 "[ . 1 . 2]" 1
1410 1 68 TYR QE 1 116 THR MG . . 3.910 3.492 3.276 3.874 . 0 0 "[ . 1 . 2]" 1
1411 1 69 ASN H 1 69 ASN HA . . 2.910 2.277 2.273 2.284 . 0 0 "[ . 1 . 2]" 1
1412 1 69 ASN H 1 69 ASN HB2 . . 3.730 3.118 3.073 3.175 . 0 0 "[ . 1 . 2]" 1
1413 1 69 ASN H 1 69 ASN HB3 . . 3.960 3.861 3.842 3.880 . 0 0 "[ . 1 . 2]" 1
1414 1 69 ASN H 1 70 VAL H . . 3.770 2.712 2.656 2.776 . 0 0 "[ . 1 . 2]" 1
1415 1 69 ASN H 1 70 VAL HA . . 5.160 4.882 4.806 4.950 . 0 0 "[ . 1 . 2]" 1
1416 1 69 ASN H 1 70 VAL MG1 . . 4.540 4.374 4.198 4.458 . 0 0 "[ . 1 . 2]" 1
1417 1 69 ASN HA 1 69 ASN HD21 . . 4.470 2.122 1.998 2.351 . 0 0 "[ . 1 . 2]" 1
1418 1 69 ASN HA 1 69 ASN HD22 . . 4.740 3.349 3.303 3.443 . 0 0 "[ . 1 . 2]" 1
1419 1 69 ASN HA 1 70 VAL H . . 3.370 2.650 2.615 2.684 . 0 0 "[ . 1 . 2]" 1
1420 1 69 ASN HA 1 70 VAL HA . . 4.920 4.737 4.726 4.754 . 0 0 "[ . 1 . 2]" 1
1421 1 69 ASN HA 1 70 VAL MG1 . . 3.240 3.153 2.883 3.229 . 0 0 "[ . 1 . 2]" 1
1422 1 69 ASN HA 1 70 VAL MG2 . . 4.450 3.736 3.610 4.191 . 0 0 "[ . 1 . 2]" 1
1423 1 69 ASN HB2 1 69 ASN HD22 . . 3.980 3.627 3.579 3.654 . 0 0 "[ . 1 . 2]" 1
1424 1 69 ASN HB2 1 70 VAL H . . 4.660 4.607 4.593 4.623 . 0 0 "[ . 1 . 2]" 1
1425 1 69 ASN HB2 1 70 VAL MG1 . . 5.390 5.313 5.002 5.401 0.011 6 0 "[ . 1 . 2]" 1
1426 1 69 ASN HB2 1 70 VAL MG2 . . 5.500 4.980 4.879 5.307 . 0 0 "[ . 1 . 2]" 1
1427 1 69 ASN HB3 1 70 VAL H . . 4.300 4.298 4.280 4.315 0.015 18 0 "[ . 1 . 2]" 1
1428 1 69 ASN HB3 1 70 VAL MG1 . . 4.820 4.822 4.492 4.924 0.104 15 0 "[ . 1 . 2]" 1
1429 1 69 ASN HB3 1 71 GLU H . . 4.660 3.611 3.523 3.655 . 0 0 "[ . 1 . 2]" 1
1430 1 69 ASN HD21 1 70 VAL H . . 4.950 4.765 4.637 4.963 0.013 20 0 "[ . 1 . 2]" 1
1431 1 69 ASN HD21 1 70 VAL MG1 . . 4.700 4.595 4.457 4.704 0.004 15 0 "[ . 1 . 2]" 1
1432 1 69 ASN HD22 1 70 VAL MG1 . . 5.030 4.944 4.689 5.034 0.004 17 0 "[ . 1 . 2]" 1
1433 1 70 VAL H 1 70 VAL HB . . 3.990 3.916 3.780 3.958 . 0 0 "[ . 1 . 2]" 1
1434 1 70 VAL H 1 70 VAL MG1 . . 3.170 2.463 2.338 2.513 . 0 0 "[ . 1 . 2]" 1
1435 1 70 VAL H 1 70 VAL MG2 . . 3.830 3.459 3.401 3.635 . 0 0 "[ . 1 . 2]" 1
1436 1 70 VAL H 1 71 GLU H . . 3.150 2.834 2.801 2.890 . 0 0 "[ . 1 . 2]" 1
1437 1 70 VAL HA 1 70 VAL MG1 . . 3.160 2.490 2.439 2.671 . 0 0 "[ . 1 . 2]" 1
1438 1 70 VAL HA 1 70 VAL MG2 . . 3.310 3.173 3.125 3.186 . 0 0 "[ . 1 . 2]" 1
1439 1 70 VAL HA 1 71 GLU H . . 3.300 2.985 2.961 2.992 . 0 0 "[ . 1 . 2]" 1
1440 1 70 VAL HA 1 71 GLU QG . . 5.210 4.709 4.646 4.818 . 0 0 "[ . 1 . 2]" 1
1441 1 70 VAL HB 1 71 GLU H . . 4.660 4.521 4.501 4.592 . 0 0 "[ . 1 . 2]" 1
1442 1 70 VAL MG1 1 71 GLU H . . 4.300 4.209 4.060 4.248 . 0 0 "[ . 1 . 2]" 1
1443 1 70 VAL MG2 1 71 GLU H . . 3.920 3.430 3.356 3.462 . 0 0 "[ . 1 . 2]" 1
1444 1 70 VAL MG2 1 71 GLU HA . . 4.610 3.899 3.773 3.973 . 0 0 "[ . 1 . 2]" 1
1445 1 70 VAL MG2 1 71 GLU QG . . 4.100 2.301 2.242 2.408 . 0 0 "[ . 1 . 2]" 1
1446 1 71 GLU H 1 71 GLU HB2 . . 2.970 2.805 2.753 2.854 . 0 0 "[ . 1 . 2]" 1
1447 1 71 GLU H 1 71 GLU HB3 . . 3.810 3.765 3.742 3.789 . 0 0 "[ . 1 . 2]" 1
1448 1 71 GLU H 1 71 GLU QG . . 3.930 3.707 3.648 3.773 . 0 0 "[ . 1 . 2]" 1
1449 1 71 GLU H 1 72 VAL H . . 4.360 4.262 4.184 4.334 . 0 0 "[ . 1 . 2]" 1
1450 1 71 GLU HA 1 72 VAL H . . 2.730 2.211 2.167 2.293 . 0 0 "[ . 1 . 2]" 1
1451 1 71 GLU HA 1 72 VAL QG . . 4.710 3.414 3.256 3.580 . 0 0 "[ . 1 . 2]" 1
1452 1 71 GLU HB2 1 72 VAL H . . 4.380 4.237 4.071 4.339 . 0 0 "[ . 1 . 2]" 1
1453 1 71 GLU HB3 1 72 VAL H . . 3.540 3.080 2.793 3.268 . 0 0 "[ . 1 . 2]" 1
1454 1 71 GLU QG 1 72 VAL H . . 4.800 3.912 3.441 4.355 . 0 0 "[ . 1 . 2]" 1
1455 1 72 VAL H 1 72 VAL HB . . 3.150 2.537 2.428 2.634 . 0 0 "[ . 1 . 2]" 1
1456 1 72 VAL H 1 72 VAL MG1 . . 3.920 3.794 3.756 3.821 . 0 0 "[ . 1 . 2]" 1
1457 1 72 VAL H 1 72 VAL QG . . 3.030 2.314 2.119 2.513 . 0 0 "[ . 1 . 2]" 1
1458 1 72 VAL H 1 72 VAL MG2 . . 3.920 2.335 2.129 2.553 . 0 0 "[ . 1 . 2]" 1
1459 1 72 VAL H 1 73 LYS H . . 4.450 4.428 4.390 4.481 0.031 7 0 "[ . 1 . 2]" 1
1460 1 72 VAL HA 1 72 VAL MG1 . . 3.320 2.400 2.237 2.466 . 0 0 "[ . 1 . 2]" 1
1461 1 72 VAL HA 1 72 VAL MG2 . . 3.320 2.440 2.315 2.531 . 0 0 "[ . 1 . 2]" 1
1462 1 72 VAL HA 1 73 LYS H . . 2.930 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
1463 1 72 VAL HB 1 73 LYS H . . 4.610 4.243 4.128 4.341 . 0 0 "[ . 1 . 2]" 1
1464 1 72 VAL HB 1 74 HIS HE1 . . 4.690 4.103 3.875 4.391 . 0 0 "[ . 1 . 2]" 1
1465 1 72 VAL HB 1 74 HIS HE2 . . 4.790 3.016 2.497 3.947 . 0 0 "[ . 1 . 2]" 1
1466 1 72 VAL QG 1 73 LYS H . . 3.270 2.659 2.482 2.808 . 0 0 "[ . 1 . 2]" 1
1467 1 72 VAL QG 1 73 LYS HA . . 4.960 3.804 3.692 4.004 . 0 0 "[ . 1 . 2]" 1
1468 1 72 VAL QG 1 74 HIS HD2 . . 4.590 3.828 3.295 4.597 0.007 9 0 "[ . 1 . 2]" 1
1469 1 72 VAL QG 1 74 HIS HE1 . . 3.640 2.799 2.290 3.231 . 0 0 "[ . 1 . 2]" 1
1470 1 72 VAL QG 1 74 HIS HE2 . . 4.320 2.828 2.251 3.716 . 0 0 "[ . 1 . 2]" 1
1471 1 72 VAL MG1 1 73 LYS H . . 4.200 2.694 2.503 2.862 . 0 0 "[ . 1 . 2]" 1
1472 1 72 VAL MG1 1 74 HIS HE1 . . 5.090 2.819 2.297 3.274 . 0 0 "[ . 1 . 2]" 1
1473 1 72 VAL MG2 1 73 LYS H . . 4.200 4.107 3.980 4.193 . 0 0 "[ . 1 . 2]" 1
1474 1 72 VAL MG2 1 74 HIS HE1 . . 5.090 4.822 4.453 5.080 . 0 0 "[ . 1 . 2]" 1
1475 1 73 LYS H 1 73 LYS HB2 . . 3.320 2.629 2.539 2.810 . 0 0 "[ . 1 . 2]" 1
1476 1 73 LYS H 1 73 LYS QE . . 5.220 4.638 4.059 4.951 . 0 0 "[ . 1 . 2]" 1
1477 1 73 LYS H 1 73 LYS HG2 . . 3.840 2.356 1.938 2.964 . 0 0 "[ . 1 . 2]" 1
1478 1 73 LYS H 1 73 LYS QG . . 3.050 2.302 1.926 2.449 . 0 0 "[ . 1 . 2]" 1
1479 1 73 LYS H 1 73 LYS HG3 . . 3.840 3.508 2.610 3.770 . 0 0 "[ . 1 . 2]" 1
1480 1 73 LYS H 1 114 LEU QD . . 4.940 3.901 3.532 4.439 . 0 0 "[ . 1 . 2]" 1
1481 1 73 LYS HA 1 73 LYS HD2 . . 4.220 3.232 2.449 4.267 0.047 3 0 "[ . 1 . 2]" 1
1482 1 73 LYS HA 1 73 LYS QD . . 3.640 2.514 2.076 3.621 . 0 0 "[ . 1 . 2]" 1
1483 1 73 LYS HA 1 73 LYS HD3 . . 4.220 2.743 2.093 3.915 . 0 0 "[ . 1 . 2]" 1
1484 1 73 LYS HA 1 73 LYS QE . . 5.220 4.364 3.867 4.871 . 0 0 "[ . 1 . 2]" 1
1485 1 73 LYS HA 1 73 LYS HG2 . . 3.960 2.964 2.544 3.142 . 0 0 "[ . 1 . 2]" 1
1486 1 73 LYS HA 1 73 LYS HG3 . . 3.960 3.855 3.595 3.970 0.010 9 0 "[ . 1 . 2]" 1
1487 1 73 LYS HA 1 74 HIS H . . 3.270 2.418 2.301 2.505 . 0 0 "[ . 1 . 2]" 1
1488 1 73 LYS HA 1 74 HIS HA . . 5.250 4.501 4.437 4.537 . 0 0 "[ . 1 . 2]" 1
1489 1 73 LYS HA 1 74 HIS HB2 . . 5.000 4.777 4.691 4.848 . 0 0 "[ . 1 . 2]" 1
1490 1 73 LYS HA 1 74 HIS HD2 . . 4.380 2.441 2.176 3.054 . 0 0 "[ . 1 . 2]" 1
1491 1 73 LYS HB2 1 74 HIS HA . . 4.980 4.389 4.202 4.580 . 0 0 "[ . 1 . 2]" 1
1492 1 73 LYS HB2 1 114 LEU QD . . 3.260 2.245 1.932 2.795 . 0 0 "[ . 1 . 2]" 1
1493 1 73 LYS HB2 2 8 GLU QG . . 4.780 3.959 3.239 4.905 0.125 14 0 "[ . 1 . 2]" 1
1494 1 73 LYS HB3 1 73 LYS QG . . 2.560 2.438 2.372 2.484 . 0 0 "[ . 1 . 2]" 1
1495 1 73 LYS HB3 1 74 HIS H . . 4.060 2.469 2.284 2.703 . 0 0 "[ . 1 . 2]" 1
1496 1 73 LYS HB3 1 74 HIS HA . . 5.500 4.513 4.415 4.771 . 0 0 "[ . 1 . 2]" 1
1497 1 73 LYS HB3 1 114 LEU MD1 . . 5.100 2.774 2.063 3.501 . 0 0 "[ . 1 . 2]" 1
1498 1 73 LYS HB3 1 114 LEU QD . . 4.230 2.441 1.955 3.128 . 0 0 "[ . 1 . 2]" 1
1499 1 73 LYS HB3 1 114 LEU MD2 . . 5.100 3.074 1.973 3.823 . 0 0 "[ . 1 . 2]" 1
1500 1 73 LYS QD 1 114 LEU QD . . 4.140 2.924 1.893 3.803 . 0 0 "[ . 1 . 2]" 1
1501 1 73 LYS QE 1 114 LEU HA . . 5.340 3.862 2.729 4.822 . 0 0 "[ . 1 . 2]" 1
1502 1 73 LYS QE 1 114 LEU QD . . 3.770 2.924 1.802 3.739 . 0 0 "[ . 1 . 2]" 1
1503 1 73 LYS QG 1 114 LEU QD . . 3.360 2.044 1.820 2.813 . 0 0 "[ . 1 . 2]" 1
1504 1 74 HIS H 1 74 HIS HB2 . . 3.890 3.034 2.921 3.116 . 0 0 "[ . 1 . 2]" 1
1505 1 74 HIS H 1 74 HIS HD2 . . 4.070 2.612 2.356 3.058 . 0 0 "[ . 1 . 2]" 1
1506 1 74 HIS H 1 75 ILE H . . 4.570 4.322 4.244 4.421 . 0 0 "[ . 1 . 2]" 1
1507 1 74 HIS H 2 8 GLU QB . . 5.010 4.516 3.859 4.995 . 0 0 "[ . 1 . 2]" 1
1508 1 74 HIS H 2 8 GLU QG . . 4.140 2.781 2.300 4.151 0.011 9 0 "[ . 1 . 2]" 1
1509 1 74 HIS HA 1 74 HIS HD2 . . 5.090 4.024 3.846 4.349 . 0 0 "[ . 1 . 2]" 1
1510 1 74 HIS HA 1 75 ILE H . . 3.120 2.223 2.184 2.298 . 0 0 "[ . 1 . 2]" 1
1511 1 74 HIS HA 1 75 ILE HA . . 5.500 4.412 4.398 4.441 . 0 0 "[ . 1 . 2]" 1
1512 1 74 HIS HA 1 75 ILE HB . . 4.980 4.561 4.441 4.770 . 0 0 "[ . 1 . 2]" 1
1513 1 74 HIS HA 1 75 ILE MD . . 5.500 4.046 2.764 4.698 . 0 0 "[ . 1 . 2]" 1
1514 1 74 HIS HA 1 75 ILE QG . . 5.340 3.703 3.222 4.452 . 0 0 "[ . 1 . 2]" 1
1515 1 74 HIS HB2 1 75 ILE H . . 4.680 3.762 3.601 3.865 . 0 0 "[ . 1 . 2]" 1
1516 1 74 HIS HB2 2 8 GLU H . . 4.940 4.325 4.054 4.713 . 0 0 "[ . 1 . 2]" 1
1517 1 74 HIS HB3 1 75 ILE H . . 3.940 3.015 2.773 3.179 . 0 0 "[ . 1 . 2]" 1
1518 1 75 ILE H 1 75 ILE HB . . 3.490 2.693 2.584 2.815 . 0 0 "[ . 1 . 2]" 1
1519 1 75 ILE H 1 75 ILE MD . . 4.450 3.464 2.412 3.958 . 0 0 "[ . 1 . 2]" 1
1520 1 75 ILE H 1 75 ILE HG12 . . 4.440 4.264 3.905 4.455 0.015 5 0 "[ . 1 . 2]" 1
1521 1 75 ILE H 1 75 ILE QG . . 3.690 2.995 2.470 3.498 . 0 0 "[ . 1 . 2]" 1
1522 1 75 ILE H 1 75 ILE HG13 . . 4.440 3.067 2.497 3.657 . 0 0 "[ . 1 . 2]" 1
1523 1 75 ILE H 1 75 ILE MG . . 3.970 3.860 3.799 3.919 . 0 0 "[ . 1 . 2]" 1
1524 1 75 ILE HA 1 75 ILE MD . . 4.270 3.756 3.286 3.957 . 0 0 "[ . 1 . 2]" 1
1525 1 75 ILE HA 1 75 ILE MG . . 3.530 2.405 2.319 2.494 . 0 0 "[ . 1 . 2]" 1
1526 1 75 ILE HA 2 7 PTR HB3 . . 4.950 2.254 2.014 2.649 . 0 0 "[ . 1 . 2]" 1
1527 1 75 ILE HA 2 8 GLU H . . 4.440 2.981 2.629 3.305 . 0 0 "[ . 1 . 2]" 1
1528 1 75 ILE HA 2 8 GLU QB . . 3.800 3.422 3.050 3.928 0.128 14 0 "[ . 1 . 2]" 1
1529 1 75 ILE HB 1 75 ILE MD . . 3.340 2.265 2.133 2.353 . 0 0 "[ . 1 . 2]" 1
1530 1 75 ILE MD 1 75 ILE MG . . 3.020 2.456 2.015 3.116 0.096 4 0 "[ . 1 . 2]" 1
1531 1 75 ILE MD 1 111 PHE QB . . 5.110 4.303 3.133 5.127 0.017 4 0 "[ . 1 . 2]" 1
1532 1 75 ILE MD 1 111 PHE QD . . 4.290 3.027 2.008 4.268 . 0 0 "[ . 1 . 2]" 1
1533 1 75 ILE MD 1 111 PHE QE . . 4.160 2.706 1.933 3.791 . 0 0 "[ . 1 . 2]" 1
1534 1 75 ILE MD 2 8 GLU QB . . 3.810 3.657 3.174 4.008 0.198 14 0 "[ . 1 . 2]" 1
1535 1 75 ILE MD 2 8 GLU QG . . 4.290 3.429 2.492 4.140 . 0 0 "[ . 1 . 2]" 1
1536 1 75 ILE QG 1 76 LYS H . . 5.160 4.079 3.814 4.393 . 0 0 "[ . 1 . 2]" 1
1537 1 75 ILE QG 1 111 PHE QD . . 5.340 3.500 2.678 4.363 . 0 0 "[ . 1 . 2]" 1
1538 1 75 ILE QG 1 111 PHE QE . . 5.270 2.572 1.959 3.804 . 0 0 "[ . 1 . 2]" 1
1539 1 75 ILE QG 2 8 GLU H . . 4.320 3.520 2.941 3.822 . 0 0 "[ . 1 . 2]" 1
1540 1 75 ILE QG 2 8 GLU QB . . 3.370 2.366 1.953 2.876 . 0 0 "[ . 1 . 2]" 1
1541 1 75 ILE QG 2 8 GLU QG . . 4.250 2.632 1.729 3.096 . 0 0 "[ . 1 . 2]" 1
1542 1 75 ILE HG12 2 8 GLU H . . 4.940 4.224 3.507 4.942 0.002 17 0 "[ . 1 . 2]" 1
1543 1 75 ILE HG12 2 8 GLU HB2 . . 5.030 2.775 2.080 3.722 . 0 0 "[ . 1 . 2]" 1
1544 1 75 ILE HG12 2 8 GLU HB3 . . 5.030 3.949 3.067 4.736 . 0 0 "[ . 1 . 2]" 1
1545 1 75 ILE HG13 2 8 GLU H . . 4.940 3.922 2.979 4.407 . 0 0 "[ . 1 . 2]" 1
1546 1 75 ILE HG13 2 8 GLU HB2 . . 5.030 3.265 1.996 5.034 0.004 14 0 "[ . 1 . 2]" 1
1547 1 75 ILE HG13 2 8 GLU HB3 . . 5.030 4.435 3.580 4.949 . 0 0 "[ . 1 . 2]" 1
1548 1 75 ILE MG 1 76 LYS H . . 3.900 2.435 1.991 2.830 . 0 0 "[ . 1 . 2]" 1
1549 1 75 ILE MG 1 86 ILE HA . . 4.500 4.142 3.701 4.451 . 0 0 "[ . 1 . 2]" 1
1550 1 75 ILE MG 1 86 ILE HB . . 3.520 2.772 1.999 3.156 . 0 0 "[ . 1 . 2]" 1
1551 1 75 ILE MG 1 111 PHE QE . . 3.660 2.451 1.942 3.344 . 0 0 "[ . 1 . 2]" 1
1552 1 75 ILE MG 2 7 PTR HB3 . . 4.920 3.928 3.488 4.275 . 0 0 "[ . 1 . 2]" 1
1553 1 75 ILE MG 2 8 GLU H . . 4.750 4.383 4.015 4.747 . 0 0 "[ . 1 . 2]" 1
1554 1 75 ILE MG 2 8 GLU QB . . 3.710 3.495 3.332 3.704 . 0 0 "[ . 1 . 2]" 1
1555 1 75 ILE MG 2 8 GLU QG . . 4.690 4.242 1.921 4.716 0.026 5 0 "[ . 1 . 2]" 1
1556 1 76 LYS H 1 76 LYS QB . . 3.640 2.261 2.199 2.317 . 0 0 "[ . 1 . 2]" 1
1557 1 76 LYS H 2 7 PTR HB2 . . 4.410 2.975 2.363 3.344 . 0 0 "[ . 1 . 2]" 1
1558 1 76 LYS H 2 7 PTR HB3 . . 4.030 2.643 2.374 2.953 . 0 0 "[ . 1 . 2]" 1
1559 1 76 LYS HA 1 76 LYS QG . . 3.720 2.594 2.465 3.096 . 0 0 "[ . 1 . 2]" 1
1560 1 76 LYS HA 1 77 ILE HB . . 4.710 4.592 4.510 4.715 0.005 11 0 "[ . 1 . 2]" 1
1561 1 76 LYS HA 1 77 ILE QG . . 4.880 3.561 3.465 3.706 . 0 0 "[ . 1 . 2]" 1
1562 1 76 LYS QB 1 76 LYS QE . . 3.930 2.669 1.967 3.706 . 0 0 "[ . 1 . 2]" 1
1563 1 76 LYS QB 2 7 PTR HB3 . . 4.470 3.552 3.253 3.863 . 0 0 "[ . 1 . 2]" 1
1564 1 76 LYS HB2 1 76 LYS QE . . 4.510 3.205 2.145 4.410 . 0 0 "[ . 1 . 2]" 1
1565 1 76 LYS HB2 2 7 PTR HB2 . . 4.690 3.210 2.445 3.750 . 0 0 "[ . 1 . 2]" 1
1566 1 76 LYS HB2 2 7 PTR HB3 . . 5.300 3.912 3.601 4.224 . 0 0 "[ . 1 . 2]" 1
1567 1 76 LYS HB3 1 76 LYS QE . . 4.510 3.136 1.986 4.400 . 0 0 "[ . 1 . 2]" 1
1568 1 76 LYS HB3 2 7 PTR HB2 . . 4.690 3.262 2.578 3.905 . 0 0 "[ . 1 . 2]" 1
1569 1 76 LYS HB3 2 7 PTR HB3 . . 5.300 4.089 3.686 4.730 . 0 0 "[ . 1 . 2]" 1
1570 1 76 LYS QD 1 78 MET HG2 . . 4.170 3.743 2.596 4.175 0.005 18 0 "[ . 1 . 2]" 1
1571 1 76 LYS QD 1 78 MET HG3 . . 4.230 3.602 2.082 4.208 . 0 0 "[ . 1 . 2]" 1
1572 1 76 LYS QG 1 78 MET HG2 . . 4.550 4.113 3.169 4.519 . 0 0 "[ . 1 . 2]" 1
1573 1 76 LYS QG 1 78 MET HG3 . . 4.130 3.363 2.609 4.061 . 0 0 "[ . 1 . 2]" 1
1574 1 76 LYS HG2 1 77 ILE H . . 4.760 2.717 2.093 4.239 . 0 0 "[ . 1 . 2]" 1
1575 1 76 LYS HG3 1 77 ILE H . . 4.760 3.119 2.260 4.563 . 0 0 "[ . 1 . 2]" 1
1576 1 77 ILE H 1 77 ILE HB . . 4.080 2.588 2.508 2.675 . 0 0 "[ . 1 . 2]" 1
1577 1 77 ILE H 1 77 ILE MD . . 4.440 3.747 3.415 4.031 . 0 0 "[ . 1 . 2]" 1
1578 1 77 ILE H 1 77 ILE HG12 . . 4.980 4.009 3.736 4.186 . 0 0 "[ . 1 . 2]" 1
1579 1 77 ILE H 1 77 ILE QG . . 4.230 2.674 2.364 2.875 . 0 0 "[ . 1 . 2]" 1
1580 1 77 ILE H 1 77 ILE HG13 . . 4.980 2.717 2.387 2.937 . 0 0 "[ . 1 . 2]" 1
1581 1 77 ILE HA 1 77 ILE MD . . 3.960 3.871 3.822 3.902 . 0 0 "[ . 1 . 2]" 1
1582 1 77 ILE HA 1 77 ILE QG . . 3.670 2.442 2.373 2.511 . 0 0 "[ . 1 . 2]" 1
1583 1 77 ILE HA 1 77 ILE MG . . 3.310 2.366 2.293 2.446 . 0 0 "[ . 1 . 2]" 1
1584 1 77 ILE HA 1 78 MET HB2 . . 4.750 4.555 4.430 4.677 . 0 0 "[ . 1 . 2]" 1
1585 1 77 ILE HA 1 78 MET ME . . 4.440 3.785 3.266 4.433 . 0 0 "[ . 1 . 2]" 1
1586 1 77 ILE HA 1 78 MET HG3 . . 4.830 3.727 3.453 4.034 . 0 0 "[ . 1 . 2]" 1
1587 1 77 ILE HA 1 85 ARG H . . 5.060 4.466 4.213 4.675 . 0 0 "[ . 1 . 2]" 1
1588 1 77 ILE HA 1 86 ILE MG . . 3.430 2.728 2.037 3.199 . 0 0 "[ . 1 . 2]" 1
1589 1 77 ILE HA 1 98 LEU QD . . 5.250 4.326 3.902 4.763 . 0 0 "[ . 1 . 2]" 1
1590 1 77 ILE HB 1 77 ILE MD . . 3.160 2.302 2.186 2.425 . 0 0 "[ . 1 . 2]" 1
1591 1 77 ILE HB 1 95 LEU QD . . 4.650 4.078 3.725 4.560 . 0 0 "[ . 1 . 2]" 1
1592 1 77 ILE MD 1 77 ILE MG . . 2.660 2.154 1.964 2.329 . 0 0 "[ . 1 . 2]" 1
1593 1 77 ILE MD 1 84 TYR HB3 . . 4.670 4.049 3.551 4.487 . 0 0 "[ . 1 . 2]" 1
1594 1 77 ILE MD 1 84 TYR QD . . 4.240 3.653 3.155 4.143 . 0 0 "[ . 1 . 2]" 1
1595 1 77 ILE MD 1 84 TYR QE . . 5.500 4.985 4.460 5.503 0.003 11 0 "[ . 1 . 2]" 1
1596 1 77 ILE MD 1 95 LEU QD . . 2.940 2.085 1.777 2.426 . 0 0 "[ . 1 . 2]" 1
1597 1 77 ILE QG 1 78 MET H . . 4.910 4.038 3.881 4.293 . 0 0 "[ . 1 . 2]" 1
1598 1 77 ILE QG 1 86 ILE MG . . 2.860 2.515 1.890 2.872 0.012 4 0 "[ . 1 . 2]" 1
1599 1 77 ILE QG 1 98 LEU QD . . 4.640 2.881 2.470 3.234 . 0 0 "[ . 1 . 2]" 1
1600 1 77 ILE HG12 1 77 ILE MG . . 3.560 2.267 2.150 2.375 . 0 0 "[ . 1 . 2]" 1
1601 1 77 ILE HG13 1 77 ILE MG . . 3.560 3.179 3.162 3.198 . 0 0 "[ . 1 . 2]" 1
1602 1 77 ILE MG 1 78 MET H . . 3.760 2.247 1.869 3.025 . 0 0 "[ . 1 . 2]" 1
1603 1 77 ILE MG 1 84 TYR HA . . 3.760 3.020 2.747 3.248 . 0 0 "[ . 1 . 2]" 1
1604 1 77 ILE MG 1 84 TYR HB3 . . 3.580 2.432 2.001 2.681 . 0 0 "[ . 1 . 2]" 1
1605 1 77 ILE MG 1 84 TYR QD . . 3.160 2.426 2.146 2.833 . 0 0 "[ . 1 . 2]" 1
1606 1 77 ILE MG 1 85 ARG H . . 3.330 2.789 2.559 3.051 . 0 0 "[ . 1 . 2]" 1
1607 1 77 ILE MG 1 95 LEU HA . . 4.960 4.341 3.791 4.705 . 0 0 "[ . 1 . 2]" 1
1608 1 77 ILE MG 1 95 LEU QD . . 3.230 2.877 2.427 3.234 0.004 13 0 "[ . 1 . 2]" 1
1609 1 77 ILE MG 1 98 LEU QD . . 4.520 2.686 2.152 3.129 . 0 0 "[ . 1 . 2]" 1
1610 1 78 MET H 1 78 MET HB2 . . 4.150 2.545 2.372 2.748 . 0 0 "[ . 1 . 2]" 1
1611 1 78 MET H 1 78 MET ME . . 3.910 2.964 2.407 3.365 . 0 0 "[ . 1 . 2]" 1
1612 1 78 MET H 1 78 MET HG2 . . 4.440 4.052 3.554 4.370 . 0 0 "[ . 1 . 2]" 1
1613 1 78 MET H 1 78 MET HG3 . . 4.150 2.765 2.277 3.150 . 0 0 "[ . 1 . 2]" 1
1614 1 78 MET H 1 79 THR H . . 4.840 4.520 4.411 4.591 . 0 0 "[ . 1 . 2]" 1
1615 1 78 MET H 1 85 ARG H . . 4.190 3.103 2.730 3.344 . 0 0 "[ . 1 . 2]" 1
1616 1 78 MET H 1 85 ARG QG . . 4.880 4.076 3.543 4.528 . 0 0 "[ . 1 . 2]" 1
1617 1 78 MET H 1 86 ILE MG . . 4.460 3.904 3.304 4.363 . 0 0 "[ . 1 . 2]" 1
1618 1 78 MET HB2 1 79 THR H . . 3.910 3.750 3.436 3.912 0.002 12 0 "[ . 1 . 2]" 1
1619 1 78 MET HB2 1 85 ARG H . . 4.200 3.790 2.955 4.106 . 0 0 "[ . 1 . 2]" 1
1620 1 78 MET HB3 1 79 THR H . . 3.640 2.610 2.273 2.855 . 0 0 "[ . 1 . 2]" 1
1621 1 78 MET HB3 1 79 THR HA . . 5.000 4.362 4.251 4.493 . 0 0 "[ . 1 . 2]" 1
1622 1 78 MET HB3 1 79 THR MG . . 4.880 4.762 4.595 4.877 . 0 0 "[ . 1 . 2]" 1
1623 1 78 MET HB3 1 85 ARG H . . 5.450 5.128 4.308 5.449 . 0 0 "[ . 1 . 2]" 1
1624 1 78 MET ME 1 78 MET HG2 . . 3.700 3.340 3.109 3.387 . 0 0 "[ . 1 . 2]" 1
1625 1 78 MET ME 1 78 MET HG3 . . 3.220 2.287 2.066 2.452 . 0 0 "[ . 1 . 2]" 1
1626 1 78 MET ME 1 85 ARG QD . . 4.520 3.717 2.709 4.406 . 0 0 "[ . 1 . 2]" 1
1627 1 78 MET ME 1 85 ARG QG . . 3.670 2.884 2.055 3.616 . 0 0 "[ . 1 . 2]" 1
1628 1 78 MET ME 1 86 ILE HA . . 3.730 2.470 2.172 2.921 . 0 0 "[ . 1 . 2]" 1
1629 1 78 MET ME 1 87 THR H . . 4.050 3.813 3.003 4.052 0.002 8 0 "[ . 1 . 2]" 1
1630 1 78 MET HG2 1 79 THR H . . 4.340 4.134 3.788 4.340 0.000 7 0 "[ . 1 . 2]" 1
1631 1 78 MET HG3 1 79 THR H . . 4.870 4.754 4.639 4.877 0.007 16 0 "[ . 1 . 2]" 1
1632 1 79 THR H 1 79 THR HB . . 4.180 3.898 3.840 3.948 . 0 0 "[ . 1 . 2]" 1
1633 1 79 THR H 1 79 THR MG . . 3.720 3.147 2.949 3.377 . 0 0 "[ . 1 . 2]" 1
1634 1 79 THR H 1 80 ALA H . . 4.420 4.210 3.944 4.368 . 0 0 "[ . 1 . 2]" 1
1635 1 79 THR H 1 80 ALA HA . . 5.140 4.698 4.503 4.861 . 0 0 "[ . 1 . 2]" 1
1636 1 79 THR H 1 80 ALA MB . . 5.500 4.662 4.323 4.938 . 0 0 "[ . 1 . 2]" 1
1637 1 79 THR HA 1 79 THR MG . . 3.420 2.272 2.137 2.395 . 0 0 "[ . 1 . 2]" 1
1638 1 79 THR HA 1 80 ALA H . . 3.440 2.174 2.142 2.281 . 0 0 "[ . 1 . 2]" 1
1639 1 79 THR HA 1 80 ALA MB . . 4.280 3.937 3.797 4.035 . 0 0 "[ . 1 . 2]" 1
1640 1 79 THR HB 1 80 ALA H . . 4.230 3.197 2.713 3.603 . 0 0 "[ . 1 . 2]" 1
1641 1 79 THR HB 1 80 ALA MB . . 5.500 4.933 4.680 5.112 . 0 0 "[ . 1 . 2]" 1
1642 1 79 THR MG 1 80 ALA H . . 4.000 3.917 3.749 4.008 0.008 9 0 "[ . 1 . 2]" 1
1643 1 79 THR MG 1 82 GLY H . . 5.250 4.748 4.331 5.102 . 0 0 "[ . 1 . 2]" 1
1644 1 79 THR MG 1 84 TYR H . . 5.230 4.559 4.057 4.955 . 0 0 "[ . 1 . 2]" 1
1645 1 79 THR MG 1 84 TYR HA . . 3.800 2.689 2.277 2.980 . 0 0 "[ . 1 . 2]" 1
1646 1 79 THR MG 1 84 TYR HB2 . . 4.880 4.641 4.290 4.885 0.005 14 0 "[ . 1 . 2]" 1
1647 1 79 THR MG 1 85 ARG H . . 5.420 4.035 3.704 4.286 . 0 0 "[ . 1 . 2]" 1
1648 1 80 ALA H 1 80 ALA MB . . 3.270 2.422 2.200 2.543 . 0 0 "[ . 1 . 2]" 1
1649 1 80 ALA H 1 82 GLY H . . 4.770 3.477 2.581 4.051 . 0 0 "[ . 1 . 2]" 1
1650 1 80 ALA HA 1 81 GLU HA . . 4.590 4.503 4.375 4.549 . 0 0 "[ . 1 . 2]" 1
1651 1 80 ALA HA 1 81 GLU QG . . 4.250 4.122 3.784 4.260 0.010 10 0 "[ . 1 . 2]" 1
1652 1 80 ALA HA 1 82 GLY H . . 4.550 4.339 4.049 4.537 . 0 0 "[ . 1 . 2]" 1
1653 1 80 ALA HA 1 83 LEU H . . 5.470 4.962 3.992 5.389 . 0 0 "[ . 1 . 2]" 1
1654 1 80 ALA MB 1 81 GLU H . . 4.130 2.378 1.876 3.370 . 0 0 "[ . 1 . 2]" 1
1655 1 80 ALA MB 1 81 GLU HA . . 4.780 4.167 3.875 4.832 0.052 11 0 "[ . 1 . 2]" 1
1656 1 80 ALA MB 1 81 GLU HB2 . . 4.650 3.749 3.626 3.917 . 0 0 "[ . 1 . 2]" 1
1657 1 80 ALA MB 1 81 GLU QG . . 3.250 2.688 2.307 3.258 0.008 20 0 "[ . 1 . 2]" 1
1658 1 80 ALA MB 1 82 GLY H . . 4.670 4.337 3.680 4.702 0.032 16 0 "[ . 1 . 2]" 1
1659 1 80 ALA MB 1 83 LEU H . . 4.660 4.066 3.683 4.484 . 0 0 "[ . 1 . 2]" 1
1660 1 81 GLU H 1 81 GLU QG . . 4.540 2.688 2.584 2.902 . 0 0 "[ . 1 . 2]" 1
1661 1 81 GLU H 1 82 GLY H . . 4.100 2.909 2.305 3.140 . 0 0 "[ . 1 . 2]" 1
1662 1 81 GLU H 1 83 LEU H . . 4.120 3.250 2.851 3.968 . 0 0 "[ . 1 . 2]" 1
1663 1 81 GLU H 1 83 LEU HB2 . . 4.730 3.802 3.319 4.815 0.085 11 0 "[ . 1 . 2]" 1
1664 1 81 GLU H 1 83 LEU QD . . 4.880 3.540 2.200 4.568 . 0 0 "[ . 1 . 2]" 1
1665 1 81 GLU H 1 83 LEU HG . . 5.500 4.607 3.796 5.506 0.006 11 0 "[ . 1 . 2]" 1
1666 1 81 GLU HA 1 81 GLU QG . . 3.330 2.605 2.380 3.060 . 0 0 "[ . 1 . 2]" 1
1667 1 81 GLU HA 1 82 GLY H . . 3.370 2.773 2.658 3.139 . 0 0 "[ . 1 . 2]" 1
1668 1 81 GLU HA 1 82 GLY QA . . 4.570 4.002 3.975 4.092 . 0 0 "[ . 1 . 2]" 1
1669 1 81 GLU HA 1 83 LEU H . . 4.890 4.528 4.354 4.890 0.000 4 0 "[ . 1 . 2]" 1
1670 1 81 GLU HB2 1 83 LEU H . . 4.570 4.421 4.293 4.562 . 0 0 "[ . 1 . 2]" 1
1671 1 81 GLU HB2 1 83 LEU QD . . 4.280 2.650 2.405 2.840 . 0 0 "[ . 1 . 2]" 1
1672 1 81 GLU HB3 1 82 GLY H . . 4.880 4.440 4.401 4.463 . 0 0 "[ . 1 . 2]" 1
1673 1 81 GLU HB3 1 83 LEU QD . . 4.220 3.993 3.715 4.242 0.022 20 0 "[ . 1 . 2]" 1
1674 1 81 GLU QG 1 82 GLY H . . 5.270 4.543 4.346 4.864 . 0 0 "[ . 1 . 2]" 1
1675 1 81 GLU QG 1 83 LEU QD . . 4.510 3.973 3.687 4.351 . 0 0 "[ . 1 . 2]" 1
1676 1 82 GLY H 1 83 LEU H . . 3.310 2.378 1.858 2.553 . 0 0 "[ . 1 . 2]" 1
1677 1 82 GLY H 1 83 LEU HA . . 5.300 5.065 4.626 5.206 . 0 0 "[ . 1 . 2]" 1
1678 1 82 GLY H 1 83 LEU HB2 . . 4.740 4.569 3.978 4.751 0.011 6 0 "[ . 1 . 2]" 1
1679 1 82 GLY H 1 83 LEU QD . . 5.170 4.466 2.834 4.885 . 0 0 "[ . 1 . 2]" 1
1680 1 82 GLY H 1 83 LEU HG . . 5.500 4.816 4.421 5.488 . 0 0 "[ . 1 . 2]" 1
1681 1 83 LEU H 1 83 LEU HB2 . . 3.280 2.488 2.353 2.610 . 0 0 "[ . 1 . 2]" 1
1682 1 83 LEU H 1 83 LEU HB3 . . 3.760 3.686 3.602 3.761 0.001 7 0 "[ . 1 . 2]" 1
1683 1 83 LEU H 1 83 LEU MD1 . . 4.260 3.795 3.637 3.991 . 0 0 "[ . 1 . 2]" 1
1684 1 83 LEU H 1 83 LEU QD . . 3.600 3.311 2.079 3.636 0.036 9 0 "[ . 1 . 2]" 1
1685 1 83 LEU H 1 83 LEU MD2 . . 4.260 3.860 2.092 4.267 0.007 19 0 "[ . 1 . 2]" 1
1686 1 83 LEU H 1 83 LEU HG . . 4.200 3.258 2.890 4.176 . 0 0 "[ . 1 . 2]" 1
1687 1 83 LEU H 1 84 TYR QE . . 5.340 4.934 4.538 5.313 . 0 0 "[ . 1 . 2]" 1
1688 1 83 LEU HA 1 83 LEU MD1 . . 3.910 3.629 2.059 3.926 0.016 13 0 "[ . 1 . 2]" 1
1689 1 83 LEU HA 1 83 LEU QD . . 2.860 2.234 1.987 2.498 . 0 0 "[ . 1 . 2]" 1
1690 1 83 LEU HA 1 83 LEU MD2 . . 3.910 2.346 2.058 2.895 . 0 0 "[ . 1 . 2]" 1
1691 1 83 LEU HA 1 83 LEU HG . . 3.870 2.955 2.740 3.761 . 0 0 "[ . 1 . 2]" 1
1692 1 83 LEU HA 1 84 TYR H . . 3.190 2.377 2.164 2.599 . 0 0 "[ . 1 . 2]" 1
1693 1 83 LEU HA 1 84 TYR QD . . 3.870 2.683 2.450 2.963 . 0 0 "[ . 1 . 2]" 1
1694 1 83 LEU HA 1 84 TYR QE . . 4.660 3.641 3.232 4.053 . 0 0 "[ . 1 . 2]" 1
1695 1 83 LEU HA 1 94 GLY H . . 5.350 5.273 5.060 5.361 0.011 10 0 "[ . 1 . 2]" 1
1696 1 83 LEU HB2 1 83 LEU QD . . 2.960 2.140 2.006 2.322 . 0 0 "[ . 1 . 2]" 1
1697 1 83 LEU HB2 1 84 TYR H . . 4.190 3.758 3.291 4.192 0.002 2 0 "[ . 1 . 2]" 1
1698 1 83 LEU HB3 1 83 LEU QD . . 2.950 2.096 1.979 2.246 . 0 0 "[ . 1 . 2]" 1
1699 1 83 LEU HB3 1 84 TYR H . . 3.630 2.538 2.001 3.184 . 0 0 "[ . 1 . 2]" 1
1700 1 83 LEU QD 1 84 TYR H . . 3.610 3.136 2.791 3.569 . 0 0 "[ . 1 . 2]" 1
1701 1 83 LEU QD 1 84 TYR QD . . 4.670 3.927 3.559 4.289 . 0 0 "[ . 1 . 2]" 1
1702 1 83 LEU QD 1 84 TYR QE . . 5.440 4.750 4.071 5.156 . 0 0 "[ . 1 . 2]" 1
1703 1 83 LEU QD 1 92 PHE H . . 4.880 4.013 3.597 4.384 . 0 0 "[ . 1 . 2]" 1
1704 1 83 LEU QD 1 93 ARG H . . 4.250 4.155 4.012 4.264 0.014 8 0 "[ . 1 . 2]" 1
1705 1 83 LEU QD 1 93 ARG HA . . 3.050 1.962 1.877 2.120 . 0 0 "[ . 1 . 2]" 1
1706 1 83 LEU QD 1 93 ARG QB . . 3.610 3.224 2.759 3.547 . 0 0 "[ . 1 . 2]" 1
1707 1 83 LEU QD 1 93 ARG QD . . 4.310 3.562 2.346 4.341 0.031 14 0 "[ . 1 . 2]" 1
1708 1 83 LEU QD 1 94 GLY H . . 5.070 4.690 4.481 4.899 . 0 0 "[ . 1 . 2]" 1
1709 1 83 LEU HG 1 84 TYR H . . 5.170 4.670 4.407 4.975 . 0 0 "[ . 1 . 2]" 1
1710 1 84 TYR H 1 84 TYR HB2 . . 3.710 2.826 2.642 3.028 . 0 0 "[ . 1 . 2]" 1
1711 1 84 TYR H 1 84 TYR HB3 . . 4.080 3.845 3.702 3.982 . 0 0 "[ . 1 . 2]" 1
1712 1 84 TYR H 1 84 TYR QD . . 3.440 2.286 1.898 2.868 . 0 0 "[ . 1 . 2]" 1
1713 1 84 TYR H 1 84 TYR QE . . 4.950 4.428 4.028 4.940 . 0 0 "[ . 1 . 2]" 1
1714 1 84 TYR H 1 92 PHE HB2 . . 4.570 3.605 3.383 3.869 . 0 0 "[ . 1 . 2]" 1
1715 1 84 TYR H 1 92 PHE QD . . 5.090 4.701 4.561 4.852 . 0 0 "[ . 1 . 2]" 1
1716 1 84 TYR H 1 93 ARG HA . . 4.560 3.900 3.396 4.272 . 0 0 "[ . 1 . 2]" 1
1717 1 84 TYR HA 1 84 TYR QD . . 3.800 3.231 3.133 3.305 . 0 0 "[ . 1 . 2]" 1
1718 1 84 TYR HA 1 85 ARG H . . 2.900 2.145 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
1719 1 84 TYR HB2 1 85 ARG H . . 4.250 4.133 3.992 4.226 . 0 0 "[ . 1 . 2]" 1
1720 1 84 TYR HB2 1 92 PHE H . . 4.980 4.552 4.325 4.781 . 0 0 "[ . 1 . 2]" 1
1721 1 84 TYR HB2 1 92 PHE HB3 . . 4.670 4.305 4.180 4.482 . 0 0 "[ . 1 . 2]" 1
1722 1 84 TYR HB2 1 94 GLY H . . 4.810 4.470 4.002 4.818 0.008 17 0 "[ . 1 . 2]" 1
1723 1 84 TYR HB2 1 95 LEU HA . . 4.940 3.053 2.866 3.571 . 0 0 "[ . 1 . 2]" 1
1724 1 84 TYR HB2 1 95 LEU QD . . 4.920 4.112 3.812 4.491 . 0 0 "[ . 1 . 2]" 1
1725 1 84 TYR HB2 1 98 LEU HB2 . . 4.670 3.164 2.858 3.691 . 0 0 "[ . 1 . 2]" 1
1726 1 84 TYR HB2 1 98 LEU QD . . 3.700 2.499 1.941 3.383 . 0 0 "[ . 1 . 2]" 1
1727 1 84 TYR HB3 1 85 ARG H . . 3.920 3.370 3.271 3.460 . 0 0 "[ . 1 . 2]" 1
1728 1 84 TYR HB3 1 92 PHE HB2 . . 4.490 4.358 4.130 4.475 . 0 0 "[ . 1 . 2]" 1
1729 1 84 TYR HB3 1 92 PHE QD . . 5.390 4.956 4.468 5.323 . 0 0 "[ . 1 . 2]" 1
1730 1 84 TYR HB3 1 95 LEU HA . . 4.810 3.293 2.917 4.013 . 0 0 "[ . 1 . 2]" 1
1731 1 84 TYR HB3 1 98 LEU QD . . 3.640 2.479 2.078 3.195 . 0 0 "[ . 1 . 2]" 1
1732 1 84 TYR QD 1 85 ARG H . . 4.740 4.654 4.527 4.731 . 0 0 "[ . 1 . 2]" 1
1733 1 84 TYR QD 1 92 PHE HB2 . . 4.990 4.130 3.670 4.480 . 0 0 "[ . 1 . 2]" 1
1734 1 84 TYR QD 1 93 ARG H . . 5.490 4.926 4.513 5.179 . 0 0 "[ . 1 . 2]" 1
1735 1 84 TYR QD 1 93 ARG HA . . 4.470 4.119 3.496 4.476 0.006 17 0 "[ . 1 . 2]" 1
1736 1 84 TYR QD 1 94 GLY H . . 4.150 3.811 3.449 4.034 . 0 0 "[ . 1 . 2]" 1
1737 1 84 TYR QD 1 94 GLY HA2 . . 4.010 2.412 2.171 2.950 . 0 0 "[ . 1 . 2]" 1
1738 1 84 TYR QD 1 95 LEU H . . 4.700 3.270 2.872 3.806 . 0 0 "[ . 1 . 2]" 1
1739 1 84 TYR QD 1 95 LEU HA . . 3.890 3.417 3.099 3.811 . 0 0 "[ . 1 . 2]" 1
1740 1 84 TYR QD 1 95 LEU HB2 . . 3.490 2.735 2.353 3.389 . 0 0 "[ . 1 . 2]" 1
1741 1 84 TYR QD 1 95 LEU QD . . 3.550 2.750 2.198 3.381 . 0 0 "[ . 1 . 2]" 1
1742 1 84 TYR QE 1 93 ARG HA . . 5.500 5.267 4.471 5.507 0.007 17 0 "[ . 1 . 2]" 1
1743 1 84 TYR QE 1 94 GLY HA2 . . 3.490 2.280 2.021 2.656 . 0 0 "[ . 1 . 2]" 1
1744 1 84 TYR QE 1 95 LEU H . . 3.860 3.037 2.593 3.406 . 0 0 "[ . 1 . 2]" 1
1745 1 84 TYR QE 1 95 LEU HA . . 4.710 4.440 4.213 4.733 0.023 14 0 "[ . 1 . 2]" 1
1746 1 84 TYR QE 1 95 LEU HB2 . . 3.180 2.761 2.468 3.180 . 8 0 "[ . 1 . 2]" 1
1747 1 84 TYR QE 1 95 LEU MD1 . . 5.230 3.842 3.217 4.272 . 0 0 "[ . 1 . 2]" 1
1748 1 84 TYR QE 1 95 LEU QD . . 4.550 3.272 2.951 3.760 . 0 0 "[ . 1 . 2]" 1
1749 1 84 TYR QE 1 95 LEU MD2 . . 5.230 3.567 3.213 4.319 . 0 0 "[ . 1 . 2]" 1
1750 1 85 ARG H 1 85 ARG HD2 . . 5.500 5.179 4.988 5.344 . 0 0 "[ . 1 . 2]" 1
1751 1 85 ARG H 1 85 ARG HD3 . . 5.500 5.175 5.015 5.301 . 0 0 "[ . 1 . 2]" 1
1752 1 85 ARG H 1 85 ARG HG2 . . 3.840 2.947 2.748 3.213 . 0 0 "[ . 1 . 2]" 1
1753 1 85 ARG H 1 85 ARG QG . . 3.360 2.649 2.601 2.716 . 0 0 "[ . 1 . 2]" 1
1754 1 85 ARG H 1 85 ARG HG3 . . 3.840 3.078 2.778 3.397 . 0 0 "[ . 1 . 2]" 1
1755 1 85 ARG H 1 86 ILE H . . 4.940 4.212 4.113 4.287 . 0 0 "[ . 1 . 2]" 1
1756 1 85 ARG H 1 87 THR H . . 5.500 5.439 5.213 5.552 0.052 14 0 "[ . 1 . 2]" 1
1757 1 85 ARG H 1 92 PHE QD . . 4.890 4.654 4.420 4.882 . 0 0 "[ . 1 . 2]" 1
1758 1 85 ARG H 1 98 LEU QD . . 4.340 3.460 3.235 3.735 . 0 0 "[ . 1 . 2]" 1
1759 1 85 ARG HA 1 85 ARG QD . . 4.480 4.255 4.184 4.387 . 0 0 "[ . 1 . 2]" 1
1760 1 85 ARG HA 1 86 ILE MG . . 4.560 3.608 3.282 3.803 . 0 0 "[ . 1 . 2]" 1
1761 1 85 ARG HA 1 87 THR H . . 3.840 3.726 3.561 3.817 . 0 0 "[ . 1 . 2]" 1
1762 1 85 ARG HA 1 91 ALA HA . . 4.090 3.339 2.865 3.533 . 0 0 "[ . 1 . 2]" 1
1763 1 85 ARG HA 1 91 ALA MB . . 4.700 4.573 4.034 4.714 0.014 15 0 "[ . 1 . 2]" 1
1764 1 85 ARG HA 1 92 PHE H . . 4.420 3.727 3.241 4.106 . 0 0 "[ . 1 . 2]" 1
1765 1 85 ARG HA 1 92 PHE QD . . 4.350 2.459 2.244 2.709 . 0 0 "[ . 1 . 2]" 1
1766 1 85 ARG HA 1 92 PHE HZ . . 5.500 5.473 5.318 5.516 0.016 13 0 "[ . 1 . 2]" 1
1767 1 85 ARG HA 1 98 LEU QD . . 3.610 2.394 2.056 2.833 . 0 0 "[ . 1 . 2]" 1
1768 1 85 ARG HB2 1 85 ARG QD . . 3.560 2.251 2.128 2.396 . 0 0 "[ . 1 . 2]" 1
1769 1 85 ARG HB2 1 86 ILE H . . 4.280 3.028 2.790 3.238 . 0 0 "[ . 1 . 2]" 1
1770 1 85 ARG HB2 1 87 THR H . . 3.840 2.826 2.694 2.974 . 0 0 "[ . 1 . 2]" 1
1771 1 85 ARG HB2 1 91 ALA HA . . 4.270 2.488 2.198 2.690 . 0 0 "[ . 1 . 2]" 1
1772 1 85 ARG HB2 1 92 PHE H . . 4.530 4.034 3.729 4.315 . 0 0 "[ . 1 . 2]" 1
1773 1 85 ARG HB3 1 85 ARG HD2 . . 3.890 3.487 2.879 3.849 . 0 0 "[ . 1 . 2]" 1
1774 1 85 ARG HB3 1 85 ARG QD . . 3.370 2.605 2.356 2.845 . 0 0 "[ . 1 . 2]" 1
1775 1 85 ARG HB3 1 85 ARG HD3 . . 3.890 2.706 2.399 2.930 . 0 0 "[ . 1 . 2]" 1
1776 1 85 ARG HB3 1 86 ILE H . . 4.350 4.085 3.937 4.239 . 0 0 "[ . 1 . 2]" 1
1777 1 85 ARG HB3 1 87 THR H . . 4.710 4.501 4.343 4.639 . 0 0 "[ . 1 . 2]" 1
1778 1 85 ARG HB3 1 91 ALA H . . 5.080 4.919 4.777 4.998 . 0 0 "[ . 1 . 2]" 1
1779 1 85 ARG HB3 1 91 ALA HA . . 4.010 2.031 1.987 2.104 . 0 0 "[ . 1 . 2]" 1
1780 1 85 ARG HB3 1 91 ALA MB . . 3.670 2.645 2.125 2.826 . 0 0 "[ . 1 . 2]" 1
1781 1 85 ARG HB3 1 92 PHE H . . 4.220 2.581 2.280 2.923 . 0 0 "[ . 1 . 2]" 1
1782 1 85 ARG QD 1 87 THR H . . 4.500 3.823 3.526 4.275 . 0 0 "[ . 1 . 2]" 1
1783 1 85 ARG QD 1 88 GLU HA . . 3.380 2.785 2.382 3.232 . 0 0 "[ . 1 . 2]" 1
1784 1 85 ARG QD 1 90 LYS H . . 5.340 5.069 4.575 5.347 0.007 19 0 "[ . 1 . 2]" 1
1785 1 85 ARG QD 1 91 ALA MB . . 3.950 2.466 1.951 2.953 . 0 0 "[ . 1 . 2]" 1
1786 1 85 ARG HD2 1 91 ALA HA . . 4.880 4.403 3.630 4.890 0.010 18 0 "[ . 1 . 2]" 1
1787 1 85 ARG HD2 1 91 ALA MB . . 4.510 3.720 3.106 4.284 . 0 0 "[ . 1 . 2]" 1
1788 1 85 ARG HD3 1 91 ALA HA . . 4.880 3.422 3.002 3.958 . 0 0 "[ . 1 . 2]" 1
1789 1 85 ARG HD3 1 91 ALA MB . . 4.510 2.512 1.967 3.031 . 0 0 "[ . 1 . 2]" 1
1790 1 85 ARG QG 1 87 THR H . . 4.820 3.866 3.470 4.238 . 0 0 "[ . 1 . 2]" 1
1791 1 85 ARG QG 1 91 ALA HA . . 4.250 3.931 3.843 4.093 . 0 0 "[ . 1 . 2]" 1
1792 1 85 ARG HG2 1 91 ALA HA . . 4.850 4.230 4.044 4.449 . 0 0 "[ . 1 . 2]" 1
1793 1 85 ARG HG3 1 91 ALA HA . . 4.850 4.682 4.474 4.809 . 0 0 "[ . 1 . 2]" 1
1794 1 86 ILE H 1 86 ILE MD . . 4.560 3.599 1.807 3.913 . 0 0 "[ . 1 . 2]" 1
1795 1 86 ILE H 1 86 ILE HG12 . . 4.270 2.719 2.006 3.521 . 0 0 "[ . 1 . 2]" 1
1796 1 86 ILE H 1 86 ILE HG13 . . 4.270 2.453 1.891 3.869 . 0 0 "[ . 1 . 2]" 1
1797 1 86 ILE H 1 86 ILE MG . . 3.780 2.548 2.017 2.696 . 0 0 "[ . 1 . 2]" 1
1798 1 86 ILE H 1 87 THR H . . 3.310 2.190 2.019 2.345 . 0 0 "[ . 1 . 2]" 1
1799 1 86 ILE H 1 87 THR MG . . 4.760 4.569 4.388 4.762 0.002 14 0 "[ . 1 . 2]" 1
1800 1 86 ILE H 1 92 PHE QD . . 4.960 4.109 3.840 4.378 . 0 0 "[ . 1 . 2]" 1
1801 1 86 ILE H 1 98 LEU QD . . 4.430 3.052 2.476 3.529 . 0 0 "[ . 1 . 2]" 1
1802 1 86 ILE HA 1 86 ILE MD . . 4.510 3.915 3.535 4.164 . 0 0 "[ . 1 . 2]" 1
1803 1 86 ILE HA 1 86 ILE MG . . 3.270 2.340 2.202 2.563 . 0 0 "[ . 1 . 2]" 1
1804 1 86 ILE HB 1 86 ILE MD . . 3.460 2.255 2.085 3.228 . 0 0 "[ . 1 . 2]" 1
1805 1 86 ILE HB 1 87 THR H . . 4.930 4.107 3.957 4.270 . 0 0 "[ . 1 . 2]" 1
1806 1 86 ILE HB 1 87 THR MG . . 4.470 3.594 3.274 4.088 . 0 0 "[ . 1 . 2]" 1
1807 1 86 ILE HB 1 98 LEU QD . . 5.440 4.755 4.307 5.158 . 0 0 "[ . 1 . 2]" 1
1808 1 86 ILE HB 1 111 PHE QE . . 4.420 3.621 2.761 4.066 . 0 0 "[ . 1 . 2]" 1
1809 1 86 ILE HB 1 111 PHE HZ . . 4.210 2.826 2.127 4.150 . 0 0 "[ . 1 . 2]" 1
1810 1 86 ILE MD 1 86 ILE MG . . 3.130 2.635 1.903 3.133 0.003 12 0 "[ . 1 . 2]" 1
1811 1 86 ILE MD 1 87 THR H . . 4.600 3.577 1.888 4.291 . 0 0 "[ . 1 . 2]" 1
1812 1 86 ILE MD 1 110 CYS H . . 5.500 4.977 4.291 5.513 0.013 11 0 "[ . 1 . 2]" 1
1813 1 86 ILE MD 1 110 CYS HB2 . . 4.320 2.929 2.473 3.563 . 0 0 "[ . 1 . 2]" 1
1814 1 86 ILE MD 1 110 CYS HB3 . . 4.190 2.954 2.298 4.052 . 0 0 "[ . 1 . 2]" 1
1815 1 86 ILE MD 1 111 PHE H . . 5.200 4.612 4.225 5.077 . 0 0 "[ . 1 . 2]" 1
1816 1 86 ILE MD 1 111 PHE QD . . 3.810 3.633 3.066 3.864 0.054 15 0 "[ . 1 . 2]" 1
1817 1 86 ILE MD 1 111 PHE QE . . 3.470 2.366 1.816 3.500 0.030 15 0 "[ . 1 . 2]" 1
1818 1 86 ILE QG 1 86 ILE MG . . 3.200 2.062 1.946 2.294 . 0 0 "[ . 1 . 2]" 1
1819 1 86 ILE QG 1 87 THR H . . 3.860 2.459 2.125 2.993 . 0 0 "[ . 1 . 2]" 1
1820 1 86 ILE QG 1 102 TYR QE . . 4.400 3.386 2.761 3.734 . 0 0 "[ . 1 . 2]" 1
1821 1 86 ILE QG 1 111 PHE QE . . 4.850 3.745 1.852 4.412 . 0 0 "[ . 1 . 2]" 1
1822 1 86 ILE HG12 1 102 TYR QE . . 5.010 3.534 2.803 5.042 0.032 15 0 "[ . 1 . 2]" 1
1823 1 86 ILE HG12 1 111 PHE QE . . 5.500 4.170 1.966 5.056 . 0 0 "[ . 1 . 2]" 1
1824 1 86 ILE HG13 1 102 TYR QE . . 5.010 4.692 3.705 5.065 0.055 4 0 "[ . 1 . 2]" 1
1825 1 86 ILE HG13 1 111 PHE QE . . 5.500 4.470 2.264 4.932 . 0 0 "[ . 1 . 2]" 1
1826 1 86 ILE MG 1 87 THR H . . 4.320 4.039 3.789 4.131 . 0 0 "[ . 1 . 2]" 1
1827 1 86 ILE MG 1 92 PHE QD . . 5.500 5.024 4.636 5.266 . 0 0 "[ . 1 . 2]" 1
1828 1 86 ILE MG 1 98 LEU QD . . 3.040 2.453 2.068 2.803 . 0 0 "[ . 1 . 2]" 1
1829 1 86 ILE MG 1 102 TYR QD . . 5.500 4.896 4.414 5.226 . 0 0 "[ . 1 . 2]" 1
1830 1 86 ILE MG 1 102 TYR QE . . 4.080 3.028 2.527 3.348 . 0 0 "[ . 1 . 2]" 1
1831 1 86 ILE MG 1 111 PHE QE . . 5.500 3.773 2.882 4.601 . 0 0 "[ . 1 . 2]" 1
1832 1 86 ILE MG 1 111 PHE HZ . . 5.500 3.710 2.807 5.461 . 0 0 "[ . 1 . 2]" 1
1833 1 87 THR H 1 87 THR MG . . 3.520 3.343 3.025 3.545 0.025 14 0 "[ . 1 . 2]" 1
1834 1 87 THR H 1 88 GLU H . . 5.080 4.368 4.154 4.460 . 0 0 "[ . 1 . 2]" 1
1835 1 87 THR H 1 90 LYS H . . 4.690 4.246 3.833 4.609 . 0 0 "[ . 1 . 2]" 1
1836 1 87 THR HB 1 88 GLU H . . 3.660 2.644 2.041 3.380 . 0 0 "[ . 1 . 2]" 1
1837 1 87 THR HB 1 88 GLU QG . . 4.090 3.624 3.278 4.032 . 0 0 "[ . 1 . 2]" 1
1838 1 87 THR HB 1 89 LYS H . . 3.920 2.453 2.322 2.602 . 0 0 "[ . 1 . 2]" 1
1839 1 87 THR HB 1 89 LYS QD . . 5.210 4.446 2.668 5.227 0.017 9 0 "[ . 1 . 2]" 1
1840 1 87 THR HB 1 89 LYS QG . . 5.050 3.856 3.346 4.991 . 0 0 "[ . 1 . 2]" 1
1841 1 87 THR HB 1 90 LYS H . . 4.860 3.226 2.564 3.623 . 0 0 "[ . 1 . 2]" 1
1842 1 87 THR HB 1 90 LYS QB . . 5.480 4.387 3.510 5.074 . 0 0 "[ . 1 . 2]" 1
1843 1 87 THR HB 1 110 CYS HB3 . . 5.160 4.784 3.800 5.125 . 0 0 "[ . 1 . 2]" 1
1844 1 87 THR HB 2 10 PRO QB . . 4.390 3.997 3.548 4.389 . 0 0 "[ . 1 . 2]" 1
1845 1 87 THR MG 1 88 GLU H . . 4.400 3.514 3.157 3.686 . 0 0 "[ . 1 . 2]" 1
1846 1 87 THR MG 1 89 LYS H . . 4.210 4.048 3.818 4.216 0.006 18 0 "[ . 1 . 2]" 1
1847 1 87 THR MG 1 110 CYS HA . . 4.690 4.294 3.762 4.693 0.003 9 0 "[ . 1 . 2]" 1
1848 1 87 THR MG 1 110 CYS HB2 . . 4.150 3.815 3.433 4.053 . 0 0 "[ . 1 . 2]" 1
1849 1 87 THR MG 1 110 CYS HB3 . . 3.940 2.569 2.191 2.846 . 0 0 "[ . 1 . 2]" 1
1850 1 87 THR MG 2 10 PRO HA . . 4.050 3.622 3.393 3.998 . 0 0 "[ . 1 . 2]" 1
1851 1 87 THR MG 2 10 PRO QB . . 3.000 1.959 1.818 2.182 . 0 0 "[ . 1 . 2]" 1
1852 1 87 THR MG 2 10 PRO QG . . 3.200 2.818 2.055 3.199 . 0 0 "[ . 1 . 2]" 1
1853 1 87 THR MG 2 11 ASN H . . 4.290 4.189 3.934 4.308 0.018 14 0 "[ . 1 . 2]" 1
1854 1 88 GLU H 1 88 GLU HB2 . . 3.730 3.607 3.564 3.669 . 0 0 "[ . 1 . 2]" 1
1855 1 88 GLU H 1 88 GLU QB . . 3.140 2.510 2.308 2.646 . 0 0 "[ . 1 . 2]" 1
1856 1 88 GLU H 1 88 GLU HB3 . . 3.730 2.562 2.337 2.722 . 0 0 "[ . 1 . 2]" 1
1857 1 88 GLU H 1 88 GLU HG2 . . 4.080 2.443 1.941 3.357 . 0 0 "[ . 1 . 2]" 1
1858 1 88 GLU H 1 88 GLU QG . . 3.510 2.228 1.931 2.863 . 0 0 "[ . 1 . 2]" 1
1859 1 88 GLU H 1 88 GLU HG3 . . 4.080 3.197 2.151 3.820 . 0 0 "[ . 1 . 2]" 1
1860 1 88 GLU H 1 89 LYS H . . 3.810 2.552 2.192 2.851 . 0 0 "[ . 1 . 2]" 1
1861 1 88 GLU H 1 90 LYS H . . 4.780 4.511 4.079 4.791 0.011 17 0 "[ . 1 . 2]" 1
1862 1 88 GLU H 2 10 PRO QG . . 5.500 5.157 4.412 5.509 0.009 14 0 "[ . 1 . 2]" 1
1863 1 88 GLU HA 1 90 LYS H . . 4.940 4.742 4.478 4.941 0.001 3 0 "[ . 1 . 2]" 1
1864 1 88 GLU QB 1 89 LYS H . . 4.210 3.545 3.432 3.642 . 0 0 "[ . 1 . 2]" 1
1865 1 88 GLU QG 1 89 LYS H . . 4.040 2.279 2.026 2.560 . 0 0 "[ . 1 . 2]" 1
1866 1 88 GLU QG 1 89 LYS HA . . 4.370 3.382 3.067 3.981 . 0 0 "[ . 1 . 2]" 1
1867 1 88 GLU QG 1 89 LYS QG . . 3.960 2.582 2.203 3.102 . 0 0 "[ . 1 . 2]" 1
1868 1 88 GLU HG2 1 89 LYS H . . 4.750 2.854 2.086 4.010 . 0 0 "[ . 1 . 2]" 1
1869 1 88 GLU HG3 1 89 LYS H . . 4.750 2.678 2.048 4.062 . 0 0 "[ . 1 . 2]" 1
1870 1 89 LYS H 1 89 LYS HB2 . . 3.660 2.378 2.211 2.579 . 0 0 "[ . 1 . 2]" 1
1871 1 89 LYS H 1 89 LYS QB . . 3.020 2.344 2.188 2.524 . 0 0 "[ . 1 . 2]" 1
1872 1 89 LYS H 1 89 LYS HB3 . . 3.660 3.570 3.510 3.606 . 0 0 "[ . 1 . 2]" 1
1873 1 89 LYS H 1 89 LYS QD . . 4.620 3.659 1.885 4.213 . 0 0 "[ . 1 . 2]" 1
1874 1 89 LYS H 1 89 LYS HG2 . . 4.090 3.374 2.518 4.091 0.001 5 0 "[ . 1 . 2]" 1
1875 1 89 LYS H 1 89 LYS QG . . 3.220 2.510 2.101 3.238 0.018 5 0 "[ . 1 . 2]" 1
1876 1 89 LYS H 1 89 LYS HG3 . . 4.090 2.848 2.124 3.802 . 0 0 "[ . 1 . 2]" 1
1877 1 89 LYS H 1 90 LYS H . . 3.000 2.746 2.567 2.878 . 0 0 "[ . 1 . 2]" 1
1878 1 89 LYS HA 1 89 LYS QD . . 4.200 3.526 1.985 4.201 0.001 18 0 "[ . 1 . 2]" 1
1879 1 89 LYS HA 1 89 LYS QE . . 4.540 4.063 3.400 4.570 0.030 19 0 "[ . 1 . 2]" 1
1880 1 89 LYS HA 1 89 LYS HG2 . . 3.640 2.702 2.269 3.523 . 0 0 "[ . 1 . 2]" 1
1881 1 89 LYS HA 1 89 LYS QG . . 2.930 2.448 2.203 2.712 . 0 0 "[ . 1 . 2]" 1
1882 1 89 LYS HA 1 89 LYS HG3 . . 3.640 3.092 2.279 3.723 0.083 9 0 "[ . 1 . 2]" 1
1883 1 89 LYS QB 1 89 LYS QE . . 4.260 2.651 1.986 3.703 . 0 0 "[ . 1 . 2]" 1
1884 1 89 LYS QB 1 90 LYS H . . 3.360 2.332 2.180 2.463 . 0 0 "[ . 1 . 2]" 1
1885 1 89 LYS HB2 1 89 LYS QE . . 5.030 3.465 2.039 4.392 . 0 0 "[ . 1 . 2]" 1
1886 1 89 LYS HB2 1 90 LYS H . . 3.890 2.395 2.206 2.533 . 0 0 "[ . 1 . 2]" 1
1887 1 89 LYS HB3 1 89 LYS QE . . 5.030 2.931 2.000 4.253 . 0 0 "[ . 1 . 2]" 1
1888 1 89 LYS HB3 1 90 LYS H . . 3.890 3.256 2.876 3.478 . 0 0 "[ . 1 . 2]" 1
1889 1 89 LYS QE 1 89 LYS QG . . 3.280 2.256 2.024 2.632 . 0 0 "[ . 1 . 2]" 1
1890 1 90 LYS H 1 90 LYS QB . . 3.000 2.350 2.292 2.483 . 0 0 "[ . 1 . 2]" 1
1891 1 90 LYS H 1 90 LYS QD . . 5.240 4.489 4.280 4.655 . 0 0 "[ . 1 . 2]" 1
1892 1 90 LYS H 1 90 LYS QG . . 4.320 4.019 3.947 4.117 . 0 0 "[ . 1 . 2]" 1
1893 1 90 LYS H 1 91 ALA H . . 4.670 4.537 4.434 4.601 . 0 0 "[ . 1 . 2]" 1
1894 1 90 LYS H 1 91 ALA HA . . 5.480 5.226 4.979 5.415 . 0 0 "[ . 1 . 2]" 1
1895 1 90 LYS HA 1 90 LYS HD2 . . 4.160 3.531 2.216 4.147 . 0 0 "[ . 1 . 2]" 1
1896 1 90 LYS HA 1 90 LYS QD . . 3.350 2.348 2.008 2.932 . 0 0 "[ . 1 . 2]" 1
1897 1 90 LYS HA 1 90 LYS HD3 . . 4.160 2.586 2.019 3.708 . 0 0 "[ . 1 . 2]" 1
1898 1 90 LYS HA 1 90 LYS QE . . 4.650 3.985 3.447 4.427 . 0 0 "[ . 1 . 2]" 1
1899 1 90 LYS HA 1 90 LYS QG . . 3.540 2.731 2.195 2.945 . 0 0 "[ . 1 . 2]" 1
1900 1 90 LYS HA 1 91 ALA H . . 2.650 2.245 2.164 2.293 . 0 0 "[ . 1 . 2]" 1
1901 1 90 LYS HA 1 91 ALA MB . . 4.050 3.807 3.754 3.956 . 0 0 "[ . 1 . 2]" 1
1902 1 90 LYS QB 1 90 LYS QE . . 4.350 2.789 1.979 3.738 . 0 0 "[ . 1 . 2]" 1
1903 1 90 LYS QB 1 91 ALA H . . 3.610 3.521 3.433 3.620 0.010 12 0 "[ . 1 . 2]" 1
1904 1 90 LYS QB 1 92 PHE QE . . 4.830 3.366 2.901 4.310 . 0 0 "[ . 1 . 2]" 1
1905 1 90 LYS QB 1 92 PHE HZ . . 4.490 3.982 3.542 4.442 . 0 0 "[ . 1 . 2]" 1
1906 1 90 LYS QD 1 92 PHE QE . . 4.090 3.483 2.385 4.092 0.002 19 0 "[ . 1 . 2]" 1
1907 1 90 LYS QD 1 92 PHE HZ . . 3.850 3.346 2.092 3.842 . 0 0 "[ . 1 . 2]" 1
1908 1 90 LYS QD 1 101 PHE HE2 . . 4.240 3.626 2.720 4.229 . 0 0 "[ . 1 . 2]" 1
1909 1 90 LYS HD2 1 91 ALA H . . 4.490 3.235 2.846 4.070 . 0 0 "[ . 1 . 2]" 1
1910 1 90 LYS HD2 1 92 PHE QE . . 4.900 3.701 2.421 4.901 0.001 2 0 "[ . 1 . 2]" 1
1911 1 90 LYS HD3 1 91 ALA H . . 4.490 2.911 1.950 4.483 . 0 0 "[ . 1 . 2]" 1
1912 1 90 LYS HD3 1 92 PHE QE . . 4.900 4.478 3.157 4.879 . 0 0 "[ . 1 . 2]" 1
1913 1 90 LYS QE 1 90 LYS QG . . 3.210 2.222 2.076 2.665 . 0 0 "[ . 1 . 2]" 1
1914 1 90 LYS QE 1 91 ALA H . . 4.610 4.282 3.182 4.608 . 0 0 "[ . 1 . 2]" 1
1915 1 90 LYS QE 1 92 PHE QE . . 4.250 3.552 2.422 4.220 . 0 0 "[ . 1 . 2]" 1
1916 1 90 LYS QE 1 92 PHE HZ . . 4.710 3.247 2.747 4.071 . 0 0 "[ . 1 . 2]" 1
1917 1 90 LYS QE 1 101 PHE QD . . 5.310 3.848 3.003 4.662 . 0 0 "[ . 1 . 2]" 1
1918 1 90 LYS QE 1 101 PHE HE2 . . 3.510 2.549 1.997 3.221 . 0 0 "[ . 1 . 2]" 1
1919 1 90 LYS QG 1 91 ALA H . . 3.420 2.344 2.058 3.150 . 0 0 "[ . 1 . 2]" 1
1920 1 90 LYS QG 1 92 PHE QD . . 5.390 3.803 3.184 5.321 . 0 0 "[ . 1 . 2]" 1
1921 1 90 LYS QG 1 92 PHE QE . . 4.230 2.640 1.957 4.211 . 0 0 "[ . 1 . 2]" 1
1922 1 90 LYS QG 1 92 PHE HZ . . 3.880 2.497 1.996 3.930 0.050 12 0 "[ . 1 . 2]" 1
1923 1 91 ALA H 1 91 ALA MB . . 3.020 2.659 2.495 2.755 . 0 0 "[ . 1 . 2]" 1
1924 1 91 ALA H 1 92 PHE H . . 4.440 4.372 4.234 4.456 0.016 15 0 "[ . 1 . 2]" 1
1925 1 91 ALA H 1 92 PHE QD . . 4.850 4.404 3.890 4.803 . 0 0 "[ . 1 . 2]" 1
1926 1 91 ALA HA 1 92 PHE H . . 3.040 2.315 2.176 2.458 . 0 0 "[ . 1 . 2]" 1
1927 1 91 ALA HA 1 92 PHE HB2 . . 4.810 4.682 4.604 4.761 . 0 0 "[ . 1 . 2]" 1
1928 1 91 ALA HA 1 92 PHE QD . . 4.430 2.725 2.379 3.247 . 0 0 "[ . 1 . 2]" 1
1929 1 91 ALA MB 1 92 PHE H . . 3.160 2.705 2.314 3.055 . 0 0 "[ . 1 . 2]" 1
1930 1 92 PHE H 1 92 PHE HB2 . . 3.630 2.841 2.729 2.973 . 0 0 "[ . 1 . 2]" 1
1931 1 92 PHE H 1 92 PHE HB3 . . 4.060 3.863 3.776 3.944 . 0 0 "[ . 1 . 2]" 1
1932 1 92 PHE H 1 92 PHE QD . . 3.340 2.325 1.906 2.841 . 0 0 "[ . 1 . 2]" 1
1933 1 92 PHE H 1 98 LEU QD . . 4.190 3.953 3.613 4.140 . 0 0 "[ . 1 . 2]" 1
1934 1 92 PHE HB2 1 93 ARG H . . 3.990 3.274 3.184 3.411 . 0 0 "[ . 1 . 2]" 1
1935 1 92 PHE HB2 1 94 GLY H . . 3.800 3.600 3.182 3.803 0.003 2 0 "[ . 1 . 2]" 1
1936 1 92 PHE HB2 1 97 GLU HB2 . . 4.430 4.356 4.145 4.454 0.024 13 0 "[ . 1 . 2]" 1
1937 1 92 PHE HB2 1 98 LEU H . . 4.160 3.968 3.656 4.143 . 0 0 "[ . 1 . 2]" 1
1938 1 92 PHE HB2 1 98 LEU HA . . 4.350 4.119 3.921 4.319 . 0 0 "[ . 1 . 2]" 1
1939 1 92 PHE HB2 1 98 LEU HB2 . . 4.100 2.756 2.559 2.934 . 0 0 "[ . 1 . 2]" 1
1940 1 92 PHE HB2 1 98 LEU HB3 . . 4.670 4.490 4.178 4.686 0.016 19 0 "[ . 1 . 2]" 1
1941 1 92 PHE HB2 1 98 LEU QD . . 3.980 2.661 2.477 2.797 . 0 0 "[ . 1 . 2]" 1
1942 1 92 PHE HB2 1 98 LEU HG . . 4.840 4.214 3.852 4.541 . 0 0 "[ . 1 . 2]" 1
1943 1 92 PHE HB3 1 93 ARG H . . 3.760 2.324 2.248 2.423 . 0 0 "[ . 1 . 2]" 1
1944 1 92 PHE HB3 1 94 GLY H . . 3.420 3.028 2.713 3.361 . 0 0 "[ . 1 . 2]" 1
1945 1 92 PHE HB3 1 97 GLU H . . 5.360 5.194 5.019 5.370 0.010 11 0 "[ . 1 . 2]" 1
1946 1 92 PHE HB3 1 97 GLU HB2 . . 3.590 2.994 2.875 3.134 . 0 0 "[ . 1 . 2]" 1
1947 1 92 PHE HB3 1 97 GLU QG . . 4.580 4.439 4.296 4.585 0.005 19 0 "[ . 1 . 2]" 1
1948 1 92 PHE HB3 1 98 LEU H . . 4.030 3.430 3.084 3.669 . 0 0 "[ . 1 . 2]" 1
1949 1 92 PHE HB3 1 98 LEU HA . . 4.630 3.717 3.528 3.959 . 0 0 "[ . 1 . 2]" 1
1950 1 92 PHE HB3 1 98 LEU HB2 . . 4.310 3.267 2.990 3.451 . 0 0 "[ . 1 . 2]" 1
1951 1 92 PHE HB3 1 98 LEU HB3 . . 5.150 4.911 4.581 5.120 . 0 0 "[ . 1 . 2]" 1
1952 1 92 PHE HB3 1 98 LEU QD . . 4.520 3.838 3.658 3.948 . 0 0 "[ . 1 . 2]" 1
1953 1 92 PHE QD 1 93 ARG H . . 4.230 4.067 3.978 4.171 . 0 0 "[ . 1 . 2]" 1
1954 1 92 PHE QD 1 97 GLU HA . . 5.200 5.023 4.893 5.205 0.005 2 0 "[ . 1 . 2]" 1
1955 1 92 PHE QD 1 97 GLU HB2 . . 3.590 3.452 3.179 3.600 0.010 11 0 "[ . 1 . 2]" 1
1956 1 92 PHE QD 1 97 GLU QG . . 5.340 4.831 4.610 5.047 . 0 0 "[ . 1 . 2]" 1
1957 1 92 PHE QD 1 98 LEU H . . 3.890 3.615 3.247 3.872 . 0 0 "[ . 1 . 2]" 1
1958 1 92 PHE QD 1 98 LEU HA . . 3.590 2.518 2.244 2.837 . 0 0 "[ . 1 . 2]" 1
1959 1 92 PHE QD 1 98 LEU HB2 . . 4.050 3.399 3.022 3.628 . 0 0 "[ . 1 . 2]" 1
1960 1 92 PHE QD 1 98 LEU HB3 . . 4.870 4.608 4.298 4.744 . 0 0 "[ . 1 . 2]" 1
1961 1 92 PHE QD 1 98 LEU QD . . 3.440 2.450 2.071 2.755 . 0 0 "[ . 1 . 2]" 1
1962 1 92 PHE QD 1 98 LEU HG . . 3.960 3.372 2.924 3.532 . 0 0 "[ . 1 . 2]" 1
1963 1 92 PHE QE 1 98 LEU HA . . 4.870 2.740 2.465 2.995 . 0 0 "[ . 1 . 2]" 1
1964 1 92 PHE QE 1 98 LEU HB2 . . 5.250 4.410 4.006 4.739 . 0 0 "[ . 1 . 2]" 1
1965 1 92 PHE QE 1 98 LEU HG . . 5.310 3.041 2.578 3.252 . 0 0 "[ . 1 . 2]" 1
1966 1 92 PHE QE 1 101 PHE H . . 4.930 4.768 4.570 4.933 0.003 15 0 "[ . 1 . 2]" 1
1967 1 92 PHE QE 1 101 PHE HB2 . . 4.350 3.212 2.858 3.716 . 0 0 "[ . 1 . 2]" 1
1968 1 92 PHE QE 1 101 PHE HB3 . . 4.320 2.484 2.252 2.650 . 0 0 "[ . 1 . 2]" 1
1969 1 92 PHE QE 1 101 PHE QD . . 3.740 2.235 2.007 2.581 . 0 0 "[ . 1 . 2]" 1
1970 1 92 PHE HZ 1 98 LEU HA . . 4.420 3.958 3.745 4.239 . 0 0 "[ . 1 . 2]" 1
1971 1 92 PHE HZ 1 98 LEU MD1 . . 4.740 4.272 3.573 4.597 . 0 0 "[ . 1 . 2]" 1
1972 1 92 PHE HZ 1 98 LEU QD . . 4.030 3.821 3.398 4.032 0.002 4 0 "[ . 1 . 2]" 1
1973 1 92 PHE HZ 1 98 LEU MD2 . . 4.740 4.331 4.080 4.629 . 0 0 "[ . 1 . 2]" 1
1974 1 92 PHE HZ 1 98 LEU HG . . 4.460 3.365 3.046 3.629 . 0 0 "[ . 1 . 2]" 1
1975 1 93 ARG H 1 93 ARG HB2 . . 3.800 3.180 2.510 3.715 . 0 0 "[ . 1 . 2]" 1
1976 1 93 ARG H 1 93 ARG QB . . 3.100 2.605 2.165 3.093 . 0 0 "[ . 1 . 2]" 1
1977 1 93 ARG H 1 93 ARG HB3 . . 3.800 3.078 2.202 3.672 . 0 0 "[ . 1 . 2]" 1
1978 1 93 ARG H 1 93 ARG QD . . 4.830 3.496 1.864 4.579 . 0 0 "[ . 1 . 2]" 1
1979 1 93 ARG H 1 93 ARG QG . . 3.490 2.488 1.810 3.669 0.179 15 0 "[ . 1 . 2]" 1
1980 1 93 ARG H 1 94 GLY H . . 3.290 2.209 1.938 2.429 . 0 0 "[ . 1 . 2]" 1
1981 1 93 ARG H 1 94 GLY HA2 . . 5.500 4.860 4.676 4.979 . 0 0 "[ . 1 . 2]" 1
1982 1 93 ARG H 1 94 GLY HA3 . . 5.500 4.739 4.470 4.949 . 0 0 "[ . 1 . 2]" 1
1983 1 93 ARG H 1 97 GLU HB2 . . 3.960 3.584 3.217 3.774 . 0 0 "[ . 1 . 2]" 1
1984 1 93 ARG H 1 97 GLU QG . . 4.610 3.994 3.571 4.394 . 0 0 "[ . 1 . 2]" 1
1985 1 93 ARG H 1 98 LEU H . . 5.400 5.012 4.776 5.187 . 0 0 "[ . 1 . 2]" 1
1986 1 93 ARG H 1 98 LEU HB2 . . 5.500 5.273 5.069 5.423 . 0 0 "[ . 1 . 2]" 1
1987 1 93 ARG H 1 98 LEU QD . . 5.440 5.416 5.316 5.456 0.016 5 0 "[ . 1 . 2]" 1
1988 1 93 ARG HA 1 93 ARG HD2 . . 4.450 3.581 2.167 4.525 0.075 13 0 "[ . 1 . 2]" 1
1989 1 93 ARG HA 1 93 ARG QD . . 3.900 3.104 2.152 4.044 0.144 13 0 "[ . 1 . 2]" 1
1990 1 93 ARG HA 1 93 ARG HD3 . . 4.450 3.673 2.339 4.553 0.103 13 0 "[ . 1 . 2]" 1
1991 1 93 ARG HA 1 93 ARG QG . . 3.470 3.148 2.443 3.452 . 0 0 "[ . 1 . 2]" 1
1992 1 93 ARG QB 1 93 ARG QD . . 3.270 2.198 2.005 2.700 . 0 0 "[ . 1 . 2]" 1
1993 1 93 ARG QB 1 94 GLY H . . 4.070 3.018 2.382 3.619 . 0 0 "[ . 1 . 2]" 1
1994 1 93 ARG QG 1 94 GLY H . . 3.840 2.920 1.950 3.886 0.046 10 0 "[ . 1 . 2]" 1
1995 1 93 ARG QG 1 97 GLU QG . . 4.250 3.437 2.568 4.243 . 0 0 "[ . 1 . 2]" 1
1996 1 94 GLY H 1 95 LEU H . . 4.600 4.405 4.240 4.480 . 0 0 "[ . 1 . 2]" 1
1997 1 94 GLY H 1 96 THR H . . 5.500 5.191 4.986 5.493 . 0 0 "[ . 1 . 2]" 1
1998 1 94 GLY H 1 97 GLU H . . 4.200 4.091 3.883 4.215 0.015 11 0 "[ . 1 . 2]" 1
1999 1 94 GLY H 1 97 GLU HB2 . . 3.220 2.933 2.464 3.165 . 0 0 "[ . 1 . 2]" 1
2000 1 94 GLY H 1 97 GLU QG . . 3.960 3.420 2.839 3.903 . 0 0 "[ . 1 . 2]" 1
2001 1 94 GLY H 1 98 LEU H . . 4.670 4.032 3.885 4.174 . 0 0 "[ . 1 . 2]" 1
2002 1 94 GLY H 1 98 LEU HB2 . . 4.880 4.694 4.433 4.875 . 0 0 "[ . 1 . 2]" 1
2003 1 94 GLY HA2 1 95 LEU H . . 3.090 2.276 2.148 2.387 . 0 0 "[ . 1 . 2]" 1
2004 1 94 GLY HA2 1 95 LEU HA . . 4.360 4.299 4.288 4.343 . 0 0 "[ . 1 . 2]" 1
2005 1 94 GLY HA3 1 97 GLU H . . 4.560 3.765 3.499 3.972 . 0 0 "[ . 1 . 2]" 1
2006 1 95 LEU H 1 95 LEU HB2 . . 3.110 2.584 2.456 2.779 . 0 0 "[ . 1 . 2]" 1
2007 1 95 LEU H 1 95 LEU HB3 . . 3.380 2.439 2.258 2.561 . 0 0 "[ . 1 . 2]" 1
2008 1 95 LEU H 1 95 LEU MD1 . . 4.970 4.125 3.994 4.247 . 0 0 "[ . 1 . 2]" 1
2009 1 95 LEU H 1 95 LEU QD . . 4.240 3.694 3.652 3.748 . 0 0 "[ . 1 . 2]" 1
2010 1 95 LEU H 1 95 LEU MD2 . . 4.970 4.173 4.051 4.257 . 0 0 "[ . 1 . 2]" 1
2011 1 95 LEU H 1 96 THR H . . 3.420 2.830 2.663 3.066 . 0 0 "[ . 1 . 2]" 1
2012 1 95 LEU H 1 98 LEU HB3 . . 5.500 5.366 5.176 5.520 0.020 11 0 "[ . 1 . 2]" 1
2013 1 95 LEU HA 1 95 LEU QD . . 3.170 2.330 2.034 2.499 . 0 0 "[ . 1 . 2]" 1
2014 1 95 LEU HA 1 95 LEU HG . . 4.120 3.197 2.996 3.335 . 0 0 "[ . 1 . 2]" 1
2015 1 95 LEU HA 1 97 GLU H . . 5.070 4.875 4.503 5.115 0.045 20 0 "[ . 1 . 2]" 1
2016 1 95 LEU HA 1 98 LEU H . . 3.760 3.619 3.399 3.782 0.022 15 0 "[ . 1 . 2]" 1
2017 1 95 LEU HA 1 98 LEU HB2 . . 3.800 3.130 2.817 3.798 . 0 0 "[ . 1 . 2]" 1
2018 1 95 LEU HA 1 98 LEU HB3 . . 3.730 2.800 2.536 3.042 . 0 0 "[ . 1 . 2]" 1
2019 1 95 LEU HA 1 98 LEU MD1 . . 4.460 3.444 3.238 3.939 . 0 0 "[ . 1 . 2]" 1
2020 1 95 LEU HA 1 98 LEU QD . . 3.880 3.259 3.112 3.602 . 0 0 "[ . 1 . 2]" 1
2021 1 95 LEU HA 1 98 LEU MD2 . . 4.460 4.056 3.748 4.262 . 0 0 "[ . 1 . 2]" 1
2022 1 95 LEU HA 1 99 VAL H . . 4.820 4.450 4.137 4.670 . 0 0 "[ . 1 . 2]" 1
2023 1 95 LEU HA 1 99 VAL QG . . 4.500 3.980 3.614 4.134 . 0 0 "[ . 1 . 2]" 1
2024 1 95 LEU HB2 1 96 THR H . . 4.200 3.924 3.803 4.070 . 0 0 "[ . 1 . 2]" 1
2025 1 95 LEU HB2 1 99 VAL QG . . 4.910 4.843 4.596 4.920 0.010 15 0 "[ . 1 . 2]" 1
2026 1 95 LEU HB3 1 95 LEU QD . . 3.090 2.160 2.042 2.283 . 0 0 "[ . 1 . 2]" 1
2027 1 95 LEU HB3 1 96 THR H . . 3.040 2.587 2.440 2.805 . 0 0 "[ . 1 . 2]" 1
2028 1 95 LEU HB3 1 99 VAL QG . . 4.980 4.642 4.302 4.837 . 0 0 "[ . 1 . 2]" 1
2029 1 95 LEU QD 1 96 THR H . . 4.680 3.774 3.572 3.953 . 0 0 "[ . 1 . 2]" 1
2030 1 95 LEU QD 1 98 LEU H . . 4.760 4.596 4.368 4.733 . 0 0 "[ . 1 . 2]" 1
2031 1 95 LEU QD 1 98 LEU HB3 . . 3.920 2.900 2.523 3.286 . 0 0 "[ . 1 . 2]" 1
2032 1 95 LEU QD 1 99 VAL H . . 4.080 4.045 3.889 4.096 0.016 19 0 "[ . 1 . 2]" 1
2033 1 95 LEU QD 1 99 VAL HB . . 4.840 4.405 4.244 4.566 . 0 0 "[ . 1 . 2]" 1
2034 1 95 LEU QD 1 99 VAL QG . . 3.330 2.431 2.240 2.608 . 0 0 "[ . 1 . 2]" 1
2035 1 95 LEU MD1 1 96 THR H . . 5.370 4.429 4.251 4.599 . 0 0 "[ . 1 . 2]" 1
2036 1 95 LEU MD1 1 96 THR HA . . 5.500 4.656 4.314 5.069 . 0 0 "[ . 1 . 2]" 1
2037 1 95 LEU MD2 1 96 THR H . . 5.370 4.101 3.781 4.399 . 0 0 "[ . 1 . 2]" 1
2038 1 95 LEU MD2 1 96 THR HA . . 5.500 4.507 4.226 4.761 . 0 0 "[ . 1 . 2]" 1
2039 1 95 LEU HG 1 96 THR H . . 4.710 3.538 3.198 3.830 . 0 0 "[ . 1 . 2]" 1
2040 1 95 LEU HG 1 96 THR HA . . 5.040 3.504 3.174 3.810 . 0 0 "[ . 1 . 2]" 1
2041 1 95 LEU HG 1 99 VAL HB . . 5.500 4.466 4.170 4.706 . 0 0 "[ . 1 . 2]" 1
2042 1 95 LEU HG 1 99 VAL QG . . 3.470 2.681 2.253 2.962 . 0 0 "[ . 1 . 2]" 1
2043 1 96 THR H 1 96 THR HB . . 3.180 2.709 2.593 2.847 . 0 0 "[ . 1 . 2]" 1
2044 1 96 THR H 1 98 LEU H . . 4.660 4.302 4.122 4.498 . 0 0 "[ . 1 . 2]" 1
2045 1 96 THR H 1 98 LEU HB3 . . 5.450 5.183 4.958 5.335 . 0 0 "[ . 1 . 2]" 1
2046 1 96 THR H 1 99 VAL QG . . 4.830 4.600 4.448 4.778 . 0 0 "[ . 1 . 2]" 1
2047 1 96 THR HA 1 96 THR MG . . 3.090 2.315 2.212 2.425 . 0 0 "[ . 1 . 2]" 1
2048 1 96 THR HA 1 98 LEU H . . 4.910 4.619 4.275 4.837 . 0 0 "[ . 1 . 2]" 1
2049 1 96 THR HA 1 99 VAL H . . 3.900 3.643 3.213 3.843 . 0 0 "[ . 1 . 2]" 1
2050 1 96 THR HA 1 99 VAL HB . . 3.900 3.181 2.442 3.399 . 0 0 "[ . 1 . 2]" 1
2051 1 96 THR HA 1 99 VAL QG . . 3.780 3.320 3.052 3.670 . 0 0 "[ . 1 . 2]" 1
2052 1 96 THR HA 1 100 GLU H . . 4.310 3.968 3.598 4.127 . 0 0 "[ . 1 . 2]" 1
2053 1 96 THR HB 1 97 GLU H . . 3.380 2.116 1.941 2.411 . 0 0 "[ . 1 . 2]" 1
2054 1 96 THR HB 1 97 GLU HA . . 4.170 4.088 3.933 4.175 0.005 14 0 "[ . 1 . 2]" 1
2055 1 96 THR HB 1 97 GLU HB2 . . 4.850 4.618 4.351 4.848 . 0 0 "[ . 1 . 2]" 1
2056 1 96 THR HB 1 97 GLU HG2 . . 5.220 3.420 2.918 5.162 . 0 0 "[ . 1 . 2]" 1
2057 1 96 THR HB 1 97 GLU QG . . 4.550 3.208 2.885 4.187 . 0 0 "[ . 1 . 2]" 1
2058 1 96 THR HB 1 97 GLU HG3 . . 5.220 4.640 3.516 5.081 . 0 0 "[ . 1 . 2]" 1
2059 1 96 THR HB 1 98 LEU H . . 5.010 4.789 4.612 4.997 . 0 0 "[ . 1 . 2]" 1
2060 1 96 THR HB 1 99 VAL H . . 5.500 5.365 5.150 5.502 0.002 14 0 "[ . 1 . 2]" 1
2061 1 96 THR HB 1 100 GLU QG . . 5.340 4.642 4.416 4.908 . 0 0 "[ . 1 . 2]" 1
2062 1 96 THR MG 1 97 GLU H . . 3.630 3.179 2.915 3.473 . 0 0 "[ . 1 . 2]" 1
2063 1 96 THR MG 1 97 GLU HA . . 3.940 3.473 3.214 3.680 . 0 0 "[ . 1 . 2]" 1
2064 1 96 THR MG 1 100 GLU HB2 . . 4.650 3.322 2.807 3.652 . 0 0 "[ . 1 . 2]" 1
2065 1 96 THR MG 1 100 GLU QB . . 4.060 3.222 2.750 3.514 . 0 0 "[ . 1 . 2]" 1
2066 1 96 THR MG 1 100 GLU HB3 . . 4.650 4.354 3.945 4.595 . 0 0 "[ . 1 . 2]" 1
2067 1 96 THR MG 1 100 GLU HG2 . . 4.350 3.432 3.038 3.826 . 0 0 "[ . 1 . 2]" 1
2068 1 96 THR MG 1 100 GLU QG . . 3.550 2.290 2.001 2.446 . 0 0 "[ . 1 . 2]" 1
2069 1 96 THR MG 1 100 GLU HG3 . . 4.350 2.336 2.018 2.532 . 0 0 "[ . 1 . 2]" 1
2070 1 97 GLU H 1 97 GLU HB2 . . 2.990 2.588 2.478 2.691 . 0 0 "[ . 1 . 2]" 1
2071 1 97 GLU H 1 97 GLU HG2 . . 4.150 2.332 1.891 3.772 . 0 0 "[ . 1 . 2]" 1
2072 1 97 GLU H 1 97 GLU QG . . 3.490 2.184 1.878 3.138 . 0 0 "[ . 1 . 2]" 1
2073 1 97 GLU H 1 97 GLU HG3 . . 4.150 3.364 2.297 3.726 . 0 0 "[ . 1 . 2]" 1
2074 1 97 GLU H 1 98 LEU H . . 3.400 2.881 2.686 3.011 . 0 0 "[ . 1 . 2]" 1
2075 1 97 GLU H 1 98 LEU HB3 . . 5.380 5.161 4.934 5.335 . 0 0 "[ . 1 . 2]" 1
2076 1 97 GLU H 1 99 VAL QG . . 5.440 5.143 4.924 5.303 . 0 0 "[ . 1 . 2]" 1
2077 1 97 GLU HA 1 97 GLU HG2 . . 3.900 3.075 2.430 3.670 . 0 0 "[ . 1 . 2]" 1
2078 1 97 GLU HA 1 97 GLU QG . . 3.130 2.790 2.339 3.055 . 0 0 "[ . 1 . 2]" 1
2079 1 97 GLU HA 1 97 GLU HG3 . . 3.900 3.554 2.371 3.834 . 0 0 "[ . 1 . 2]" 1
2080 1 97 GLU HA 1 98 LEU HA . . 4.920 4.862 4.760 4.908 . 0 0 "[ . 1 . 2]" 1
2081 1 97 GLU HA 1 99 VAL H . . 4.570 4.076 3.854 4.357 . 0 0 "[ . 1 . 2]" 1
2082 1 97 GLU HA 1 100 GLU H . . 3.800 3.331 3.060 3.791 . 0 0 "[ . 1 . 2]" 1
2083 1 97 GLU HA 1 100 GLU QB . . 3.610 2.426 2.132 3.016 . 0 0 "[ . 1 . 2]" 1
2084 1 97 GLU HA 1 100 GLU QG . . 5.100 3.857 3.591 4.199 . 0 0 "[ . 1 . 2]" 1
2085 1 97 GLU HA 1 101 PHE H . . 4.670 4.075 3.659 4.358 . 0 0 "[ . 1 . 2]" 1
2086 1 97 GLU HB2 1 98 LEU H . . 3.150 2.460 2.291 2.592 . 0 0 "[ . 1 . 2]" 1
2087 1 97 GLU HB2 1 98 LEU HB2 . . 4.270 4.225 4.143 4.295 0.025 11 0 "[ . 1 . 2]" 1
2088 1 97 GLU QG 1 98 LEU H . . 4.710 3.991 3.836 4.433 . 0 0 "[ . 1 . 2]" 1
2089 1 98 LEU H 1 98 LEU HB2 . . 3.120 2.331 2.254 2.515 . 0 0 "[ . 1 . 2]" 1
2090 1 98 LEU H 1 98 LEU HB3 . . 3.220 2.708 2.506 2.826 . 0 0 "[ . 1 . 2]" 1
2091 1 98 LEU H 1 98 LEU QD . . 4.240 3.703 3.662 3.723 . 0 0 "[ . 1 . 2]" 1
2092 1 98 LEU H 1 98 LEU HG . . 4.460 4.361 4.289 4.467 0.007 15 0 "[ . 1 . 2]" 1
2093 1 98 LEU H 1 99 VAL H . . 3.310 2.799 2.564 2.908 . 0 0 "[ . 1 . 2]" 1
2094 1 98 LEU H 1 99 VAL QG . . 4.430 4.281 4.163 4.391 . 0 0 "[ . 1 . 2]" 1
2095 1 98 LEU H 1 100 GLU H . . 4.610 4.390 4.210 4.601 . 0 0 "[ . 1 . 2]" 1
2096 1 98 LEU HA 1 98 LEU MD1 . . 3.780 3.556 3.527 3.630 . 0 0 "[ . 1 . 2]" 1
2097 1 98 LEU HA 1 98 LEU QD . . 3.200 3.030 2.964 3.086 . 0 0 "[ . 1 . 2]" 1
2098 1 98 LEU HA 1 98 LEU MD2 . . 3.780 3.284 3.180 3.370 . 0 0 "[ . 1 . 2]" 1
2099 1 98 LEU HA 1 98 LEU HG . . 3.490 2.405 2.340 2.489 . 0 0 "[ . 1 . 2]" 1
2100 1 98 LEU HA 1 99 VAL HA . . 5.010 4.670 4.635 4.710 . 0 0 "[ . 1 . 2]" 1
2101 1 98 LEU HA 1 99 VAL QG . . 4.960 4.660 4.532 4.867 . 0 0 "[ . 1 . 2]" 1
2102 1 98 LEU HA 1 101 PHE HB2 . . 4.450 3.863 3.600 4.214 . 0 0 "[ . 1 . 2]" 1
2103 1 98 LEU HA 1 101 PHE HB3 . . 4.130 2.972 2.674 3.172 . 0 0 "[ . 1 . 2]" 1
2104 1 98 LEU HA 1 101 PHE QD . . 4.840 4.049 3.685 4.321 . 0 0 "[ . 1 . 2]" 1
2105 1 98 LEU HB2 1 98 LEU MD1 . . 3.570 2.071 1.979 2.152 . 0 0 "[ . 1 . 2]" 1
2106 1 98 LEU HB2 1 98 LEU QD . . 2.920 2.043 1.958 2.115 . 0 0 "[ . 1 . 2]" 1
2107 1 98 LEU HB2 1 98 LEU MD2 . . 3.570 3.124 3.114 3.141 . 0 0 "[ . 1 . 2]" 1
2108 1 98 LEU HB2 1 99 VAL QG . . 5.320 4.461 4.305 4.839 . 0 0 "[ . 1 . 2]" 1
2109 1 98 LEU HB3 1 98 LEU MD1 . . 3.350 2.673 2.608 2.703 . 0 0 "[ . 1 . 2]" 1
2110 1 98 LEU HB3 1 98 LEU MD2 . . 3.350 2.090 2.013 2.210 . 0 0 "[ . 1 . 2]" 1
2111 1 98 LEU HB3 1 99 VAL H . . 3.520 2.715 2.534 2.890 . 0 0 "[ . 1 . 2]" 1
2112 1 98 LEU HB3 1 99 VAL HA . . 4.940 4.253 4.129 4.376 . 0 0 "[ . 1 . 2]" 1
2113 1 98 LEU HB3 1 99 VAL QG . . 4.200 3.016 2.784 3.421 . 0 0 "[ . 1 . 2]" 1
2114 1 98 LEU HB3 1 100 GLU H . . 5.500 5.137 4.960 5.378 . 0 0 "[ . 1 . 2]" 1
2115 1 98 LEU QD 1 99 VAL H . . 3.530 3.336 3.166 3.528 . 0 0 "[ . 1 . 2]" 1
2116 1 98 LEU QD 1 99 VAL HA . . 3.350 3.063 2.922 3.187 . 0 0 "[ . 1 . 2]" 1
2117 1 98 LEU QD 1 99 VAL HB . . 5.440 4.572 4.342 4.791 . 0 0 "[ . 1 . 2]" 1
2118 1 98 LEU QD 1 99 VAL QG . . 3.190 2.581 2.348 2.905 . 0 0 "[ . 1 . 2]" 1
2119 1 98 LEU QD 1 100 GLU H . . 5.440 5.067 4.962 5.206 . 0 0 "[ . 1 . 2]" 1
2120 1 98 LEU QD 1 101 PHE HB3 . . 5.440 4.557 4.328 4.826 . 0 0 "[ . 1 . 2]" 1
2121 1 98 LEU QD 1 102 TYR H . . 4.730 4.338 4.105 4.558 . 0 0 "[ . 1 . 2]" 1
2122 1 98 LEU QD 1 102 TYR HB2 . . 5.440 4.043 3.717 4.250 . 0 0 "[ . 1 . 2]" 1
2123 1 98 LEU QD 1 102 TYR QD . . 3.300 2.343 1.966 2.616 . 0 0 "[ . 1 . 2]" 1
2124 1 98 LEU MD1 1 99 VAL H . . 5.030 4.879 4.752 5.005 . 0 0 "[ . 1 . 2]" 1
2125 1 98 LEU MD2 1 99 VAL H . . 5.030 3.397 3.206 3.608 . 0 0 "[ . 1 . 2]" 1
2126 1 98 LEU HG 1 99 VAL H . . 5.010 4.753 4.656 4.880 . 0 0 "[ . 1 . 2]" 1
2127 1 98 LEU HG 1 99 VAL HA . . 5.500 5.120 4.888 5.288 . 0 0 "[ . 1 . 2]" 1
2128 1 98 LEU HG 1 99 VAL QG . . 5.150 4.793 4.584 4.948 . 0 0 "[ . 1 . 2]" 1
2129 1 98 LEU HG 1 102 TYR H . . 5.500 5.326 4.947 5.472 . 0 0 "[ . 1 . 2]" 1
2130 1 99 VAL H 1 99 VAL HB . . 2.940 2.479 2.316 2.529 . 0 0 "[ . 1 . 2]" 1
2131 1 99 VAL H 1 99 VAL MG1 . . 3.880 3.770 3.690 3.789 . 0 0 "[ . 1 . 2]" 1
2132 1 99 VAL H 1 99 VAL QG . . 2.860 2.401 2.270 2.599 . 0 0 "[ . 1 . 2]" 1
2133 1 99 VAL H 1 99 VAL MG2 . . 3.880 2.430 2.289 2.655 . 0 0 "[ . 1 . 2]" 1
2134 1 99 VAL H 1 100 GLU H . . 3.380 2.456 2.299 2.625 . 0 0 "[ . 1 . 2]" 1
2135 1 99 VAL H 1 100 GLU HA . . 5.500 5.092 4.979 5.214 . 0 0 "[ . 1 . 2]" 1
2136 1 99 VAL H 1 100 GLU QG . . 4.590 4.497 4.206 4.607 0.017 13 0 "[ . 1 . 2]" 1
2137 1 99 VAL HA 1 99 VAL MG1 . . 3.200 2.444 2.360 2.536 . 0 0 "[ . 1 . 2]" 1
2138 1 99 VAL HA 1 99 VAL MG2 . . 3.200 2.311 2.148 2.422 . 0 0 "[ . 1 . 2]" 1
2139 1 99 VAL HA 1 102 TYR H . . 4.340 3.436 3.361 3.564 . 0 0 "[ . 1 . 2]" 1
2140 1 99 VAL HA 1 102 TYR HB2 . . 4.380 2.963 2.780 3.041 . 0 0 "[ . 1 . 2]" 1
2141 1 99 VAL HA 1 102 TYR HB3 . . 4.830 4.597 4.384 4.722 . 0 0 "[ . 1 . 2]" 1
2142 1 99 VAL HA 1 102 TYR QD . . 4.640 3.013 2.666 3.294 . 0 0 "[ . 1 . 2]" 1
2143 1 99 VAL HA 1 103 GLN H . . 4.570 4.492 4.396 4.608 0.038 18 0 "[ . 1 . 2]" 1
2144 1 99 VAL HA 1 103 GLN QG . . 4.620 4.326 4.022 4.637 0.017 14 0 "[ . 1 . 2]" 1
2145 1 99 VAL HA 1 118 LEU QD . . 3.270 2.423 2.139 2.738 . 0 0 "[ . 1 . 2]" 1
2146 1 99 VAL HB 1 100 GLU H . . 3.280 2.449 2.271 2.675 . 0 0 "[ . 1 . 2]" 1
2147 1 99 VAL HB 1 100 GLU HA . . 4.610 4.276 4.212 4.491 . 0 0 "[ . 1 . 2]" 1
2148 1 99 VAL HB 1 100 GLU QG . . 4.630 3.444 3.248 3.546 . 0 0 "[ . 1 . 2]" 1
2149 1 99 VAL QG 1 100 GLU H . . 3.290 3.093 2.668 3.247 . 0 0 "[ . 1 . 2]" 1
2150 1 99 VAL QG 1 100 GLU HA . . 4.000 3.352 2.915 3.510 . 0 0 "[ . 1 . 2]" 1
2151 1 99 VAL QG 1 100 GLU QG . . 4.280 3.414 2.847 3.587 . 0 0 "[ . 1 . 2]" 1
2152 1 99 VAL QG 1 101 PHE H . . 4.690 4.034 3.932 4.111 . 0 0 "[ . 1 . 2]" 1
2153 1 99 VAL QG 1 102 TYR H . . 4.590 4.326 4.268 4.452 . 0 0 "[ . 1 . 2]" 1
2154 1 99 VAL QG 1 103 GLN H . . 4.320 4.180 3.998 4.307 . 0 0 "[ . 1 . 2]" 1
2155 1 99 VAL QG 1 103 GLN HA . . 5.440 5.420 5.329 5.513 0.073 5 0 "[ . 1 . 2]" 1
2156 1 99 VAL QG 1 103 GLN HE21 . . 4.400 3.719 2.805 4.345 . 0 0 "[ . 1 . 2]" 1
2157 1 99 VAL QG 1 103 GLN HE22 . . 4.340 4.072 3.595 4.292 . 0 0 "[ . 1 . 2]" 1
2158 1 99 VAL QG 1 103 GLN QG . . 3.310 3.030 2.919 3.152 . 0 0 "[ . 1 . 2]" 1
2159 1 99 VAL QG 1 118 LEU HB2 . . 4.850 3.969 3.818 4.288 . 0 0 "[ . 1 . 2]" 1
2160 1 99 VAL QG 1 118 LEU HB3 . . 4.740 3.855 3.641 4.169 . 0 0 "[ . 1 . 2]" 1
2161 1 99 VAL QG 1 118 LEU QD . . 3.160 1.751 1.653 1.920 . 0 0 "[ . 1 . 2]" 1
2162 1 99 VAL MG1 1 100 GLU H . . 4.100 3.290 2.717 3.493 . 0 0 "[ . 1 . 2]" 1
2163 1 99 VAL MG2 1 100 GLU H . . 4.100 3.789 3.730 3.890 . 0 0 "[ . 1 . 2]" 1
2164 1 100 GLU H 1 100 GLU HB2 . . 3.640 2.335 2.271 2.491 . 0 0 "[ . 1 . 2]" 1
2165 1 100 GLU H 1 100 GLU QB . . 3.150 2.305 2.246 2.448 . 0 0 "[ . 1 . 2]" 1
2166 1 100 GLU H 1 100 GLU HB3 . . 3.640 3.561 3.541 3.589 . 0 0 "[ . 1 . 2]" 1
2167 1 100 GLU H 1 100 GLU HG2 . . 3.520 3.051 2.654 3.486 . 0 0 "[ . 1 . 2]" 1
2168 1 100 GLU H 1 100 GLU QG . . 2.980 2.551 2.238 2.726 . 0 0 "[ . 1 . 2]" 1
2169 1 100 GLU H 1 100 GLU HG3 . . 3.520 3.021 2.284 3.554 0.034 6 0 "[ . 1 . 2]" 1
2170 1 100 GLU H 1 101 PHE H . . 3.370 2.655 2.576 2.701 . 0 0 "[ . 1 . 2]" 1
2171 1 100 GLU H 1 102 TYR H . . 4.730 4.573 4.492 4.635 . 0 0 "[ . 1 . 2]" 1
2172 1 100 GLU H 1 103 GLN H . . 5.500 5.321 5.210 5.431 . 0 0 "[ . 1 . 2]" 1
2173 1 100 GLU H 1 103 GLN QG . . 5.480 4.776 4.121 5.367 . 0 0 "[ . 1 . 2]" 1
2174 1 100 GLU HA 1 100 GLU HG2 . . 3.620 2.424 2.261 2.543 . 0 0 "[ . 1 . 2]" 1
2175 1 100 GLU HA 1 100 GLU HG3 . . 3.620 3.438 3.053 3.688 0.068 17 0 "[ . 1 . 2]" 1
2176 1 100 GLU HA 1 102 TYR H . . 5.070 4.759 4.623 4.855 . 0 0 "[ . 1 . 2]" 1
2177 1 100 GLU HA 1 103 GLN H . . 4.090 3.954 3.823 4.116 0.026 8 0 "[ . 1 . 2]" 1
2178 1 100 GLU HA 1 103 GLN HB2 . . 3.890 3.643 3.221 3.920 0.030 18 0 "[ . 1 . 2]" 1
2179 1 100 GLU HA 1 103 GLN HE21 . . 4.870 3.876 1.892 4.824 . 0 0 "[ . 1 . 2]" 1
2180 1 100 GLU HA 1 103 GLN HE22 . . 4.570 3.890 2.976 4.354 . 0 0 "[ . 1 . 2]" 1
2181 1 100 GLU HA 1 103 GLN QG . . 3.830 2.981 2.140 3.643 . 0 0 "[ . 1 . 2]" 1
2182 1 100 GLU HA 1 104 GLN QE . . 4.980 4.228 3.752 4.951 . 0 0 "[ . 1 . 2]" 1
2183 1 100 GLU QB 1 101 PHE H . . 3.660 3.290 3.208 3.309 . 0 0 "[ . 1 . 2]" 1
2184 1 100 GLU QB 1 101 PHE HA . . 4.630 4.099 4.083 4.112 . 0 0 "[ . 1 . 2]" 1
2185 1 100 GLU QB 1 104 GLN QE . . 5.180 4.054 3.654 4.839 . 0 0 "[ . 1 . 2]" 1
2186 1 100 GLU HB2 1 101 PHE H . . 4.210 3.466 3.359 3.503 . 0 0 "[ . 1 . 2]" 1
2187 1 100 GLU HB3 1 101 PHE H . . 4.210 4.098 4.047 4.207 . 0 0 "[ . 1 . 2]" 1
2188 1 101 PHE H 1 101 PHE HB2 . . 3.120 2.879 2.701 3.072 . 0 0 "[ . 1 . 2]" 1
2189 1 101 PHE H 1 101 PHE HB3 . . 3.100 2.455 2.327 2.602 . 0 0 "[ . 1 . 2]" 1
2190 1 101 PHE H 1 101 PHE QD . . 4.400 4.180 3.984 4.256 . 0 0 "[ . 1 . 2]" 1
2191 1 101 PHE H 1 102 TYR HA . . 5.100 4.945 4.912 4.980 . 0 0 "[ . 1 . 2]" 1
2192 1 101 PHE H 1 102 TYR HB3 . . 5.500 5.582 5.551 5.659 0.159 4 0 "[ . 1 . 2]" 1
2193 1 101 PHE H 1 103 GLN H . . 4.200 3.727 3.598 3.878 . 0 0 "[ . 1 . 2]" 1
2194 1 101 PHE H 1 118 LEU QD . . 4.830 4.445 4.303 4.552 . 0 0 "[ . 1 . 2]" 1
2195 1 101 PHE HA 1 101 PHE QD . . 4.120 2.666 2.406 2.959 . 0 0 "[ . 1 . 2]" 1
2196 1 101 PHE HA 1 104 GLN H . . 4.060 3.825 3.739 3.931 . 0 0 "[ . 1 . 2]" 1
2197 1 101 PHE HA 1 104 GLN HB2 . . 4.010 3.462 3.310 3.679 . 0 0 "[ . 1 . 2]" 1
2198 1 101 PHE HA 1 104 GLN QE . . 4.680 3.400 2.692 4.601 . 0 0 "[ . 1 . 2]" 1
2199 1 101 PHE HA 1 104 GLN QG . . 5.340 4.804 4.541 5.049 . 0 0 "[ . 1 . 2]" 1
2200 1 101 PHE HA 1 105 ASN H . . 5.000 4.761 4.527 5.052 0.052 6 0 "[ . 1 . 2]" 1
2201 1 101 PHE HA 1 105 ASN HD21 . . 4.570 4.050 3.338 4.529 . 0 0 "[ . 1 . 2]" 1
2202 1 101 PHE HA 1 105 ASN QD . . 3.810 3.168 2.900 3.511 . 0 0 "[ . 1 . 2]" 1
2203 1 101 PHE HA 1 105 ASN HD22 . . 4.570 3.453 2.945 4.079 . 0 0 "[ . 1 . 2]" 1
2204 1 101 PHE HB2 1 102 TYR H . . 4.150 3.840 3.684 3.980 . 0 0 "[ . 1 . 2]" 1
2205 1 101 PHE HB2 1 105 ASN QD . . 4.560 4.070 3.910 4.308 . 0 0 "[ . 1 . 2]" 1
2206 1 101 PHE HB3 1 102 TYR H . . 3.440 2.478 2.355 2.632 . 0 0 "[ . 1 . 2]" 1
2207 1 101 PHE HE1 1 104 GLN HB2 . . 5.500 5.236 4.831 5.492 . 0 0 "[ . 1 . 2]" 1
2208 1 101 PHE HE1 1 105 ASN QB . . 5.340 4.950 4.517 5.355 0.015 5 0 "[ . 1 . 2]" 1
2209 1 101 PHE HE1 1 105 ASN HD21 . . 4.030 3.904 3.526 4.050 0.020 4 0 "[ . 1 . 2]" 1
2210 1 101 PHE HE1 1 105 ASN QD . . 3.520 2.950 2.333 3.465 . 0 0 "[ . 1 . 2]" 1
2211 1 101 PHE HE1 1 105 ASN HD22 . . 4.030 3.113 2.357 3.792 . 0 0 "[ . 1 . 2]" 1
2212 1 101 PHE HE2 1 105 ASN HB2 . . 4.520 3.530 2.852 4.080 . 0 0 "[ . 1 . 2]" 1
2213 1 101 PHE HE2 1 105 ASN QB . . 3.930 3.254 2.730 3.736 . 0 0 "[ . 1 . 2]" 1
2214 1 101 PHE HE2 1 105 ASN HB3 . . 4.520 3.880 3.375 4.464 . 0 0 "[ . 1 . 2]" 1
2215 1 101 PHE HE2 1 105 ASN HD21 . . 4.810 3.951 3.421 4.579 . 0 0 "[ . 1 . 2]" 1
2216 1 101 PHE HE2 1 105 ASN QD . . 4.030 3.376 3.081 3.780 . 0 0 "[ . 1 . 2]" 1
2217 1 101 PHE HE2 1 105 ASN HD22 . . 4.810 3.779 3.225 4.531 . 0 0 "[ . 1 . 2]" 1
2218 1 102 TYR H 1 102 TYR HB2 . . 3.360 2.207 2.170 2.304 . 0 0 "[ . 1 . 2]" 1
2219 1 102 TYR H 1 102 TYR HB3 . . 3.600 3.507 3.482 3.554 . 0 0 "[ . 1 . 2]" 1
2220 1 102 TYR H 1 102 TYR QD . . 3.500 3.436 3.339 3.485 . 0 0 "[ . 1 . 2]" 1
2221 1 102 TYR H 1 103 GLN H . . 3.170 2.782 2.695 2.916 . 0 0 "[ . 1 . 2]" 1
2222 1 102 TYR H 1 103 GLN HA . . 5.500 5.341 5.267 5.450 . 0 0 "[ . 1 . 2]" 1
2223 1 102 TYR H 1 104 GLN H . . 4.230 4.160 4.127 4.237 0.007 18 0 "[ . 1 . 2]" 1
2224 1 102 TYR H 1 105 ASN QD . . 4.340 4.078 3.918 4.250 . 0 0 "[ . 1 . 2]" 1
2225 1 102 TYR H 1 118 LEU QD . . 3.730 3.714 3.548 3.769 0.039 14 0 "[ . 1 . 2]" 1
2226 1 102 TYR HA 1 102 TYR QD . . 3.780 2.012 1.972 2.079 . 0 0 "[ . 1 . 2]" 1
2227 1 102 TYR HA 1 102 TYR QE . . 5.090 4.139 4.120 4.181 . 0 0 "[ . 1 . 2]" 1
2228 1 102 TYR HA 1 104 GLN H . . 3.840 3.499 3.346 3.576 . 0 0 "[ . 1 . 2]" 1
2229 1 102 TYR HA 1 105 ASN H . . 3.340 2.772 2.664 2.857 . 0 0 "[ . 1 . 2]" 1
2230 1 102 TYR HA 1 105 ASN HB2 . . 4.750 3.341 2.533 4.064 . 0 0 "[ . 1 . 2]" 1
2231 1 102 TYR HA 1 105 ASN QB . . 4.150 3.234 2.515 3.857 . 0 0 "[ . 1 . 2]" 1
2232 1 102 TYR HA 1 105 ASN HB3 . . 4.750 4.558 4.233 4.799 0.049 20 0 "[ . 1 . 2]" 1
2233 1 102 TYR HA 1 105 ASN HD21 . . 4.860 3.749 2.889 4.472 . 0 0 "[ . 1 . 2]" 1
2234 1 102 TYR HA 1 105 ASN HD22 . . 4.860 4.075 3.276 4.861 0.001 4 0 "[ . 1 . 2]" 1
2235 1 102 TYR HA 1 107 LEU QD . . 5.050 3.876 3.301 4.335 . 0 0 "[ . 1 . 2]" 1
2236 1 102 TYR HA 1 118 LEU H . . 5.310 5.259 5.062 5.350 0.040 3 0 "[ . 1 . 2]" 1
2237 1 102 TYR HA 1 118 LEU QD . . 4.710 4.512 3.875 4.716 0.006 7 0 "[ . 1 . 2]" 1
2238 1 102 TYR HB2 1 104 GLN H . . 5.500 4.919 4.842 4.997 . 0 0 "[ . 1 . 2]" 1
2239 1 102 TYR HB2 1 118 LEU H . . 4.700 4.326 4.149 4.706 0.006 20 0 "[ . 1 . 2]" 1
2240 1 102 TYR HB2 1 118 LEU MD1 . . 4.340 2.451 2.199 3.045 . 0 0 "[ . 1 . 2]" 1
2241 1 102 TYR HB2 1 118 LEU QD . . 3.400 2.259 1.962 2.435 . 0 0 "[ . 1 . 2]" 1
2242 1 102 TYR HB2 1 118 LEU MD2 . . 4.340 3.729 1.991 4.363 0.023 6 0 "[ . 1 . 2]" 1
2243 1 102 TYR HB2 1 118 LEU HG . . 4.970 3.415 2.867 5.014 0.044 11 0 "[ . 1 . 2]" 1
2244 1 102 TYR HB3 1 103 GLN H . . 4.360 3.339 3.099 3.570 . 0 0 "[ . 1 . 2]" 1
2245 1 102 TYR HB3 1 105 ASN H . . 4.960 4.701 4.483 4.895 . 0 0 "[ . 1 . 2]" 1
2246 1 102 TYR HB3 1 107 LEU MD1 . . 4.550 3.244 2.108 4.206 . 0 0 "[ . 1 . 2]" 1
2247 1 102 TYR HB3 1 107 LEU QD . . 3.700 2.665 2.103 3.090 . 0 0 "[ . 1 . 2]" 1
2248 1 102 TYR HB3 1 107 LEU MD2 . . 4.550 3.562 2.701 4.554 0.004 8 0 "[ . 1 . 2]" 1
2249 1 102 TYR HB3 1 107 LEU HG . . 4.740 3.766 3.125 4.647 . 0 0 "[ . 1 . 2]" 1
2250 1 102 TYR HB3 1 118 LEU H . . 4.700 3.023 2.783 3.395 . 0 0 "[ . 1 . 2]" 1
2251 1 102 TYR HB3 1 118 LEU MD1 . . 4.330 2.846 1.923 3.254 . 0 0 "[ . 1 . 2]" 1
2252 1 102 TYR HB3 1 118 LEU QD . . 3.540 2.737 1.873 3.081 . 0 0 "[ . 1 . 2]" 1
2253 1 102 TYR HB3 1 118 LEU MD2 . . 4.330 3.582 2.478 4.161 . 0 0 "[ . 1 . 2]" 1
2254 1 102 TYR HB3 1 118 LEU HG . . 4.570 2.912 2.355 4.690 0.120 19 0 "[ . 1 . 2]" 1
2255 1 102 TYR QD 1 103 GLN H . . 4.700 4.630 4.520 4.738 0.038 20 0 "[ . 1 . 2]" 1
2256 1 102 TYR QD 1 105 ASN H . . 4.290 4.132 3.950 4.285 . 0 0 "[ . 1 . 2]" 1
2257 1 102 TYR QD 1 105 ASN QB . . 4.710 3.318 2.647 3.689 . 0 0 "[ . 1 . 2]" 1
2258 1 102 TYR QD 1 107 LEU HA . . 4.110 3.402 2.983 3.863 . 0 0 "[ . 1 . 2]" 1
2259 1 102 TYR QD 1 107 LEU QD . . 3.300 2.536 2.266 2.732 . 0 0 "[ . 1 . 2]" 1
2260 1 102 TYR QD 1 107 LEU HG . . 4.870 3.464 2.955 3.968 . 0 0 "[ . 1 . 2]" 1
2261 1 102 TYR QD 1 118 LEU QD . . 4.450 3.004 2.769 3.542 . 0 0 "[ . 1 . 2]" 1
2262 1 102 TYR QE 1 107 LEU HA . . 4.420 2.959 2.486 3.624 . 0 0 "[ . 1 . 2]" 1
2263 1 103 GLN H 1 103 GLN HB2 . . 3.120 2.617 2.289 2.831 . 0 0 "[ . 1 . 2]" 1
2264 1 103 GLN H 1 103 GLN HB3 . . 3.710 3.579 3.547 3.598 . 0 0 "[ . 1 . 2]" 1
2265 1 103 GLN H 1 103 GLN HE21 . . 5.190 4.693 3.714 5.062 . 0 0 "[ . 1 . 2]" 1
2266 1 103 GLN H 1 103 GLN QG . . 3.170 2.025 1.844 2.561 . 0 0 "[ . 1 . 2]" 1
2267 1 103 GLN H 1 104 GLN H . . 3.190 2.762 2.668 2.875 . 0 0 "[ . 1 . 2]" 1
2268 1 103 GLN H 1 104 GLN HB2 . . 5.000 4.762 4.527 4.934 . 0 0 "[ . 1 . 2]" 1
2269 1 103 GLN H 1 105 ASN H . . 4.290 4.108 3.966 4.235 . 0 0 "[ . 1 . 2]" 1
2270 1 103 GLN H 1 118 LEU H . . 4.790 4.608 4.199 4.803 0.013 9 0 "[ . 1 . 2]" 1
2271 1 103 GLN H 1 118 LEU HB2 . . 4.190 3.647 3.180 3.891 . 0 0 "[ . 1 . 2]" 1
2272 1 103 GLN H 1 118 LEU HB3 . . 5.370 5.210 4.700 5.421 0.051 15 0 "[ . 1 . 2]" 1
2273 1 103 GLN H 1 118 LEU QD . . 4.020 3.170 2.704 3.429 . 0 0 "[ . 1 . 2]" 1
2274 1 103 GLN H 1 118 LEU HG . . 5.500 4.405 3.770 5.564 0.064 8 0 "[ . 1 . 2]" 1
2275 1 103 GLN HA 1 103 GLN HE21 . . 4.860 4.732 4.582 4.951 0.091 20 0 "[ . 1 . 2]" 1
2276 1 103 GLN HA 1 103 GLN QG . . 3.460 2.474 2.273 2.590 . 0 0 "[ . 1 . 2]" 1
2277 1 103 GLN HA 1 105 ASN H . . 5.430 4.534 4.182 4.754 . 0 0 "[ . 1 . 2]" 1
2278 1 103 GLN HA 1 117 THR HB . . 4.630 4.168 3.952 4.347 . 0 0 "[ . 1 . 2]" 1
2279 1 103 GLN HA 1 118 LEU H . . 3.610 3.374 2.681 3.622 0.012 3 0 "[ . 1 . 2]" 1
2280 1 103 GLN HA 1 118 LEU HB2 . . 3.880 2.747 2.114 2.923 . 0 0 "[ . 1 . 2]" 1
2281 1 103 GLN HA 1 118 LEU HB3 . . 4.570 4.428 3.726 4.621 0.051 13 0 "[ . 1 . 2]" 1
2282 1 103 GLN HA 1 118 LEU MD1 . . 5.480 3.992 3.426 4.250 . 0 0 "[ . 1 . 2]" 1
2283 1 103 GLN HA 1 118 LEU QD . . 4.310 3.804 3.080 4.077 . 0 0 "[ . 1 . 2]" 1
2284 1 103 GLN HA 1 118 LEU MD2 . . 5.480 4.884 3.491 5.361 . 0 0 "[ . 1 . 2]" 1
2285 1 103 GLN HA 1 118 LEU HG . . 5.490 4.307 3.338 5.517 0.027 19 0 "[ . 1 . 2]" 1
2286 1 103 GLN HB2 1 103 GLN HE21 . . 4.510 3.814 2.581 4.331 . 0 0 "[ . 1 . 2]" 1
2287 1 103 GLN HB2 1 103 GLN HE22 . . 4.610 4.378 3.803 4.614 0.004 17 0 "[ . 1 . 2]" 1
2288 1 103 GLN HB2 1 104 GLN H . . 3.390 3.161 3.001 3.408 0.018 20 0 "[ . 1 . 2]" 1
2289 1 103 GLN HB2 1 104 GLN QE . . 3.750 2.687 1.813 3.371 . 0 0 "[ . 1 . 2]" 1
2290 1 103 GLN HB3 1 103 GLN HE21 . . 4.180 3.567 2.958 3.765 . 0 0 "[ . 1 . 2]" 1
2291 1 103 GLN HB3 1 103 GLN HE22 . . 4.260 4.196 3.680 4.294 0.034 13 0 "[ . 1 . 2]" 1
2292 1 103 GLN HB3 1 104 GLN H . . 5.030 4.084 3.905 4.347 . 0 0 "[ . 1 . 2]" 1
2293 1 103 GLN HE21 1 118 LEU HB2 . . 4.970 3.790 3.245 5.010 0.040 11 0 "[ . 1 . 2]" 1
2294 1 103 GLN HE21 1 118 LEU QD . . 4.940 3.559 3.120 4.519 . 0 0 "[ . 1 . 2]" 1
2295 1 103 GLN HE22 1 103 GLN QG . . 3.470 3.260 3.227 3.364 . 0 0 "[ . 1 . 2]" 1
2296 1 103 GLN HE22 1 118 LEU HB2 . . 5.350 5.106 4.906 5.382 0.032 14 0 "[ . 1 . 2]" 1
2297 1 103 GLN QG 1 105 ASN H . . 5.500 5.550 5.407 5.639 0.139 7 0 "[ . 1 . 2]" 1
2298 1 103 GLN QG 1 118 LEU H . . 4.290 4.067 3.807 4.224 . 0 0 "[ . 1 . 2]" 1
2299 1 103 GLN QG 1 118 LEU HB2 . . 3.960 1.940 1.800 2.010 . 0 0 "[ . 1 . 2]" 1
2300 1 103 GLN QG 1 118 LEU HB3 . . 4.310 2.979 2.429 3.231 . 0 0 "[ . 1 . 2]" 1
2301 1 103 GLN QG 1 118 LEU MD1 . . 4.680 2.603 1.902 3.844 . 0 0 "[ . 1 . 2]" 1
2302 1 103 GLN QG 1 118 LEU QD . . 3.670 2.306 1.898 2.578 . 0 0 "[ . 1 . 2]" 1
2303 1 103 GLN QG 1 118 LEU MD2 . . 4.680 3.861 1.937 4.379 . 0 0 "[ . 1 . 2]" 1
2304 1 104 GLN H 1 104 GLN HB2 . . 3.160 2.348 2.302 2.419 . 0 0 "[ . 1 . 2]" 1
2305 1 104 GLN H 1 104 GLN HB3 . . 3.670 3.560 3.528 3.630 . 0 0 "[ . 1 . 2]" 1
2306 1 104 GLN H 1 105 ASN H . . 2.940 2.023 1.932 2.113 . 0 0 "[ . 1 . 2]" 1
2307 1 104 GLN H 1 105 ASN HD21 . . 4.380 3.488 2.948 3.963 . 0 0 "[ . 1 . 2]" 1
2308 1 104 GLN H 1 105 ASN QD . . 3.780 3.181 2.891 3.408 . 0 0 "[ . 1 . 2]" 1
2309 1 104 GLN H 1 105 ASN HD22 . . 4.380 3.899 3.387 4.387 0.007 1 0 "[ . 1 . 2]" 1
2310 1 104 GLN H 1 117 THR MG . . 5.010 4.785 4.541 5.007 . 0 0 "[ . 1 . 2]" 1
2311 1 104 GLN H 1 118 LEU QD . . 5.440 5.254 4.574 5.463 0.023 13 0 "[ . 1 . 2]" 1
2312 1 104 GLN HA 1 104 GLN HG2 . . 3.730 3.409 2.692 3.654 . 0 0 "[ . 1 . 2]" 1
2313 1 104 GLN HA 1 104 GLN QG . . 3.160 2.324 2.158 2.511 . 0 0 "[ . 1 . 2]" 1
2314 1 104 GLN HA 1 104 GLN HG3 . . 3.730 2.386 2.179 2.559 . 0 0 "[ . 1 . 2]" 1
2315 1 104 GLN HA 1 106 SER H . . 5.500 5.518 5.428 5.559 0.059 8 0 "[ . 1 . 2]" 1
2316 1 104 GLN HA 1 117 THR MG . . 4.680 4.293 4.015 4.649 . 0 0 "[ . 1 . 2]" 1
2317 1 104 GLN HB2 1 105 ASN H . . 3.390 3.059 2.882 3.382 . 0 0 "[ . 1 . 2]" 1
2318 1 104 GLN HB2 1 105 ASN HD21 . . 3.650 2.952 2.639 3.342 . 0 0 "[ . 1 . 2]" 1
2319 1 104 GLN HB2 1 105 ASN QD . . 3.100 2.693 2.498 2.956 . 0 0 "[ . 1 . 2]" 1
2320 1 104 GLN HB2 1 105 ASN HD22 . . 3.650 3.125 2.946 3.296 . 0 0 "[ . 1 . 2]" 1
2321 1 104 GLN HB3 1 104 GLN QE . . 4.390 3.769 3.308 4.260 . 0 0 "[ . 1 . 2]" 1
2322 1 104 GLN HB3 1 105 ASN H . . 3.870 3.602 3.435 3.918 0.048 7 0 "[ . 1 . 2]" 1
2323 1 104 GLN HB3 1 105 ASN HD21 . . 4.290 3.378 2.805 4.271 . 0 0 "[ . 1 . 2]" 1
2324 1 104 GLN HB3 1 105 ASN QD . . 3.710 3.069 2.739 3.541 . 0 0 "[ . 1 . 2]" 1
2325 1 104 GLN HB3 1 105 ASN HD22 . . 4.290 3.816 3.308 4.265 . 0 0 "[ . 1 . 2]" 1
2326 1 105 ASN H 1 105 ASN HB2 . . 3.930 3.141 2.599 3.608 . 0 0 "[ . 1 . 2]" 1
2327 1 105 ASN H 1 105 ASN QB . . 3.240 2.874 2.551 3.190 . 0 0 "[ . 1 . 2]" 1
2328 1 105 ASN H 1 105 ASN HB3 . . 3.930 3.561 3.312 3.822 . 0 0 "[ . 1 . 2]" 1
2329 1 105 ASN H 1 105 ASN HD21 . . 3.930 2.448 1.877 2.917 . 0 0 "[ . 1 . 2]" 1
2330 1 105 ASN H 1 105 ASN QD . . 3.350 2.346 1.868 2.716 . 0 0 "[ . 1 . 2]" 1
2331 1 105 ASN H 1 105 ASN HD22 . . 3.930 3.248 2.771 3.861 . 0 0 "[ . 1 . 2]" 1
2332 1 105 ASN H 1 106 SER H . . 4.320 4.228 4.065 4.302 . 0 0 "[ . 1 . 2]" 1
2333 1 105 ASN H 1 106 SER HA . . 5.500 4.981 4.773 5.105 . 0 0 "[ . 1 . 2]" 1
2334 1 105 ASN H 1 117 THR MG . . 4.770 4.357 3.935 4.751 . 0 0 "[ . 1 . 2]" 1
2335 1 105 ASN HA 1 105 ASN HD21 . . 4.860 3.632 3.371 4.018 . 0 0 "[ . 1 . 2]" 1
2336 1 105 ASN HA 1 105 ASN QD . . 4.150 3.487 3.300 3.765 . 0 0 "[ . 1 . 2]" 1
2337 1 105 ASN HA 1 105 ASN HD22 . . 4.860 4.604 4.311 4.774 . 0 0 "[ . 1 . 2]" 1
2338 1 105 ASN HA 1 106 SER H . . 2.850 2.146 2.142 2.154 . 0 0 "[ . 1 . 2]" 1
2339 1 105 ASN HA 1 117 THR MG . . 4.600 4.439 4.163 4.628 0.028 8 0 "[ . 1 . 2]" 1
2340 1 105 ASN QB 1 105 ASN QD . . 3.070 2.266 2.185 2.327 . 0 0 "[ . 1 . 2]" 1
2341 1 105 ASN QB 1 106 SER H . . 3.660 3.457 3.425 3.508 . 0 0 "[ . 1 . 2]" 1
2342 1 105 ASN HB2 1 106 SER H . . 4.310 3.979 3.675 4.330 0.020 14 0 "[ . 1 . 2]" 1
2343 1 105 ASN HB3 1 106 SER H . . 4.310 3.899 3.604 4.153 . 0 0 "[ . 1 . 2]" 1
2344 1 106 SER H 1 106 SER HB2 . . 3.560 2.435 2.218 3.590 0.030 17 0 "[ . 1 . 2]" 1
2345 1 106 SER H 1 106 SER QB . . 2.960 2.228 2.143 2.439 . 0 0 "[ . 1 . 2]" 1
2346 1 106 SER H 1 106 SER HB3 . . 3.560 2.927 2.163 3.569 0.009 9 0 "[ . 1 . 2]" 1
2347 1 106 SER H 1 106 SER HG . . 4.160 4.041 3.630 4.302 0.142 8 0 "[ . 1 . 2]" 1
2348 1 106 SER H 1 117 THR MG . . 3.670 3.415 3.169 3.609 . 0 0 "[ . 1 . 2]" 1
2349 1 106 SER HA 1 107 LEU H . . 3.180 2.181 2.142 2.293 . 0 0 "[ . 1 . 2]" 1
2350 1 106 SER HA 1 107 LEU HG . . 5.500 4.660 3.886 5.543 0.043 1 0 "[ . 1 . 2]" 1
2351 1 106 SER HA 1 108 LYS H . . 4.010 3.664 3.550 3.881 . 0 0 "[ . 1 . 2]" 1
2352 1 106 SER HA 1 116 THR H . . 5.500 5.261 4.741 5.471 . 0 0 "[ . 1 . 2]" 1
2353 1 106 SER HA 1 117 THR MG . . 3.180 2.151 1.944 2.448 . 0 0 "[ . 1 . 2]" 1
2354 1 106 SER QB 1 107 LEU H . . 3.860 3.449 2.854 3.773 . 0 0 "[ . 1 . 2]" 1
2355 1 106 SER QB 1 108 LYS H . . 4.110 2.757 2.222 3.142 . 0 0 "[ . 1 . 2]" 1
2356 1 106 SER QB 1 108 LYS HB3 . . 4.270 3.219 2.648 3.552 . 0 0 "[ . 1 . 2]" 1
2357 1 106 SER QB 1 108 LYS QE . . 5.340 3.407 2.076 4.782 . 0 0 "[ . 1 . 2]" 1
2358 1 106 SER QB 1 108 LYS QG . . 3.590 2.435 2.167 3.463 . 0 0 "[ . 1 . 2]" 1
2359 1 106 SER QB 1 116 THR H . . 5.340 4.996 3.608 5.367 0.027 10 0 "[ . 1 . 2]" 1
2360 1 106 SER QB 1 117 THR MG . . 3.590 2.979 2.572 3.490 . 0 0 "[ . 1 . 2]" 1
2361 1 106 SER HB2 1 108 LYS HB3 . . 5.060 4.382 3.017 4.777 . 0 0 "[ . 1 . 2]" 1
2362 1 106 SER HB2 1 108 LYS QD . . 4.780 3.801 2.677 4.684 . 0 0 "[ . 1 . 2]" 1
2363 1 106 SER HB2 1 117 THR MG . . 4.120 3.206 2.607 4.046 . 0 0 "[ . 1 . 2]" 1
2364 1 106 SER HB3 1 108 LYS HB3 . . 5.060 3.444 2.686 4.836 . 0 0 "[ . 1 . 2]" 1
2365 1 106 SER HB3 1 108 LYS QD . . 4.780 3.319 2.353 4.257 . 0 0 "[ . 1 . 2]" 1
2366 1 106 SER HB3 1 117 THR MG . . 4.120 3.864 2.751 4.139 0.019 20 0 "[ . 1 . 2]" 1
2367 1 106 SER HG 1 108 LYS H . . 4.180 3.252 1.896 4.133 . 0 0 "[ . 1 . 2]" 1
2368 1 106 SER HG 1 116 THR H . . 5.150 4.177 3.419 5.185 0.035 17 0 "[ . 1 . 2]" 1
2369 1 106 SER HG 1 117 THR MG . . 4.970 2.697 2.130 4.863 . 0 0 "[ . 1 . 2]" 1
2370 1 107 LEU H 1 107 LEU HB2 . . 3.490 2.365 2.206 2.524 . 0 0 "[ . 1 . 2]" 1
2371 1 107 LEU H 1 107 LEU HB3 . . 4.170 3.560 3.510 3.586 . 0 0 "[ . 1 . 2]" 1
2372 1 107 LEU H 1 107 LEU MD1 . . 3.900 2.653 1.808 3.513 . 0 0 "[ . 1 . 2]" 1
2373 1 107 LEU H 1 107 LEU MD2 . . 3.900 3.793 3.418 4.015 0.115 1 0 "[ . 1 . 2]" 1
2374 1 107 LEU H 1 107 LEU HG . . 3.850 2.974 2.169 3.917 0.067 14 0 "[ . 1 . 2]" 1
2375 1 107 LEU H 1 116 THR H . . 4.630 4.059 3.467 4.341 . 0 0 "[ . 1 . 2]" 1
2376 1 107 LEU H 1 116 THR MG . . 4.960 4.674 4.353 4.832 . 0 0 "[ . 1 . 2]" 1
2377 1 107 LEU H 1 117 THR HA . . 3.730 2.815 2.424 3.306 . 0 0 "[ . 1 . 2]" 1
2378 1 107 LEU H 1 117 THR MG . . 3.880 3.480 3.209 3.890 0.010 8 0 "[ . 1 . 2]" 1
2379 1 107 LEU HA 1 107 LEU MD1 . . 4.050 3.411 2.687 3.921 . 0 0 "[ . 1 . 2]" 1
2380 1 107 LEU HA 1 107 LEU QD . . 3.020 2.508 2.067 2.804 . 0 0 "[ . 1 . 2]" 1
2381 1 107 LEU HA 1 107 LEU MD2 . . 4.050 2.972 2.075 3.813 . 0 0 "[ . 1 . 2]" 1
2382 1 107 LEU HA 1 107 LEU HG . . 3.650 2.651 2.356 3.019 . 0 0 "[ . 1 . 2]" 1
2383 1 107 LEU HB2 1 107 LEU MD1 . . 3.470 2.167 1.999 2.327 . 0 0 "[ . 1 . 2]" 1
2384 1 107 LEU HB2 1 107 LEU QD . . 3.010 2.071 1.977 2.273 . 0 0 "[ . 1 . 2]" 1
2385 1 107 LEU HB2 1 107 LEU MD2 . . 3.470 2.828 2.386 3.191 . 0 0 "[ . 1 . 2]" 1
2386 1 107 LEU HB2 1 108 LYS H . . 4.050 3.232 3.068 3.397 . 0 0 "[ . 1 . 2]" 1
2387 1 107 LEU HB2 1 111 PHE QB . . 5.340 4.289 3.773 4.784 . 0 0 "[ . 1 . 2]" 1
2388 1 107 LEU HB2 1 114 LEU H . . 5.500 5.329 4.795 5.531 0.031 14 0 "[ . 1 . 2]" 1
2389 1 107 LEU HB2 1 114 LEU HB2 . . 4.540 3.431 2.964 3.721 . 0 0 "[ . 1 . 2]" 1
2390 1 107 LEU HB2 1 114 LEU HB3 . . 4.490 2.446 2.066 2.901 . 0 0 "[ . 1 . 2]" 1
2391 1 107 LEU HB2 1 114 LEU QD . . 4.160 3.248 2.977 3.659 . 0 0 "[ . 1 . 2]" 1
2392 1 107 LEU HB2 1 116 THR H . . 3.810 3.409 3.020 3.721 . 0 0 "[ . 1 . 2]" 1
2393 1 107 LEU HB2 1 116 THR MG . . 4.350 4.063 3.841 4.367 0.017 4 0 "[ . 1 . 2]" 1
2394 1 107 LEU HB3 1 107 LEU MD1 . . 3.360 2.853 2.388 3.193 . 0 0 "[ . 1 . 2]" 1
2395 1 107 LEU HB3 1 107 LEU MD2 . . 3.360 2.229 2.024 2.326 . 0 0 "[ . 1 . 2]" 1
2396 1 107 LEU HB3 1 108 LYS H . . 4.700 3.964 3.810 4.078 . 0 0 "[ . 1 . 2]" 1
2397 1 107 LEU HB3 1 111 PHE QB . . 4.720 3.173 2.471 3.710 . 0 0 "[ . 1 . 2]" 1
2398 1 107 LEU HB3 1 111 PHE QD . . 4.510 2.868 2.071 4.355 . 0 0 "[ . 1 . 2]" 1
2399 1 107 LEU QD 1 108 LYS H . . 4.600 4.133 3.782 4.363 . 0 0 "[ . 1 . 2]" 1
2400 1 107 LEU QD 1 111 PHE QD . . 5.270 2.972 2.002 4.345 . 0 0 "[ . 1 . 2]" 1
2401 1 107 LEU QD 1 114 LEU HA . . 5.440 4.772 4.286 5.274 . 0 0 "[ . 1 . 2]" 1
2402 1 107 LEU QD 1 114 LEU HB2 . . 4.030 3.489 2.821 3.903 . 0 0 "[ . 1 . 2]" 1
2403 1 107 LEU QD 1 114 LEU HB3 . . 3.540 2.824 2.447 3.279 . 0 0 "[ . 1 . 2]" 1
2404 1 107 LEU QD 1 114 LEU QD . . 3.310 2.142 1.696 2.856 . 0 0 "[ . 1 . 2]" 1
2405 1 107 LEU QD 1 116 THR H . . 4.740 3.914 3.538 4.251 . 0 0 "[ . 1 . 2]" 1
2406 1 107 LEU QD 1 117 THR HA . . 4.390 2.110 1.753 2.539 . 0 0 "[ . 1 . 2]" 1
2407 1 107 LEU QD 1 118 LEU H . . 4.570 2.908 2.594 3.254 . 0 0 "[ . 1 . 2]" 1
2408 1 107 LEU QD 1 118 LEU HA . . 5.440 4.124 3.678 4.430 . 0 0 "[ . 1 . 2]" 1
2409 1 107 LEU QD 1 118 LEU QD . . 2.810 2.505 1.960 2.857 0.047 14 0 "[ . 1 . 2]" 1
2410 1 107 LEU QD 1 118 LEU HG . . 5.110 3.374 2.887 4.397 . 0 0 "[ . 1 . 2]" 1
2411 1 107 LEU MD1 1 108 LYS H . . 5.310 4.442 3.901 4.970 . 0 0 "[ . 1 . 2]" 1
2412 1 107 LEU MD1 1 114 LEU HB3 . . 4.910 3.356 2.464 4.500 . 0 0 "[ . 1 . 2]" 1
2413 1 107 LEU MD2 1 108 LYS H . . 5.310 5.043 4.790 5.250 . 0 0 "[ . 1 . 2]" 1
2414 1 107 LEU MD2 1 114 LEU HB3 . . 4.910 3.782 2.574 4.774 . 0 0 "[ . 1 . 2]" 1
2415 1 108 LYS H 1 108 LYS HB2 . . 3.520 3.495 3.439 3.523 0.003 4 0 "[ . 1 . 2]" 1
2416 1 108 LYS H 1 108 LYS HB3 . . 3.150 2.191 2.124 2.236 . 0 0 "[ . 1 . 2]" 1
2417 1 108 LYS H 1 108 LYS QD . . 4.340 3.883 3.459 4.407 0.067 4 0 "[ . 1 . 2]" 1
2418 1 108 LYS H 1 108 LYS QE . . 5.200 4.750 3.399 5.195 . 0 0 "[ . 1 . 2]" 1
2419 1 108 LYS H 1 108 LYS QG . . 3.510 2.828 2.704 3.063 . 0 0 "[ . 1 . 2]" 1
2420 1 108 LYS H 1 109 ASP H . . 3.710 2.651 2.559 2.732 . 0 0 "[ . 1 . 2]" 1
2421 1 108 LYS H 1 110 CYS H . . 4.880 4.532 4.380 4.728 . 0 0 "[ . 1 . 2]" 1
2422 1 108 LYS H 1 115 ASP HA . . 3.640 3.542 3.307 3.673 0.033 13 0 "[ . 1 . 2]" 1
2423 1 108 LYS H 1 116 THR H . . 4.290 3.870 3.219 4.189 . 0 0 "[ . 1 . 2]" 1
2424 1 108 LYS H 1 117 THR MG . . 4.990 4.861 4.647 5.022 0.032 17 0 "[ . 1 . 2]" 1
2425 1 108 LYS HA 1 108 LYS QD . . 4.530 4.303 4.188 4.407 . 0 0 "[ . 1 . 2]" 1
2426 1 108 LYS HA 1 108 LYS HG2 . . 3.880 3.770 3.643 3.900 0.020 3 0 "[ . 1 . 2]" 1
2427 1 108 LYS HA 1 108 LYS HG3 . . 3.880 3.581 3.492 3.729 . 0 0 "[ . 1 . 2]" 1
2428 1 108 LYS HA 1 111 PHE H . . 4.030 3.669 3.330 4.031 0.001 8 0 "[ . 1 . 2]" 1
2429 1 108 LYS HA 1 111 PHE QB . . 4.540 3.768 3.378 4.358 . 0 0 "[ . 1 . 2]" 1
2430 1 108 LYS HB2 1 108 LYS QE . . 4.440 3.509 2.361 4.316 . 0 0 "[ . 1 . 2]" 1
2431 1 108 LYS HB2 1 109 ASP H . . 4.530 4.281 4.177 4.351 . 0 0 "[ . 1 . 2]" 1
2432 1 108 LYS HB2 1 115 ASP HA . . 3.490 2.498 2.267 2.809 . 0 0 "[ . 1 . 2]" 1
2433 1 108 LYS HB2 1 115 ASP QB . . 4.980 3.916 3.600 4.290 . 0 0 "[ . 1 . 2]" 1
2434 1 108 LYS HB2 1 116 THR H . . 5.450 5.068 4.418 5.467 0.017 10 0 "[ . 1 . 2]" 1
2435 1 108 LYS HB3 1 108 LYS QE . . 4.560 3.602 1.976 4.066 . 0 0 "[ . 1 . 2]" 1
2436 1 108 LYS HB3 1 109 ASP H . . 4.150 3.836 3.656 3.912 . 0 0 "[ . 1 . 2]" 1
2437 1 108 LYS HB3 1 115 ASP H . . 4.910 4.757 4.542 4.864 . 0 0 "[ . 1 . 2]" 1
2438 1 108 LYS HB3 1 115 ASP HA . . 3.670 1.963 1.927 2.001 . 0 0 "[ . 1 . 2]" 1
2439 1 108 LYS HB3 1 115 ASP HB2 . . 4.850 4.540 4.180 4.918 0.068 18 0 "[ . 1 . 2]" 1
2440 1 108 LYS HB3 1 115 ASP QB . . 4.090 3.918 3.612 4.141 0.051 17 0 "[ . 1 . 2]" 1
2441 1 108 LYS HB3 1 115 ASP HB3 . . 4.850 4.414 3.917 4.899 0.049 19 0 "[ . 1 . 2]" 1
2442 1 108 LYS HB3 1 116 THR H . . 4.270 3.861 3.213 4.203 . 0 0 "[ . 1 . 2]" 1
2443 1 108 LYS QD 1 109 ASP H . . 4.680 4.537 4.146 4.691 0.011 19 0 "[ . 1 . 2]" 1
2444 1 108 LYS QD 1 115 ASP QB . . 4.330 3.935 3.575 4.331 0.001 4 0 "[ . 1 . 2]" 1
2445 1 108 LYS QE 1 108 LYS HG2 . . 3.620 2.669 2.141 3.455 . 0 0 "[ . 1 . 2]" 1
2446 1 108 LYS QE 1 108 LYS HG3 . . 3.620 2.587 2.084 3.299 . 0 0 "[ . 1 . 2]" 1
2447 1 108 LYS QE 1 115 ASP HA . . 5.330 4.668 2.821 5.342 0.012 14 0 "[ . 1 . 2]" 1
2448 1 108 LYS QG 1 109 ASP H . . 3.790 2.546 2.276 2.747 . 0 0 "[ . 1 . 2]" 1
2449 1 108 LYS QG 1 109 ASP HA . . 4.160 3.039 2.921 3.156 . 0 0 "[ . 1 . 2]" 1
2450 1 108 LYS QG 1 115 ASP QB . . 5.180 5.188 4.872 5.336 0.156 3 0 "[ . 1 . 2]" 1
2451 1 108 LYS HG2 1 109 ASP H . . 4.450 2.658 2.317 2.969 . 0 0 "[ . 1 . 2]" 1
2452 1 108 LYS HG2 1 109 ASP HA . . 4.730 3.690 3.131 4.047 . 0 0 "[ . 1 . 2]" 1
2453 1 108 LYS HG2 1 115 ASP HA . . 4.630 4.390 4.173 4.570 . 0 0 "[ . 1 . 2]" 1
2454 1 108 LYS HG3 1 109 ASP H . . 4.450 3.386 2.982 3.796 . 0 0 "[ . 1 . 2]" 1
2455 1 108 LYS HG3 1 109 ASP HA . . 4.730 3.289 3.021 3.610 . 0 0 "[ . 1 . 2]" 1
2456 1 108 LYS HG3 1 115 ASP HA . . 4.630 4.595 4.257 4.739 0.109 9 0 "[ . 1 . 2]" 1
2457 1 109 ASP H 1 109 ASP QB . . 3.090 2.255 2.162 2.476 . 0 0 "[ . 1 . 2]" 1
2458 1 109 ASP H 1 110 CYS H . . 3.270 2.710 2.521 2.950 . 0 0 "[ . 1 . 2]" 1
2459 1 109 ASP HA 2 11 ASN HD21 . . 5.500 5.095 4.198 5.518 0.018 10 0 "[ . 1 . 2]" 1
2460 1 109 ASP QB 1 110 CYS H . . 3.450 2.627 2.367 2.845 . 0 0 "[ . 1 . 2]" 1
2461 1 109 ASP QB 1 110 CYS HB2 . . 4.880 4.411 4.128 4.733 . 0 0 "[ . 1 . 2]" 1
2462 1 110 CYS H 1 110 CYS HB2 . . 3.800 2.554 2.420 2.764 . 0 0 "[ . 1 . 2]" 1
2463 1 110 CYS H 1 110 CYS HB3 . . 3.780 3.687 3.634 3.801 0.021 9 0 "[ . 1 . 2]" 1
2464 1 110 CYS H 1 111 PHE H . . 3.020 2.302 2.082 2.519 . 0 0 "[ . 1 . 2]" 1
2465 1 110 CYS H 2 11 ASN HD21 . . 5.000 4.566 3.904 5.000 0.000 3 0 "[ . 1 . 2]" 1
2466 1 110 CYS HA 2 11 ASN HB2 . . 4.170 3.553 2.717 3.912 . 0 0 "[ . 1 . 2]" 1
2467 1 110 CYS HA 2 11 ASN HD21 . . 3.890 3.243 2.365 3.780 . 0 0 "[ . 1 . 2]" 1
2468 1 110 CYS HB2 1 111 PHE H . . 4.430 2.387 2.139 2.810 . 0 0 "[ . 1 . 2]" 1
2469 1 110 CYS HB2 1 111 PHE HB2 . . 5.500 4.337 3.927 4.640 . 0 0 "[ . 1 . 2]" 1
2470 1 110 CYS HB2 1 111 PHE HB3 . . 5.500 5.363 5.197 5.499 . 0 0 "[ . 1 . 2]" 1
2471 1 110 CYS HB2 1 111 PHE QD . . 4.170 3.485 2.222 3.944 . 0 0 "[ . 1 . 2]" 1
2472 1 110 CYS HB3 1 111 PHE H . . 4.040 3.509 3.184 3.887 . 0 0 "[ . 1 . 2]" 1
2473 1 110 CYS HB3 1 111 PHE QD . . 4.360 3.946 2.755 4.302 . 0 0 "[ . 1 . 2]" 1
2474 1 110 CYS HB3 1 111 PHE QE . . 4.400 4.116 3.400 4.394 . 0 0 "[ . 1 . 2]" 1
2475 1 110 CYS HB3 2 10 PRO HA . . 5.020 3.845 2.700 4.774 . 0 0 "[ . 1 . 2]" 1
2476 1 111 PHE H 1 111 PHE QB . . 3.670 2.482 2.267 2.692 . 0 0 "[ . 1 . 2]" 1
2477 1 111 PHE H 1 111 PHE QD . . 3.790 3.111 2.506 3.466 . 0 0 "[ . 1 . 2]" 1
2478 1 111 PHE H 1 112 LYS H . . 4.720 4.273 3.662 4.592 . 0 0 "[ . 1 . 2]" 1
2479 1 111 PHE H 2 11 ASN HD22 . . 5.100 4.659 4.344 4.934 . 0 0 "[ . 1 . 2]" 1
2480 1 111 PHE QB 1 112 LYS H . . 3.890 3.154 2.268 3.883 . 0 0 "[ . 1 . 2]" 1
2481 1 111 PHE QB 1 114 LEU HA . . 5.340 4.690 4.397 4.935 . 0 0 "[ . 1 . 2]" 1
2482 1 111 PHE QB 1 114 LEU HB2 . . 3.610 2.351 2.048 2.764 . 0 0 "[ . 1 . 2]" 1
2483 1 111 PHE QB 1 114 LEU HB3 . . 5.170 3.757 3.249 4.101 . 0 0 "[ . 1 . 2]" 1
2484 1 111 PHE QB 1 114 LEU QD . . 3.440 2.887 2.389 3.398 . 0 0 "[ . 1 . 2]" 1
2485 1 111 PHE QB 1 114 LEU HG . . 4.740 4.174 3.515 4.743 0.003 1 0 "[ . 1 . 2]" 1
2486 1 111 PHE HB2 1 112 LYS H . . 4.470 4.091 3.402 4.526 0.056 15 0 "[ . 1 . 2]" 1
2487 1 111 PHE HB2 1 113 SER H . . 4.960 4.256 3.689 4.976 0.016 15 0 "[ . 1 . 2]" 1
2488 1 111 PHE HB2 1 114 LEU H . . 3.940 3.066 2.677 3.568 . 0 0 "[ . 1 . 2]" 1
2489 1 111 PHE HB2 1 114 LEU HB2 . . 4.160 2.432 2.088 2.848 . 0 0 "[ . 1 . 2]" 1
2490 1 111 PHE HB3 1 112 LYS H . . 4.470 3.321 2.290 4.262 . 0 0 "[ . 1 . 2]" 1
2491 1 111 PHE HB3 1 113 SER H . . 4.960 3.185 2.487 3.762 . 0 0 "[ . 1 . 2]" 1
2492 1 111 PHE HB3 1 114 LEU H . . 3.940 2.831 2.444 3.236 . 0 0 "[ . 1 . 2]" 1
2493 1 111 PHE HB3 1 114 LEU HB2 . . 4.160 3.203 2.485 3.733 . 0 0 "[ . 1 . 2]" 1
2494 1 111 PHE QD 1 112 LYS H . . 4.590 4.090 3.645 4.544 . 0 0 "[ . 1 . 2]" 1
2495 1 111 PHE QD 1 114 LEU H . . 4.690 4.431 3.478 4.700 0.010 10 0 "[ . 1 . 2]" 1
2496 1 111 PHE QD 1 114 LEU HB2 . . 4.850 3.363 2.776 4.551 . 0 0 "[ . 1 . 2]" 1
2497 1 111 PHE QD 1 114 LEU QD . . 3.940 2.903 2.078 3.925 . 0 0 "[ . 1 . 2]" 1
2498 1 111 PHE QD 2 8 GLU HA . . 5.500 5.072 4.569 5.408 . 0 0 "[ . 1 . 2]" 1
2499 1 111 PHE QD 2 8 GLU HB2 . . 4.450 3.688 3.160 4.347 . 0 0 "[ . 1 . 2]" 1
2500 1 111 PHE QD 2 8 GLU QB . . 3.790 3.017 2.170 3.469 . 0 0 "[ . 1 . 2]" 1
2501 1 111 PHE QD 2 8 GLU HB3 . . 4.450 3.270 2.204 4.205 . 0 0 "[ . 1 . 2]" 1
2502 1 111 PHE QD 2 9 SER H . . 4.740 3.885 2.937 4.562 . 0 0 "[ . 1 . 2]" 1
2503 1 111 PHE QD 2 10 PRO HA . . 3.570 2.283 1.993 2.967 . 0 0 "[ . 1 . 2]" 1
2504 1 111 PHE QD 2 10 PRO QB . . 4.630 3.717 3.103 4.211 . 0 0 "[ . 1 . 2]" 1
2505 1 111 PHE QD 2 10 PRO QD . . 4.710 4.005 3.565 4.712 0.002 5 0 "[ . 1 . 2]" 1
2506 1 111 PHE QD 2 10 PRO QG . . 5.180 4.892 4.554 5.175 . 0 0 "[ . 1 . 2]" 1
2507 1 111 PHE QD 2 11 ASN H . . 4.500 3.990 2.990 4.521 0.021 15 0 "[ . 1 . 2]" 1
2508 1 111 PHE QE 2 8 GLU HB2 . . 4.600 3.456 2.004 3.970 . 0 0 "[ . 1 . 2]" 1
2509 1 111 PHE QE 2 8 GLU QB . . 3.940 3.209 1.850 3.645 . 0 0 "[ . 1 . 2]" 1
2510 1 111 PHE QE 2 8 GLU HB3 . . 4.600 3.829 2.126 4.479 . 0 0 "[ . 1 . 2]" 1
2511 1 111 PHE QE 2 10 PRO HA . . 4.260 2.919 2.064 3.344 . 0 0 "[ . 1 . 2]" 1
2512 1 111 PHE QE 2 10 PRO QB . . 4.530 2.894 2.007 3.314 . 0 0 "[ . 1 . 2]" 1
2513 1 111 PHE QE 2 10 PRO QD . . 4.870 2.689 2.055 3.369 . 0 0 "[ . 1 . 2]" 1
2514 1 111 PHE QE 2 10 PRO QG . . 4.060 3.872 3.508 4.064 0.004 9 0 "[ . 1 . 2]" 1
2515 1 111 PHE QE 2 11 ASN H . . 5.450 5.028 4.154 5.492 0.042 14 0 "[ . 1 . 2]" 1
2516 1 111 PHE HZ 2 8 GLU QB . . 4.730 3.949 3.454 4.457 . 0 0 "[ . 1 . 2]" 1
2517 1 111 PHE HZ 2 10 PRO QB . . 5.050 4.392 3.357 5.043 . 0 0 "[ . 1 . 2]" 1
2518 1 112 LYS H 1 112 LYS QB . . 3.240 2.384 2.106 2.851 . 0 0 "[ . 1 . 2]" 1
2519 1 112 LYS H 1 112 LYS QD . . 4.500 2.898 1.850 4.440 . 0 0 "[ . 1 . 2]" 1
2520 1 112 LYS H 1 112 LYS QG . . 4.110 3.412 1.883 4.140 0.030 6 0 "[ . 1 . 2]" 1
2521 1 112 LYS H 1 113 SER H . . 4.040 2.535 1.883 3.076 . 0 0 "[ . 1 . 2]" 1
2522 1 112 LYS H 1 113 SER QB . . 5.030 4.401 3.704 5.042 0.012 9 0 "[ . 1 . 2]" 1
2523 1 112 LYS H 1 114 LEU H . . 4.780 4.297 3.622 4.763 . 0 0 "[ . 1 . 2]" 1
2524 1 112 LYS H 2 11 ASN H . . 4.950 4.398 3.384 4.950 . 16 0 "[ . 1 . 2]" 1
2525 1 112 LYS H 2 11 ASN HB2 . . 5.260 4.854 4.167 5.283 0.023 5 0 "[ . 1 . 2]" 1
2526 1 112 LYS H 2 11 ASN HD21 . . 4.200 3.430 1.991 4.159 . 0 0 "[ . 1 . 2]" 1
2527 1 112 LYS H 2 11 ASN HD22 . . 3.840 2.680 1.811 3.394 . 0 0 "[ . 1 . 2]" 1
2528 1 112 LYS HA 1 112 LYS QD . . 4.060 3.201 2.136 4.183 0.123 1 0 "[ . 1 . 2]" 1
2529 1 112 LYS HA 1 112 LYS QE . . 4.760 4.369 3.876 4.845 0.085 1 0 "[ . 1 . 2]" 1
2530 1 112 LYS HA 1 112 LYS QG . . 3.560 2.981 2.139 3.421 . 0 0 "[ . 1 . 2]" 1
2531 1 112 LYS HA 1 114 LEU H . . 4.790 4.600 4.067 4.763 . 0 0 "[ . 1 . 2]" 1
2532 1 112 LYS HA 2 11 ASN HD21 . . 4.420 4.140 3.510 4.423 0.003 9 0 "[ . 1 . 2]" 1
2533 1 112 LYS HA 2 11 ASN HD22 . . 4.150 2.667 2.009 3.011 . 0 0 "[ . 1 . 2]" 1
2534 1 112 LYS QB 1 112 LYS QE . . 3.630 2.539 2.317 3.457 . 0 0 "[ . 1 . 2]" 1
2535 1 112 LYS QB 1 113 SER H . . 4.060 3.092 2.151 3.719 . 0 0 "[ . 1 . 2]" 1
2536 1 112 LYS QB 2 11 ASN HD21 . . 4.220 3.654 3.297 4.067 . 0 0 "[ . 1 . 2]" 1
2537 1 112 LYS QB 2 11 ASN HD22 . . 3.810 2.265 1.911 2.767 . 0 0 "[ . 1 . 2]" 1
2538 1 112 LYS QD 1 113 SER H . . 4.940 3.985 2.833 4.998 0.058 9 0 "[ . 1 . 2]" 1
2539 1 112 LYS QD 2 11 ASN HB2 . . 4.990 4.724 4.072 5.000 0.010 10 0 "[ . 1 . 2]" 1
2540 1 112 LYS QD 2 11 ASN HB3 . . 5.010 4.654 3.431 4.998 . 0 0 "[ . 1 . 2]" 1
2541 1 112 LYS QD 2 11 ASN HD22 . . 4.670 2.742 1.880 3.534 . 0 0 "[ . 1 . 2]" 1
2542 1 112 LYS QE 1 112 LYS QG . . 3.220 2.246 1.989 2.530 . 0 0 "[ . 1 . 2]" 1
2543 1 112 LYS QE 2 11 ASN HD21 . . 4.820 4.358 3.333 4.868 0.048 10 0 "[ . 1 . 2]" 1
2544 1 112 LYS QE 2 13 GLU H . . 5.500 4.673 3.147 5.510 0.010 15 0 "[ . 1 . 2]" 1
2545 1 112 LYS QE 2 13 GLU QG . . 4.870 3.955 2.571 4.806 . 0 0 "[ . 1 . 2]" 1
2546 1 112 LYS QG 1 113 SER H . . 4.380 3.119 2.222 4.133 . 0 0 "[ . 1 . 2]" 1
2547 1 112 LYS QG 1 113 SER HA . . 4.440 3.717 2.923 4.451 0.011 15 0 "[ . 1 . 2]" 1
2548 1 112 LYS QG 1 113 SER QB . . 5.390 4.187 3.024 5.389 . 0 0 "[ . 1 . 2]" 1
2549 1 112 LYS QG 2 11 ASN HD21 . . 5.470 5.146 2.774 5.482 0.012 4 0 "[ . 1 . 2]" 1
2550 1 112 LYS QG 2 11 ASN HD22 . . 4.590 3.915 2.901 4.307 . 0 0 "[ . 1 . 2]" 1
2551 1 113 SER H 1 113 SER QB . . 3.500 2.315 2.151 2.582 . 0 0 "[ . 1 . 2]" 1
2552 1 113 SER H 1 114 LEU H . . 3.720 2.725 2.329 3.057 . 0 0 "[ . 1 . 2]" 1
2553 1 113 SER QB 1 114 LEU QD . . 4.750 3.466 2.375 4.301 . 0 0 "[ . 1 . 2]" 1
2554 1 114 LEU H 1 114 LEU HB2 . . 3.270 2.204 2.160 2.315 . 0 0 "[ . 1 . 2]" 1
2555 1 114 LEU H 1 114 LEU HB3 . . 3.590 3.498 3.469 3.556 . 0 0 "[ . 1 . 2]" 1
2556 1 114 LEU H 1 114 LEU MD1 . . 4.720 3.488 2.240 4.065 . 0 0 "[ . 1 . 2]" 1
2557 1 114 LEU H 1 114 LEU QD . . 3.570 3.010 2.038 3.473 . 0 0 "[ . 1 . 2]" 1
2558 1 114 LEU H 1 114 LEU MD2 . . 4.720 3.780 2.045 4.389 . 0 0 "[ . 1 . 2]" 1
2559 1 114 LEU H 1 114 LEU HG . . 4.190 3.412 2.587 4.079 . 0 0 "[ . 1 . 2]" 1
2560 1 114 LEU H 1 115 ASP H . . 4.620 4.230 4.047 4.420 . 0 0 "[ . 1 . 2]" 1
2561 1 114 LEU HA 1 114 LEU QD . . 3.360 2.290 1.904 2.842 . 0 0 "[ . 1 . 2]" 1
2562 1 114 LEU HA 1 114 LEU HG . . 3.910 2.779 2.266 3.709 . 0 0 "[ . 1 . 2]" 1
2563 1 114 LEU HA 1 115 ASP H . . 3.320 2.195 2.138 2.280 . 0 0 "[ . 1 . 2]" 1
2564 1 114 LEU HA 1 115 ASP HA . . 5.010 4.429 4.392 4.474 . 0 0 "[ . 1 . 2]" 1
2565 1 114 LEU HA 1 115 ASP QB . . 4.910 4.272 4.085 4.760 . 0 0 "[ . 1 . 2]" 1
2566 1 114 LEU HA 1 116 THR H . . 3.860 3.508 3.296 3.754 . 0 0 "[ . 1 . 2]" 1
2567 1 114 LEU HA 1 116 THR MG . . 4.170 3.752 3.579 3.963 . 0 0 "[ . 1 . 2]" 1
2568 1 114 LEU HB2 1 114 LEU QD . . 3.100 2.120 1.963 2.395 . 0 0 "[ . 1 . 2]" 1
2569 1 114 LEU HB3 1 116 THR MG . . 4.000 3.557 3.108 3.979 . 0 0 "[ . 1 . 2]" 1
2570 1 114 LEU QD 1 115 ASP H . . 4.540 3.658 3.239 4.384 . 0 0 "[ . 1 . 2]" 1
2571 1 114 LEU QD 1 116 THR H . . 4.150 3.455 3.064 4.108 . 0 0 "[ . 1 . 2]" 1
2572 1 114 LEU QD 1 116 THR MG . . 3.180 2.594 2.192 3.122 . 0 0 "[ . 1 . 2]" 1
2573 1 114 LEU QD 2 8 GLU H . . 5.130 4.755 4.201 5.141 0.011 5 0 "[ . 1 . 2]" 1
2574 1 114 LEU QD 2 8 GLU QB . . 3.450 3.033 2.193 3.348 . 0 0 "[ . 1 . 2]" 1
2575 1 114 LEU QD 2 8 GLU QG . . 3.840 2.215 1.772 3.542 . 0 0 "[ . 1 . 2]" 1
2576 1 115 ASP H 1 115 ASP HB2 . . 3.730 2.540 2.246 3.537 . 0 0 "[ . 1 . 2]" 1
2577 1 115 ASP H 1 115 ASP HB3 . . 3.730 3.086 2.631 3.642 . 0 0 "[ . 1 . 2]" 1
2578 1 115 ASP H 1 116 THR H . . 4.060 2.844 2.442 3.211 . 0 0 "[ . 1 . 2]" 1
2579 1 115 ASP H 1 116 THR MG . . 4.550 3.590 3.329 3.796 . 0 0 "[ . 1 . 2]" 1
2580 1 115 ASP HA 1 116 THR H . . 3.190 2.922 2.741 3.107 . 0 0 "[ . 1 . 2]" 1
2581 1 115 ASP QB 1 116 THR H . . 3.820 3.800 3.694 3.913 0.093 17 0 "[ . 1 . 2]" 1
2582 1 115 ASP QB 1 116 THR HB . . 5.210 4.144 3.996 4.448 . 0 0 "[ . 1 . 2]" 1
2583 1 115 ASP QB 1 116 THR MG . . 4.720 4.399 4.195 4.724 0.004 10 0 "[ . 1 . 2]" 1
2584 1 115 ASP HB2 1 116 THR H . . 4.680 4.356 3.999 4.580 . 0 0 "[ . 1 . 2]" 1
2585 1 115 ASP HB3 1 116 THR H . . 4.680 4.227 3.989 4.616 . 0 0 "[ . 1 . 2]" 1
2586 1 116 THR H 1 116 THR HB . . 4.060 3.284 3.191 3.456 . 0 0 "[ . 1 . 2]" 1
2587 1 116 THR H 1 116 THR HG1 . . 4.700 4.556 4.458 4.685 . 0 0 "[ . 1 . 2]" 1
2588 1 116 THR H 1 116 THR MG . . 3.060 2.542 2.396 2.749 . 0 0 "[ . 1 . 2]" 1
2589 1 116 THR H 1 117 THR MG . . 5.220 4.934 4.711 5.112 . 0 0 "[ . 1 . 2]" 1
2590 1 116 THR HB 1 117 THR H . . 3.960 3.822 3.572 3.948 . 0 0 "[ . 1 . 2]" 1
2591 1 116 THR HB 1 119 GLN QE . . 4.140 3.724 3.442 3.951 . 0 0 "[ . 1 . 2]" 1
2592 1 116 THR HG1 1 116 THR MG . . 2.980 2.120 1.971 2.310 . 0 0 "[ . 1 . 2]" 1
2593 1 116 THR HG1 1 117 THR H . . 2.830 2.191 1.902 2.527 . 0 0 "[ . 1 . 2]" 1
2594 1 116 THR HG1 1 117 THR MG . . 4.110 3.718 3.458 3.884 . 0 0 "[ . 1 . 2]" 1
2595 1 116 THR HG1 1 119 GLN H . . 4.750 4.680 4.548 4.763 0.013 3 0 "[ . 1 . 2]" 1
2596 1 116 THR HG1 1 119 GLN HG2 . . 4.330 3.542 2.759 4.323 . 0 0 "[ . 1 . 2]" 1
2597 1 116 THR HG1 1 119 GLN QG . . 3.520 2.799 2.631 3.006 . 0 0 "[ . 1 . 2]" 1
2598 1 116 THR HG1 1 119 GLN HG3 . . 4.330 3.147 2.693 3.829 . 0 0 "[ . 1 . 2]" 1
2599 1 116 THR MG 1 117 THR H . . 3.590 3.309 2.945 3.585 . 0 0 "[ . 1 . 2]" 1
2600 1 116 THR MG 1 119 GLN HE21 . . 4.870 3.546 3.119 3.772 . 0 0 "[ . 1 . 2]" 1
2601 1 116 THR MG 1 119 GLN QE . . 4.260 3.424 3.028 3.641 . 0 0 "[ . 1 . 2]" 1
2602 1 116 THR MG 1 119 GLN HE22 . . 4.870 4.552 4.095 4.878 0.008 8 0 "[ . 1 . 2]" 1
2603 1 116 THR MG 1 119 GLN QG . . 4.720 3.765 3.274 4.219 . 0 0 "[ . 1 . 2]" 1
2604 1 117 THR H 1 117 THR MG . . 3.210 1.979 1.835 2.165 . 0 0 "[ . 1 . 2]" 1
2605 1 117 THR H 1 118 LEU H . . 4.700 4.484 4.428 4.534 . 0 0 "[ . 1 . 2]" 1
2606 1 117 THR H 1 119 GLN QE . . 4.290 3.519 2.743 4.107 . 0 0 "[ . 1 . 2]" 1
2607 1 117 THR H 1 119 GLN QG . . 4.170 3.799 3.404 4.186 0.016 11 0 "[ . 1 . 2]" 1
2608 1 117 THR HA 1 117 THR MG . . 3.280 3.098 3.068 3.111 . 0 0 "[ . 1 . 2]" 1
2609 1 117 THR HA 1 118 LEU H . . 3.430 2.444 2.363 2.520 . 0 0 "[ . 1 . 2]" 1
2610 1 117 THR HA 1 118 LEU HG . . 5.500 4.349 3.963 5.666 0.166 19 0 "[ . 1 . 2]" 1
2611 1 117 THR HB 1 118 LEU H . . 3.480 3.283 3.131 3.383 . 0 0 "[ . 1 . 2]" 1
2612 1 117 THR MG 1 119 GLN HA . . 4.860 4.726 4.650 4.817 . 0 0 "[ . 1 . 2]" 1
2613 1 117 THR MG 1 119 GLN QE . . 4.570 4.044 2.764 4.583 0.013 10 0 "[ . 1 . 2]" 1
2614 1 118 LEU H 1 118 LEU HB3 . . 3.990 3.576 3.562 3.587 . 0 0 "[ . 1 . 2]" 1
2615 1 118 LEU H 1 118 LEU MD1 . . 4.000 3.207 1.731 3.646 . 0 0 "[ . 1 . 2]" 1
2616 1 118 LEU H 1 118 LEU QD . . 3.470 2.505 1.726 2.938 . 0 0 "[ . 1 . 2]" 1
2617 1 118 LEU H 1 118 LEU MD2 . . 4.000 2.920 2.435 3.463 . 0 0 "[ . 1 . 2]" 1
2618 1 118 LEU H 1 118 LEU HG . . 3.830 2.300 1.869 3.798 . 0 0 "[ . 1 . 2]" 1
2619 1 118 LEU H 1 119 GLN H . . 4.570 4.374 4.324 4.411 . 0 0 "[ . 1 . 2]" 1
2620 1 118 LEU H 1 119 GLN HA . . 5.500 5.499 5.404 5.545 0.045 20 0 "[ . 1 . 2]" 1
2621 1 118 LEU HA 1 118 LEU MD1 . . 4.010 3.571 2.256 3.917 . 0 0 "[ . 1 . 2]" 1
2622 1 118 LEU HA 1 118 LEU QD . . 3.060 2.130 2.000 2.295 . 0 0 "[ . 1 . 2]" 1
2623 1 118 LEU HA 1 118 LEU MD2 . . 4.010 2.461 2.006 3.891 . 0 0 "[ . 1 . 2]" 1
2624 1 118 LEU HA 1 119 GLN H . . 2.990 2.155 2.145 2.172 . 0 0 "[ . 1 . 2]" 1
2625 1 118 LEU HA 1 119 GLN HA . . 4.690 4.412 4.403 4.427 . 0 0 "[ . 1 . 2]" 1
2626 1 118 LEU HA 1 119 GLN HB2 . . 4.850 4.606 4.434 4.776 . 0 0 "[ . 1 . 2]" 1
2627 1 118 LEU HA 1 120 PHE H . . 4.250 3.990 3.881 4.117 . 0 0 "[ . 1 . 2]" 1
2628 1 118 LEU HB2 1 118 LEU MD1 . . 3.540 2.324 2.168 2.584 . 0 0 "[ . 1 . 2]" 1
2629 1 118 LEU HB2 1 118 LEU QD . . 3.050 2.199 2.114 2.301 . 0 0 "[ . 1 . 2]" 1
2630 1 118 LEU HB2 1 118 LEU MD2 . . 3.540 3.000 2.250 3.194 . 0 0 "[ . 1 . 2]" 1
2631 1 118 LEU HB3 1 118 LEU MD1 . . 3.570 2.529 2.252 3.172 . 0 0 "[ . 1 . 2]" 1
2632 1 118 LEU HB3 1 118 LEU MD2 . . 3.570 2.367 2.278 2.461 . 0 0 "[ . 1 . 2]" 1
2633 1 118 LEU HB3 1 119 GLN H . . 4.150 3.682 3.604 3.772 . 0 0 "[ . 1 . 2]" 1
2634 1 118 LEU HB3 1 120 PHE H . . 5.070 4.414 4.253 4.589 . 0 0 "[ . 1 . 2]" 1
2635 1 118 LEU QD 1 119 GLN H . . 4.190 3.835 3.677 4.052 . 0 0 "[ . 1 . 2]" 1
2636 1 118 LEU QD 1 120 PHE H . . 5.440 4.843 4.574 5.236 . 0 0 "[ . 1 . 2]" 1
2637 1 119 GLN H 1 119 GLN HB2 . . 3.290 2.468 2.303 2.634 . 0 0 "[ . 1 . 2]" 1
2638 1 119 GLN H 1 119 GLN HB3 . . 3.760 3.626 3.571 3.650 . 0 0 "[ . 1 . 2]" 1
2639 1 119 GLN H 1 119 GLN QG . . 3.660 2.475 2.113 2.838 . 0 0 "[ . 1 . 2]" 1
2640 1 119 GLN H 1 120 PHE H . . 3.330 2.414 2.301 2.503 . 0 0 "[ . 1 . 2]" 1
2641 1 119 GLN H 1 120 PHE HA . . 5.040 4.903 4.843 4.954 . 0 0 "[ . 1 . 2]" 1
2642 1 119 GLN H 1 120 PHE HB2 . . 5.500 5.451 5.306 5.520 0.020 16 0 "[ . 1 . 2]" 1
2643 1 119 GLN HA 1 119 GLN QE . . 5.340 4.537 3.993 4.855 . 0 0 "[ . 1 . 2]" 1
2644 1 119 GLN HA 1 119 GLN HG2 . . 3.880 2.676 2.359 3.162 . 0 0 "[ . 1 . 2]" 1
2645 1 119 GLN HA 1 119 GLN QG . . 3.350 2.577 2.278 3.022 . 0 0 "[ . 1 . 2]" 1
2646 1 119 GLN HA 1 119 GLN HG3 . . 3.880 3.378 2.966 3.864 . 0 0 "[ . 1 . 2]" 1
2647 1 119 GLN HA 1 120 PHE QD . . 5.190 4.374 4.238 4.504 . 0 0 "[ . 1 . 2]" 1
2648 1 119 GLN HA 1 120 PHE QE . . 4.970 4.554 4.439 4.676 . 0 0 "[ . 1 . 2]" 1
2649 1 119 GLN HA 1 120 PHE HZ . . 5.500 5.495 5.429 5.559 0.059 10 0 "[ . 1 . 2]" 1
2650 1 119 GLN HB2 1 120 PHE H . . 3.490 2.427 2.267 2.563 . 0 0 "[ . 1 . 2]" 1
2651 1 119 GLN HB2 1 120 PHE QD . . 4.370 3.452 3.242 3.611 . 0 0 "[ . 1 . 2]" 1
2652 1 119 GLN HB3 1 119 GLN HE21 . . 4.680 4.367 4.242 4.446 . 0 0 "[ . 1 . 2]" 1
2653 1 119 GLN HB3 1 119 GLN HE22 . . 4.680 4.591 4.413 4.668 . 0 0 "[ . 1 . 2]" 1
2654 1 119 GLN HB3 1 120 PHE H . . 3.780 3.479 3.274 3.677 . 0 0 "[ . 1 . 2]" 1
2655 1 119 GLN HB3 1 120 PHE QD . . 4.010 3.573 3.394 3.752 . 0 0 "[ . 1 . 2]" 1
2656 1 119 GLN HB3 1 120 PHE QE . . 4.170 3.178 3.070 3.321 . 0 0 "[ . 1 . 2]" 1
2657 1 119 GLN HB3 1 120 PHE HZ . . 4.570 3.350 3.228 3.537 . 0 0 "[ . 1 . 2]" 1
2658 1 119 GLN QE 1 119 GLN QG . . 2.880 2.191 2.072 2.226 . 0 0 "[ . 1 . 2]" 1
2659 1 119 GLN HE22 1 119 GLN HG2 . . 3.980 3.688 3.553 3.894 . 0 0 "[ . 1 . 2]" 1
2660 1 119 GLN HE22 1 119 GLN HG3 . . 3.980 3.552 3.442 3.676 . 0 0 "[ . 1 . 2]" 1
2661 1 119 GLN QG 1 120 PHE H . . 4.330 3.950 3.705 4.186 . 0 0 "[ . 1 . 2]" 1
2662 1 119 GLN QG 1 120 PHE QE . . 5.160 4.415 4.095 4.794 . 0 0 "[ . 1 . 2]" 1
2663 1 120 PHE H 1 120 PHE HB2 . . 3.510 3.084 3.036 3.121 . 0 0 "[ . 1 . 2]" 1
2664 1 120 PHE H 1 120 PHE HB3 . . 4.180 3.936 3.918 3.957 . 0 0 "[ . 1 . 2]" 1
2665 1 120 PHE H 1 120 PHE QD . . 4.090 3.424 3.335 3.514 . 0 0 "[ . 1 . 2]" 1
2666 1 120 PHE H 1 121 PRO HD3 . . 4.630 4.632 4.535 4.703 0.073 15 0 "[ . 1 . 2]" 1
2667 1 120 PHE HA 1 120 PHE QD . . 3.460 2.656 2.542 2.745 . 0 0 "[ . 1 . 2]" 1
2668 1 120 PHE HA 1 120 PHE QE . . 5.070 4.791 4.713 4.840 . 0 0 "[ . 1 . 2]" 1
2669 1 120 PHE HA 1 121 PRO HB3 . . 4.920 4.832 4.828 4.840 . 0 0 "[ . 1 . 2]" 1
2670 1 120 PHE HA 1 121 PRO HD2 . . 3.110 2.152 2.084 2.205 . 0 0 "[ . 1 . 2]" 1
2671 1 120 PHE HA 1 121 PRO HD3 . . 3.280 2.253 2.250 2.263 . 0 0 "[ . 1 . 2]" 1
2672 1 120 PHE HA 1 121 PRO HG2 . . 4.510 4.313 4.260 4.355 . 0 0 "[ . 1 . 2]" 1
2673 1 120 PHE HA 1 121 PRO HG3 . . 4.360 4.349 4.327 4.369 0.009 15 0 "[ . 1 . 2]" 1
2674 1 120 PHE HB2 1 121 PRO HA . . 5.500 5.066 5.042 5.106 . 0 0 "[ . 1 . 2]" 1
2675 1 120 PHE HB2 1 121 PRO HD2 . . 4.460 3.713 3.623 3.853 . 0 0 "[ . 1 . 2]" 1
2676 1 120 PHE HB2 1 121 PRO HD3 . . 5.130 4.719 4.663 4.801 . 0 0 "[ . 1 . 2]" 1
2677 1 120 PHE HB3 1 121 PRO HD2 . . 4.140 2.546 2.400 2.728 . 0 0 "[ . 1 . 2]" 1
2678 1 120 PHE HB3 1 121 PRO HD3 . . 4.510 3.886 3.769 4.036 . 0 0 "[ . 1 . 2]" 1
2679 1 120 PHE QD 1 121 PRO HD2 . . 4.150 3.845 3.680 3.963 . 0 0 "[ . 1 . 2]" 1
2680 1 120 PHE QD 1 121 PRO HD3 . . 4.620 4.451 4.307 4.547 . 0 0 "[ . 1 . 2]" 1
2681 1 121 PRO HA 1 122 PHE H . . 3.120 2.651 2.463 2.736 . 0 0 "[ . 1 . 2]" 1
2682 1 121 PRO HA 1 122 PHE HA . . 4.360 4.331 4.306 4.353 . 0 0 "[ . 1 . 2]" 1
2683 1 121 PRO HA 1 122 PHE HB2 . . 5.240 5.049 4.917 5.107 . 0 0 "[ . 1 . 2]" 1
2684 1 121 PRO HA 1 122 PHE HB3 . . 5.000 4.751 4.615 4.859 . 0 0 "[ . 1 . 2]" 1
2685 1 121 PRO HG2 1 123 LYS H . . 4.950 3.516 3.128 3.981 . 0 0 "[ . 1 . 2]" 1
2686 1 121 PRO HG2 1 124 GLU H . . 4.480 2.161 1.927 2.431 . 0 0 "[ . 1 . 2]" 1
2687 1 122 PHE H 1 122 PHE HB2 . . 3.630 3.002 2.936 3.088 . 0 0 "[ . 1 . 2]" 1
2688 1 122 PHE H 1 122 PHE HB3 . . 3.530 2.192 2.167 2.260 . 0 0 "[ . 1 . 2]" 1
2689 1 122 PHE H 1 123 LYS H . . 4.090 2.562 2.371 2.802 . 0 0 "[ . 1 . 2]" 1
2690 1 122 PHE H 1 124 GLU H . . 4.940 4.561 4.434 4.822 . 0 0 "[ . 1 . 2]" 1
2691 1 122 PHE HA 1 122 PHE QD . . 4.050 3.100 2.925 3.352 . 0 0 "[ . 1 . 2]" 1
2692 1 122 PHE HA 1 124 GLU H . . 5.500 5.487 5.230 5.591 0.091 1 0 "[ . 1 . 2]" 1
2693 1 122 PHE HB2 1 123 LYS H . . 4.330 4.053 3.937 4.192 . 0 0 "[ . 1 . 2]" 1
2694 1 122 PHE HB3 1 123 LYS H . . 4.540 2.778 2.590 2.985 . 0 0 "[ . 1 . 2]" 1
2695 1 122 PHE HB3 1 124 GLU H . . 5.500 5.525 5.465 5.596 0.096 19 0 "[ . 1 . 2]" 1
2696 1 122 PHE QD 1 123 LYS H . . 3.740 2.625 2.212 3.090 . 0 0 "[ . 1 . 2]" 1
2697 1 122 PHE QD 1 123 LYS HA . . 4.650 3.279 2.471 3.772 . 0 0 "[ . 1 . 2]" 1
2698 1 122 PHE QD 1 123 LYS QD . . 4.660 3.834 3.464 4.085 . 0 0 "[ . 1 . 2]" 1
2699 1 122 PHE QD 1 123 LYS QG . . 4.360 1.904 1.776 2.089 . 0 0 "[ . 1 . 2]" 1
2700 1 122 PHE QE 1 123 LYS HD2 . . 4.950 4.304 3.480 4.893 . 0 0 "[ . 1 . 2]" 1
2701 1 122 PHE QE 1 123 LYS QD . . 4.230 3.811 3.379 4.116 . 0 0 "[ . 1 . 2]" 1
2702 1 122 PHE QE 1 123 LYS HD3 . . 4.950 4.406 4.057 4.954 0.004 17 0 "[ . 1 . 2]" 1
2703 1 122 PHE QE 1 123 LYS QE . . 3.640 2.234 1.973 2.592 . 0 0 "[ . 1 . 2]" 1
2704 1 122 PHE HZ 1 123 LYS QE . . 4.240 4.220 4.087 4.275 0.035 5 0 "[ . 1 . 2]" 1
2705 1 123 LYS H 1 123 LYS HB2 . . 3.970 2.438 2.329 2.553 . 0 0 "[ . 1 . 2]" 1
2706 1 123 LYS H 1 123 LYS QB . . 3.100 2.401 2.300 2.506 . 0 0 "[ . 1 . 2]" 1
2707 1 123 LYS H 1 123 LYS HB3 . . 3.970 3.605 3.560 3.653 . 0 0 "[ . 1 . 2]" 1
2708 1 123 LYS H 1 123 LYS QD . . 4.730 4.271 4.121 4.510 . 0 0 "[ . 1 . 2]" 1
2709 1 123 LYS H 1 123 LYS HG2 . . 3.670 3.108 2.467 3.531 . 0 0 "[ . 1 . 2]" 1
2710 1 123 LYS H 1 123 LYS QG . . 3.160 2.517 2.316 2.830 . 0 0 "[ . 1 . 2]" 1
2711 1 123 LYS H 1 123 LYS HG3 . . 3.670 2.764 2.422 3.334 . 0 0 "[ . 1 . 2]" 1
2712 1 123 LYS H 1 124 GLU H . . 3.230 2.807 2.599 3.077 . 0 0 "[ . 1 . 2]" 1
2713 1 123 LYS H 1 124 GLU QG . . 5.500 5.281 4.886 5.550 0.050 16 0 "[ . 1 . 2]" 1
2714 1 123 LYS HA 1 123 LYS QD . . 4.520 3.685 2.724 4.064 . 0 0 "[ . 1 . 2]" 1
2715 1 123 LYS HA 1 123 LYS QE . . 4.340 3.730 1.985 4.366 0.026 5 0 "[ . 1 . 2]" 1
2716 1 123 LYS HA 1 123 LYS HG2 . . 3.590 2.407 2.268 2.565 . 0 0 "[ . 1 . 2]" 1
2717 1 123 LYS HA 1 123 LYS QG . . 3.060 2.364 2.231 2.522 . 0 0 "[ . 1 . 2]" 1
2718 1 123 LYS HA 1 123 LYS HG3 . . 3.590 3.456 3.310 3.722 0.132 20 0 "[ . 1 . 2]" 1
2719 1 123 LYS HB2 1 123 LYS QE . . 4.510 4.068 3.573 4.276 . 0 0 "[ . 1 . 2]" 1
2720 1 123 LYS HB2 1 124 GLU H . . 3.690 2.077 1.961 2.192 . 0 0 "[ . 1 . 2]" 1
2721 1 123 LYS HB3 1 123 LYS QE . . 4.510 3.452 2.289 3.916 . 0 0 "[ . 1 . 2]" 1
2722 1 123 LYS HB3 1 124 GLU H . . 3.690 3.022 2.781 3.180 . 0 0 "[ . 1 . 2]" 1
2723 1 123 LYS QE 1 123 LYS HG2 . . 3.440 2.160 2.059 2.361 . 0 0 "[ . 1 . 2]" 1
2724 1 123 LYS QE 1 123 LYS HG3 . . 3.440 2.902 2.567 3.360 . 0 0 "[ . 1 . 2]" 1
2725 1 123 LYS QG 1 124 GLU H . . 4.580 3.854 3.704 3.972 . 0 0 "[ . 1 . 2]" 1
2726 1 124 GLU H 1 124 GLU QB . . 3.230 3.206 2.917 3.309 0.079 18 0 "[ . 1 . 2]" 1
2727 1 124 GLU H 1 124 GLU QG . . 3.740 2.961 2.775 3.364 . 0 0 "[ . 1 . 2]" 1
2728 1 124 GLU H 1 125 PRO HD2 . . 5.070 4.773 4.716 4.786 . 0 0 "[ . 1 . 2]" 1
2729 1 124 GLU H 1 125 PRO QD . . 4.440 4.195 4.074 4.237 . 0 0 "[ . 1 . 2]" 1
2730 1 124 GLU H 1 125 PRO HD3 . . 5.070 4.651 4.455 4.727 . 0 0 "[ . 1 . 2]" 1
2731 1 124 GLU HA 1 125 PRO HD2 . . 3.020 2.352 2.207 2.426 . 0 0 "[ . 1 . 2]" 1
2732 1 124 GLU HA 1 125 PRO HD3 . . 3.020 2.283 2.251 2.309 . 0 0 "[ . 1 . 2]" 1
2733 1 124 GLU HA 1 125 PRO QG . . 4.210 3.972 3.887 4.018 . 0 0 "[ . 1 . 2]" 1
2734 1 124 GLU QB 1 125 PRO QD . . 3.450 2.044 1.945 2.332 . 0 0 "[ . 1 . 2]" 1
2735 1 124 GLU QG 1 125 PRO QD . . 3.680 3.392 3.044 3.709 0.029 4 0 "[ . 1 . 2]" 1
2736 1 125 PRO HA 1 126 GLU H . . 2.800 2.360 2.155 2.678 . 0 0 "[ . 1 . 2]" 1
2737 1 125 PRO HA 1 126 GLU QB . . 4.720 4.040 3.842 4.661 . 0 0 "[ . 1 . 2]" 1
2738 1 125 PRO QB 1 126 GLU H . . 3.710 2.742 1.972 3.566 . 0 0 "[ . 1 . 2]" 1
2739 1 125 PRO QD 1 126 GLU H . . 4.960 4.915 4.757 5.008 0.048 18 0 "[ . 1 . 2]" 1
2740 1 125 PRO QG 1 126 GLU H . . 4.800 4.268 3.682 4.744 . 0 0 "[ . 1 . 2]" 1
2741 1 126 GLU H 1 126 GLU HB2 . . 3.730 3.121 2.475 3.741 0.011 1 0 "[ . 1 . 2]" 1
2742 1 126 GLU H 1 126 GLU QB . . 2.880 2.659 2.296 2.892 0.012 7 0 "[ . 1 . 2]" 1
2743 1 126 GLU H 1 126 GLU HB3 . . 3.730 2.994 2.511 3.825 0.095 15 0 "[ . 1 . 2]" 1
2744 1 126 GLU H 1 126 GLU QG . . 4.380 3.942 2.458 4.382 0.002 3 0 "[ . 1 . 2]" 1
2745 1 126 GLU H 1 127 LYS H . . 4.730 4.152 2.199 4.577 . 0 0 "[ . 1 . 2]" 1
2746 1 126 GLU HA 1 126 GLU QG . . 3.460 2.627 2.150 3.458 . 0 0 "[ . 1 . 2]" 1
2747 1 126 GLU HA 1 127 LYS H . . 3.020 2.319 2.140 3.086 0.066 15 0 "[ . 1 . 2]" 1
2748 1 126 GLU QG 1 127 LYS H . . 4.150 2.807 1.940 4.215 0.065 15 0 "[ . 1 . 2]" 1
2749 1 127 LYS H 1 127 LYS QB . . 3.600 2.761 2.160 3.230 . 0 0 "[ . 1 . 2]" 1
2750 1 127 LYS H 1 127 LYS QD . . 4.190 3.447 1.903 4.185 . 0 0 "[ . 1 . 2]" 1
2751 1 127 LYS H 1 127 LYS HG2 . . 4.780 2.894 1.892 4.679 . 0 0 "[ . 1 . 2]" 1
2752 1 127 LYS H 1 127 LYS QG . . 4.010 2.600 1.878 3.820 . 0 0 "[ . 1 . 2]" 1
2753 1 127 LYS H 1 127 LYS HG3 . . 4.780 3.572 2.199 4.514 . 0 0 "[ . 1 . 2]" 1
2754 1 127 LYS HA 1 127 LYS QE . . 5.500 4.687 3.911 5.504 0.004 10 0 "[ . 1 . 2]" 1
2755 1 128 ARG HA 1 128 ARG QD . . 4.700 3.291 2.012 4.435 . 0 0 "[ . 1 . 2]" 1
2756 1 128 ARG HA 1 128 ARG QG . . 3.760 2.479 2.132 3.334 . 0 0 "[ . 1 . 2]" 1
2757 1 129 THR H 1 130 ILE HB . . 5.130 4.690 4.047 5.180 0.050 16 0 "[ . 1 . 2]" 1
2758 1 129 THR MG 1 130 ILE H . . 4.910 3.647 2.060 4.358 . 0 0 "[ . 1 . 2]" 1
2759 2 2 GLU HA 2 2 GLU QG . . 3.600 2.662 2.212 3.487 . 0 0 "[ . 1 . 2]" 1
2760 2 3 ASP H 2 4 ASP H . . 4.820 4.376 3.907 4.637 . 0 0 "[ . 1 . 2]" 1
2761 2 3 ASP HA 2 4 ASP H . . 3.090 2.238 2.139 2.490 . 0 0 "[ . 1 . 2]" 1
2762 2 4 ASP H 2 4 ASP QB . . 3.210 2.701 2.179 3.175 . 0 0 "[ . 1 . 2]" 1
2763 2 4 ASP H 2 5 GLY H . . 4.360 3.601 2.239 4.330 . 0 0 "[ . 1 . 2]" 1
2764 2 4 ASP QB 2 5 GLY H . . 3.770 3.158 2.212 3.766 . 0 0 "[ . 1 . 2]" 1
2765 2 4 ASP QB 2 5 GLY HA2 . . 5.450 4.377 3.959 5.107 . 0 0 "[ . 1 . 2]" 1
2766 2 4 ASP QB 2 5 GLY QA . . 4.620 3.981 3.577 4.484 . 0 0 "[ . 1 . 2]" 1
2767 2 4 ASP QB 2 5 GLY HA3 . . 5.450 4.688 3.802 5.255 . 0 0 "[ . 1 . 2]" 1
2768 2 4 ASP QB 2 6 ASP H . . 5.180 4.413 3.327 5.104 . 0 0 "[ . 1 . 2]" 1
2769 2 5 GLY H 2 6 ASP H . . 4.020 3.247 2.342 3.972 . 0 0 "[ . 1 . 2]" 1
2770 2 5 GLY QA 2 6 ASP H . . 3.060 2.408 2.109 2.654 . 0 0 "[ . 1 . 2]" 1
2771 2 5 GLY QA 2 6 ASP QB . . 4.290 4.172 3.741 4.299 0.009 1 0 "[ . 1 . 2]" 1
2772 2 6 ASP H 2 6 ASP HB2 . . 3.570 2.476 2.208 2.876 . 0 0 "[ . 1 . 2]" 1
2773 2 6 ASP H 2 6 ASP QB . . 3.060 2.351 2.186 2.575 . 0 0 "[ . 1 . 2]" 1
2774 2 6 ASP H 2 6 ASP HB3 . . 3.570 3.187 2.719 3.615 0.045 18 0 "[ . 1 . 2]" 1
2775 2 6 ASP H 2 7 PTR H . . 3.870 2.362 1.967 4.354 0.484 18 0 "[ . 1 . 2]" 1
2776 2 6 ASP H 2 7 PTR HB2 . . 4.980 4.445 4.056 4.976 . 0 0 "[ . 1 . 2]" 1
2777 2 6 ASP QB 2 7 PTR H . . 3.560 2.642 1.870 3.047 . 0 0 "[ . 1 . 2]" 1
2778 2 6 ASP HB2 2 7 PTR H . . 4.100 3.300 2.697 3.904 . 0 0 "[ . 1 . 2]" 1
2779 2 6 ASP HB3 2 7 PTR H . . 4.100 3.016 1.879 3.628 . 0 0 "[ . 1 . 2]" 1
2780 2 7 PTR H 2 7 PTR HB2 . . 3.610 2.474 2.328 3.546 . 0 0 "[ . 1 . 2]" 1
2781 2 7 PTR H 2 7 PTR HB3 . . 3.870 3.644 3.574 4.001 0.131 18 0 "[ . 1 . 2]" 1
2782 2 7 PTR H 2 8 GLU H . . 4.810 4.517 4.453 4.619 . 0 0 "[ . 1 . 2]" 1
2783 2 7 PTR HB2 2 8 GLU H . . 4.100 3.359 3.018 3.670 . 0 0 "[ . 1 . 2]" 1
2784 2 7 PTR HB3 2 8 GLU H . . 4.020 2.100 1.923 2.418 . 0 0 "[ . 1 . 2]" 1
2785 2 8 GLU H 2 8 GLU HB2 . . 3.740 2.609 2.396 3.612 . 0 0 "[ . 1 . 2]" 1
2786 2 8 GLU H 2 8 GLU HB3 . . 3.740 3.492 2.593 3.600 . 0 0 "[ . 1 . 2]" 1
2787 2 8 GLU H 2 8 GLU QG . . 3.780 2.243 1.945 2.497 . 0 0 "[ . 1 . 2]" 1
2788 2 8 GLU H 2 9 SER H . . 4.770 4.616 4.541 4.649 . 0 0 "[ . 1 . 2]" 1
2789 2 8 GLU HA 2 9 SER H . . 2.970 2.296 2.168 2.585 . 0 0 "[ . 1 . 2]" 1
2790 2 8 GLU HA 2 9 SER HA . . 4.880 4.398 4.358 4.508 . 0 0 "[ . 1 . 2]" 1
2791 2 8 GLU QB 2 9 SER H . . 3.660 2.689 2.035 3.071 . 0 0 "[ . 1 . 2]" 1
2792 2 8 GLU HB2 2 9 SER H . . 4.200 3.751 2.413 4.195 . 0 0 "[ . 1 . 2]" 1
2793 2 8 GLU HB3 2 9 SER H . . 4.200 2.869 2.054 3.690 . 0 0 "[ . 1 . 2]" 1
2794 2 8 GLU QG 2 9 SER H . . 4.550 4.305 3.893 4.561 0.011 4 0 "[ . 1 . 2]" 1
2795 2 9 SER H 2 9 SER HB2 . . 3.790 2.892 2.321 3.760 . 0 0 "[ . 1 . 2]" 1
2796 2 9 SER H 2 9 SER QB . . 3.130 2.547 2.294 2.863 . 0 0 "[ . 1 . 2]" 1
2797 2 9 SER H 2 9 SER HB3 . . 3.790 3.245 2.601 3.689 . 0 0 "[ . 1 . 2]" 1
2798 2 9 SER HA 2 10 PRO HA . . 4.490 4.411 4.396 4.431 . 0 0 "[ . 1 . 2]" 1
2799 2 9 SER HA 2 10 PRO QD . . 3.520 1.972 1.916 2.034 . 0 0 "[ . 1 . 2]" 1
2800 2 9 SER HA 2 10 PRO QG . . 3.920 3.874 3.816 3.940 0.020 17 0 "[ . 1 . 2]" 1
2801 2 10 PRO HA 2 11 ASN H . . 2.930 2.327 2.187 2.497 . 0 0 "[ . 1 . 2]" 1
2802 2 10 PRO HA 2 11 ASN HA . . 4.960 4.326 4.306 4.354 . 0 0 "[ . 1 . 2]" 1
2803 2 10 PRO HA 2 11 ASN HB2 . . 5.490 4.470 4.338 4.713 . 0 0 "[ . 1 . 2]" 1
2804 2 10 PRO QB 2 11 ASN H . . 3.270 2.727 2.334 3.120 . 0 0 "[ . 1 . 2]" 1
2805 2 10 PRO QG 2 11 ASN H . . 4.560 4.299 4.002 4.562 0.002 4 0 "[ . 1 . 2]" 1
2806 2 10 PRO QG 2 11 ASN HA . . 5.360 5.257 4.992 5.403 0.043 10 0 "[ . 1 . 2]" 1
2807 2 11 ASN H 2 11 ASN HB2 . . 3.360 2.194 2.175 2.236 . 0 0 "[ . 1 . 2]" 1
2808 2 11 ASN H 2 11 ASN HB3 . . 3.550 3.497 3.477 3.527 . 0 0 "[ . 1 . 2]" 1
2809 2 11 ASN H 2 11 ASN HD21 . . 4.590 3.087 2.253 3.706 . 0 0 "[ . 1 . 2]" 1
2810 2 11 ASN H 2 11 ASN HD22 . . 4.950 4.289 3.837 4.658 . 0 0 "[ . 1 . 2]" 1
2811 2 11 ASN H 2 12 GLU H . . 5.310 4.481 4.377 4.617 . 0 0 "[ . 1 . 2]" 1
2812 2 11 ASN HA 2 11 ASN HD21 . . 4.280 3.875 2.194 4.300 0.020 6 0 "[ . 1 . 2]" 1
2813 2 11 ASN HA 2 11 ASN HD22 . . 4.580 4.207 3.371 4.474 . 0 0 "[ . 1 . 2]" 1
2814 2 11 ASN HA 2 12 GLU H . . 3.070 2.158 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
2815 2 11 ASN HA 2 12 GLU QB . . 4.690 4.215 4.019 4.535 . 0 0 "[ . 1 . 2]" 1
2816 2 11 ASN HB2 2 11 ASN HD21 . . 3.350 2.194 2.114 2.876 . 0 0 "[ . 1 . 2]" 1
2817 2 11 ASN HB2 2 11 ASN HD22 . . 3.730 3.466 3.433 3.758 0.028 1 0 "[ . 1 . 2]" 1
2818 2 11 ASN HB2 2 12 GLU H . . 4.530 4.444 4.197 4.549 0.019 11 0 "[ . 1 . 2]" 1
2819 2 11 ASN HB2 2 14 GLU QB . . 3.800 3.342 2.665 3.795 . 0 0 "[ . 1 . 2]" 1
2820 2 11 ASN HB3 2 11 ASN HD21 . . 3.470 3.267 2.994 3.511 0.041 19 0 "[ . 1 . 2]" 1
2821 2 11 ASN HB3 2 11 ASN HD22 . . 4.000 3.951 3.814 4.076 0.076 19 0 "[ . 1 . 2]" 1
2822 2 11 ASN HB3 2 12 GLU H . . 3.930 3.503 3.003 3.756 . 0 0 "[ . 1 . 2]" 1
2823 2 11 ASN HB3 2 14 GLU QB . . 4.010 2.591 1.981 3.899 . 0 0 "[ . 1 . 2]" 1
2824 2 12 GLU H 2 12 GLU HB2 . . 3.830 2.655 2.288 3.613 . 0 0 "[ . 1 . 2]" 1
2825 2 12 GLU H 2 12 GLU HB3 . . 3.830 2.968 2.405 3.669 . 0 0 "[ . 1 . 2]" 1
2826 2 12 GLU H 2 12 GLU QG . . 4.120 3.381 1.850 4.138 0.018 4 0 "[ . 1 . 2]" 1
2827 2 12 GLU H 2 13 GLU H . . 3.950 2.394 2.175 3.125 . 0 0 "[ . 1 . 2]" 1
2828 2 12 GLU H 2 13 GLU QG . . 4.610 3.850 3.391 4.515 . 0 0 "[ . 1 . 2]" 1
2829 2 12 GLU QB 2 13 GLU H . . 3.020 2.569 2.084 3.109 0.089 11 0 "[ . 1 . 2]" 1
2830 2 13 GLU H 2 13 GLU HA . . 2.850 2.767 2.680 2.875 0.025 17 0 "[ . 1 . 2]" 1
2831 2 13 GLU H 2 13 GLU QB . . 2.810 2.502 2.370 2.651 . 0 0 "[ . 1 . 2]" 1
2832 2 13 GLU H 2 13 GLU QG . . 3.290 2.260 1.933 2.951 . 0 0 "[ . 1 . 2]" 1
2833 2 13 GLU H 2 14 GLU H . . 4.040 2.825 2.431 3.024 . 0 0 "[ . 1 . 2]" 1
2834 2 13 GLU HA 2 13 GLU QG . . 3.470 3.004 2.262 3.457 . 0 0 "[ . 1 . 2]" 1
2835 2 13 GLU QB 2 14 GLU H . . 4.080 2.855 1.995 3.640 . 0 0 "[ . 1 . 2]" 1
2836 2 13 GLU QG 2 14 GLU H . . 4.730 3.147 1.839 4.264 . 0 0 "[ . 1 . 2]" 1
2837 2 14 GLU H 2 14 GLU QB . . 3.230 2.315 2.155 2.808 . 0 0 "[ . 1 . 2]" 1
2838 2 14 GLU H 2 14 GLU QG . . 4.060 3.670 1.961 4.080 0.020 14 0 "[ . 1 . 2]" 1
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