NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582769 |
2mji   |
19727 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mji
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 1507
_Distance_constraint_stats_list.Viol_count 2430
_Distance_constraint_stats_list.Viol_total 1087.823
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.155 0.027 7 0 "[ . 1]"
1 2 PHE 0.711 0.061 7 0 "[ . 1]"
1 3 ASP 0.071 0.027 7 0 "[ . 1]"
1 4 SER 0.817 0.061 4 0 "[ . 1]"
1 5 THR 0.917 0.087 10 0 "[ . 1]"
1 6 TRP 7.637 0.192 3 0 "[ . 1]"
1 7 LYS 4.272 0.192 3 0 "[ . 1]"
1 8 VAL 2.744 0.152 5 0 "[ . 1]"
1 9 ASP 0.100 0.029 6 0 "[ . 1]"
1 10 ARG 1.409 0.162 2 0 "[ . 1]"
1 11 SER 1.185 0.128 3 0 "[ . 1]"
1 12 GLU 0.182 0.051 9 0 "[ . 1]"
1 13 ASN 1.957 0.173 9 0 "[ . 1]"
1 14 TYR 3.779 0.974 1 2 "[+ -. 1]"
1 15 ASP 0.592 0.062 7 0 "[ . 1]"
1 16 LYS 5.139 0.143 4 0 "[ . 1]"
1 17 PHE 4.717 0.162 10 0 "[ . 1]"
1 18 MET 2.012 0.157 1 0 "[ . 1]"
1 19 GLU 2.680 0.295 9 0 "[ . 1]"
1 20 LYS 3.127 0.191 10 0 "[ . 1]"
1 21 MET 0.101 0.053 4 0 "[ . 1]"
1 22 GLY 0.000 0.000 . 0 "[ . 1]"
1 23 VAL 0.757 0.123 9 0 "[ . 1]"
1 24 ASN 1.471 0.174 4 0 "[ . 1]"
1 25 ILE 1.529 0.166 3 0 "[ . 1]"
1 26 VAL 0.723 0.060 7 0 "[ . 1]"
1 27 LYS 0.191 0.046 6 0 "[ . 1]"
1 28 ARG 4.128 0.171 7 0 "[ . 1]"
1 29 LYS 1.487 0.089 3 0 "[ . 1]"
1 30 LEU 0.671 0.073 2 0 "[ . 1]"
1 31 ALA 0.109 0.030 7 0 "[ . 1]"
1 32 ALA 0.946 0.089 3 0 "[ . 1]"
1 33 HIS 1.237 0.075 3 0 "[ . 1]"
1 34 ASP 0.824 0.099 3 0 "[ . 1]"
1 35 ASN 1.855 0.118 9 0 "[ . 1]"
1 36 LEU 0.001 0.001 9 0 "[ . 1]"
1 37 LYS 2.959 0.113 8 0 "[ . 1]"
1 38 LEU 3.829 0.113 7 0 "[ . 1]"
1 39 THR 0.161 0.030 1 0 "[ . 1]"
1 40 ILE 1.128 0.061 4 0 "[ . 1]"
1 41 THR 0.008 0.007 6 0 "[ . 1]"
1 42 GLN 0.000 0.000 . 0 "[ . 1]"
1 43 GLU 1.003 0.181 6 0 "[ . 1]"
1 44 GLY 2.195 0.181 6 0 "[ . 1]"
1 45 ASN 1.713 0.110 6 0 "[ . 1]"
1 46 LYS 3.623 0.199 2 0 "[ . 1]"
1 47 PHE 1.522 0.138 6 0 "[ . 1]"
1 48 THR 0.653 0.108 4 0 "[ . 1]"
1 49 VAL 0.380 0.070 5 0 "[ . 1]"
1 50 LYS 0.105 0.032 1 0 "[ . 1]"
1 51 GLU 0.090 0.026 5 0 "[ . 1]"
1 52 SER 0.047 0.018 10 0 "[ . 1]"
1 54 ALA 0.069 0.016 9 0 "[ . 1]"
1 55 PHE 0.016 0.016 9 0 "[ . 1]"
1 57 ASN 0.000 0.000 . 0 "[ . 1]"
1 58 ILE 1.032 0.073 2 0 "[ . 1]"
1 59 GLU 0.909 0.070 5 0 "[ . 1]"
1 60 VAL 3.148 0.429 6 0 "[ . 1]"
1 61 VAL 1.464 0.145 4 0 "[ . 1]"
1 62 PHE 4.354 0.429 6 0 "[ . 1]"
1 63 GLU 2.611 0.199 2 0 "[ . 1]"
1 64 LEU 2.296 0.104 8 0 "[ . 1]"
1 65 GLY 2.229 0.241 10 0 "[ . 1]"
1 66 VAL 1.942 0.241 10 0 "[ . 1]"
1 67 THR 1.154 0.102 10 0 "[ . 1]"
1 68 PHE 2.923 0.242 9 0 "[ . 1]"
1 69 ASN 0.583 0.104 8 0 "[ . 1]"
1 70 TYR 0.000 0.000 . 0 "[ . 1]"
1 75 GLY 0.982 0.244 5 0 "[ . 1]"
1 76 THR 2.468 0.244 5 0 "[ . 1]"
1 77 GLU 0.310 0.140 3 0 "[ . 1]"
1 78 LEU 5.454 0.206 3 0 "[ . 1]"
1 79 ARG 1.017 0.106 1 0 "[ . 1]"
1 80 GLY 0.564 0.061 5 0 "[ . 1]"
1 81 THR 1.409 0.113 7 0 "[ . 1]"
1 82 TRP 1.496 0.157 7 0 "[ . 1]"
1 83 SER 0.479 0.044 8 0 "[ . 1]"
1 84 LEU 0.653 0.056 10 0 "[ . 1]"
1 85 GLU 0.789 0.056 10 0 "[ . 1]"
1 86 GLY 0.490 0.042 10 0 "[ . 1]"
1 87 ASN 0.490 0.042 10 0 "[ . 1]"
1 88 LYS 0.031 0.012 4 0 "[ . 1]"
1 89 LEU 0.317 0.040 6 0 "[ . 1]"
1 90 ILE 1.743 0.134 6 0 "[ . 1]"
1 91 GLY 1.266 0.157 7 0 "[ . 1]"
1 92 LYS 0.722 0.081 10 0 "[ . 1]"
1 93 PHE 2.620 0.206 3 0 "[ . 1]"
1 94 LYS 5.515 0.231 6 0 "[ . 1]"
1 95 ARG 2.087 0.112 4 0 "[ . 1]"
1 96 THR 1.419 0.067 6 0 "[ . 1]"
1 97 ASP 0.124 0.030 6 0 "[ . 1]"
1 98 ASN 0.025 0.025 6 0 "[ . 1]"
1 99 GLY 1.080 0.092 5 0 "[ . 1]"
1 100 ASN 0.723 0.231 6 0 "[ . 1]"
1 101 GLU 1.878 0.170 6 0 "[ . 1]"
1 102 LEU 4.087 0.205 3 0 "[ . 1]"
1 103 ASN 1.280 0.083 7 0 "[ . 1]"
1 104 THR 1.351 0.134 6 0 "[ . 1]"
1 105 VAL 0.160 0.031 2 0 "[ . 1]"
1 106 ARG 0.000 0.000 . 0 "[ . 1]"
1 107 GLU 0.229 0.044 7 0 "[ . 1]"
1 108 ILE 2.207 0.080 4 0 "[ . 1]"
1 109 ILE 4.226 0.246 1 0 "[ . 1]"
1 110 GLY 3.509 0.246 1 0 "[ . 1]"
1 111 ASP 1.683 0.154 10 0 "[ . 1]"
1 112 GLU 1.695 0.105 7 0 "[ . 1]"
1 113 LEU 1.366 0.072 3 0 "[ . 1]"
1 114 VAL 1.634 0.076 9 0 "[ . 1]"
1 115 GLN 0.548 0.076 5 0 "[ . 1]"
1 116 THR 1.260 0.113 8 0 "[ . 1]"
1 117 TYR 1.998 0.095 3 0 "[ . 1]"
1 118 VAL 4.422 0.161 9 0 "[ . 1]"
1 119 TYR 1.402 0.173 5 0 "[ . 1]"
1 120 GLU 1.321 0.117 3 0 "[ . 1]"
1 121 GLY 1.944 0.164 9 0 "[ . 1]"
1 122 VAL 1.707 0.162 10 0 "[ . 1]"
1 123 GLU 2.165 0.107 9 0 "[ . 1]"
1 124 ALA 4.530 0.974 1 2 "[+ -. 1]"
1 125 LYS 0.707 0.113 8 0 "[ . 1]"
1 126 ARG 1.118 0.093 5 0 "[ . 1]"
1 127 ILE 2.056 0.162 2 0 "[ . 1]"
1 128 PHE 4.024 0.151 8 0 "[ . 1]"
1 129 LYS 1.721 0.210 6 0 "[ . 1]"
1 130 LYS 2.043 0.210 6 0 "[ . 1]"
1 131 ASP 0.846 0.046 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 2 PHE H 5.040 . 5.040 3.684 3.595 3.718 . 0 0 "[ . 1]" 1
2 1 1 ALA MB 1 3 ASP H 5.070 . 5.070 4.998 4.809 5.097 0.027 7 0 "[ . 1]" 1
3 1 1 ALA MB 1 108 ILE MD 4.790 . 4.790 4.722 4.544 4.802 0.012 7 0 "[ . 1]" 1
4 1 1 ALA MB 1 108 ILE MG 5.160 . 5.160 4.909 4.459 5.169 0.009 5 0 "[ . 1]" 1
5 1 1 ALA MB 1 130 LYS HD2 5.500 . 5.500 5.488 5.315 5.516 0.016 6 0 "[ . 1]" 1
6 1 2 PHE H 1 2 PHE QB 3.840 . 3.840 2.150 2.101 2.181 . 0 0 "[ . 1]" 1
7 1 2 PHE HA 1 2 PHE QE 4.710 . 4.710 4.211 4.059 4.394 . 0 0 "[ . 1]" 1
8 1 2 PHE HA 1 2 PHE HD1 4.750 . 4.750 2.326 1.875 2.826 . 0 0 "[ . 1]" 1
9 1 2 PHE HA 1 2 PHE QD 4.010 . 4.010 2.307 1.873 2.762 . 0 0 "[ . 1]" 1
10 1 2 PHE QB 1 3 ASP H 3.500 . 3.500 2.533 2.428 2.615 . 0 0 "[ . 1]" 1
11 1 2 PHE H 1 3 ASP H 4.220 . 4.220 2.484 2.358 2.697 . 0 0 "[ . 1]" 1
12 1 2 PHE HA 1 6 TRP HE1 4.980 . 4.980 3.632 3.407 3.771 . 0 0 "[ . 1]" 1
13 1 2 PHE HA 1 6 TRP HH2 5.000 . 5.000 3.662 3.359 3.858 . 0 0 "[ . 1]" 1
14 1 2 PHE HA 1 6 TRP HZ2 3.790 . 3.790 1.971 1.843 2.194 . 0 0 "[ . 1]" 1
15 1 2 PHE QB 1 40 ILE QG 4.410 . 4.410 4.130 3.428 4.425 0.015 7 0 "[ . 1]" 1
16 1 2 PHE HE1 1 40 ILE MD 5.050 . 5.050 3.937 3.382 5.075 0.025 8 0 "[ . 1]" 1
17 1 2 PHE QB 1 40 ILE MG 3.990 . 3.990 2.104 1.935 2.339 . 0 0 "[ . 1]" 1
18 1 2 PHE HA 1 40 ILE MG 5.000 . 5.000 3.817 3.628 3.966 . 0 0 "[ . 1]" 1
19 1 2 PHE QB 1 40 ILE MD 4.490 . 4.490 3.282 2.283 4.494 0.004 8 0 "[ . 1]" 1
20 1 2 PHE HE1 1 40 ILE QG 5.460 . 5.460 5.357 4.781 5.490 0.030 7 0 "[ . 1]" 1
21 1 2 PHE HA 1 108 ILE MD 4.230 . 4.230 4.258 4.237 4.282 0.052 2 0 "[ . 1]" 1
22 1 2 PHE QD 1 108 ILE MD 4.540 . 4.540 3.640 2.739 3.865 . 0 0 "[ . 1]" 1
23 1 2 PHE HE1 1 108 ILE MG 5.500 . 5.500 5.376 4.509 5.523 0.023 10 0 "[ . 1]" 1
24 1 2 PHE HE2 1 108 ILE MD 5.020 . 5.020 4.059 3.525 5.081 0.061 7 0 "[ . 1]" 1
25 1 2 PHE QB 1 108 ILE MD 5.360 . 5.360 4.908 4.398 5.252 . 0 0 "[ . 1]" 1
26 1 2 PHE HE1 1 108 ILE MD 5.400 . 5.400 2.654 2.144 2.977 . 0 0 "[ . 1]" 1
27 1 2 PHE HE1 1 113 LEU MD1 5.150 . 5.150 2.508 2.095 3.620 . 0 0 "[ . 1]" 1
28 1 2 PHE HE1 1 113 LEU HG 4.780 . 4.780 4.111 3.214 4.810 0.030 6 0 "[ . 1]" 1
29 1 2 PHE QE 1 113 LEU MD1 4.050 . 4.050 2.502 2.093 3.592 . 0 0 "[ . 1]" 1
30 1 3 ASP H 1 3 ASP HB2 3.180 . 3.180 2.487 2.056 2.769 . 0 0 "[ . 1]" 1
31 1 3 ASP HA 1 4 SER H 3.130 . 3.130 2.169 2.154 2.191 . 0 0 "[ . 1]" 1
32 1 3 ASP HA 1 40 ILE HB 4.390 . 4.390 2.290 1.966 2.722 . 0 0 "[ . 1]" 1
33 1 3 ASP HA 1 40 ILE H 4.530 . 4.530 4.299 3.957 4.539 0.009 10 0 "[ . 1]" 1
34 1 3 ASP HA 1 40 ILE MG 4.310 . 4.310 2.331 1.967 2.764 . 0 0 "[ . 1]" 1
35 1 3 ASP HA 1 41 THR MG 5.150 . 5.150 4.928 4.699 5.151 0.001 4 0 "[ . 1]" 1
36 1 4 SER H 1 4 SER HB2 4.160 . 4.160 3.223 3.191 3.270 . 0 0 "[ . 1]" 1
37 1 4 SER HA 1 5 THR HB 5.270 . 5.270 4.964 4.907 5.084 . 0 0 "[ . 1]" 1
38 1 4 SER HB3 1 5 THR H 3.730 . 3.730 2.490 2.272 2.609 . 0 0 "[ . 1]" 1
39 1 4 SER HB2 1 5 THR H 4.060 . 4.060 3.740 3.658 3.787 . 0 0 "[ . 1]" 1
40 1 4 SER HA 1 5 THR H 3.150 . 3.150 2.611 2.564 2.681 . 0 0 "[ . 1]" 1
41 1 4 SER HB2 1 6 TRP HE1 4.290 . 4.290 2.722 2.672 2.815 . 0 0 "[ . 1]" 1
42 1 4 SER HA 1 6 TRP HD1 5.470 . 5.470 4.554 4.501 4.629 . 0 0 "[ . 1]" 1
43 1 4 SER H 1 6 TRP HE1 4.640 . 4.640 3.750 3.380 4.050 . 0 0 "[ . 1]" 1
44 1 4 SER HB2 1 6 TRP HZ2 4.800 . 4.800 4.836 4.818 4.848 0.048 4 0 "[ . 1]" 1
45 1 4 SER HB3 1 6 TRP HE1 4.820 . 4.820 2.403 2.164 2.643 . 0 0 "[ . 1]" 1
46 1 4 SER H 1 40 ILE H 5.050 . 5.050 2.811 2.513 3.043 . 0 0 "[ . 1]" 1
47 1 4 SER H 1 40 ILE MG 5.010 . 5.010 3.426 3.245 3.674 . 0 0 "[ . 1]" 1
48 1 4 SER H 1 40 ILE HB 4.300 . 4.300 2.021 1.870 2.158 . 0 0 "[ . 1]" 1
49 1 4 SER HB3 1 40 ILE HB 4.750 . 4.750 4.796 4.780 4.811 0.061 4 0 "[ . 1]" 1
50 1 4 SER H 1 41 THR HA 5.270 . 5.270 4.020 3.532 4.248 . 0 0 "[ . 1]" 1
51 1 5 THR H 1 5 THR HB 3.410 . 3.410 2.475 2.451 2.531 . 0 0 "[ . 1]" 1
52 1 5 THR HA 1 5 THR MG 3.480 . 3.480 2.443 2.318 2.496 . 0 0 "[ . 1]" 1
53 1 5 THR H 1 5 THR MG 4.700 . 4.700 3.777 3.771 3.791 . 0 0 "[ . 1]" 1
54 1 5 THR HA 1 6 TRP HD1 4.300 . 4.300 3.271 3.057 3.394 . 0 0 "[ . 1]" 1
55 1 5 THR MG 1 6 TRP HA 4.570 . 4.570 3.829 3.768 3.971 . 0 0 "[ . 1]" 1
56 1 5 THR HA 1 6 TRP H 3.150 . 3.150 2.175 2.164 2.189 . 0 0 "[ . 1]" 1
57 1 5 THR HB 1 6 TRP H 4.830 . 4.830 4.297 4.221 4.342 . 0 0 "[ . 1]" 1
58 1 5 THR MG 1 6 TRP H 3.690 . 3.690 2.721 2.613 2.820 . 0 0 "[ . 1]" 1
59 1 5 THR MG 1 6 TRP HD1 4.280 . 4.280 4.331 4.297 4.367 0.087 10 0 "[ . 1]" 1
60 1 5 THR HB 1 37 LYS QD 4.790 . 4.790 4.765 4.564 4.820 0.030 10 0 "[ . 1]" 1
61 1 5 THR MG 1 37 LYS QE 4.120 . 4.120 2.188 1.789 3.270 0.011 7 0 "[ . 1]" 1
62 1 5 THR MG 1 37 LYS QG 4.530 . 4.530 3.435 3.190 3.579 . 0 0 "[ . 1]" 1
63 1 5 THR MG 1 37 LYS QD 3.480 . 3.480 2.159 1.945 2.277 . 0 0 "[ . 1]" 1
64 1 5 THR HA 1 39 THR HA 3.320 . 3.320 2.813 2.593 2.972 . 0 0 "[ . 1]" 1
65 1 5 THR HA 1 40 ILE H 4.090 . 4.090 3.491 3.114 3.757 . 0 0 "[ . 1]" 1
66 1 5 THR HB 1 131 ASP H 4.330 . 4.330 4.329 4.233 4.346 0.016 2 0 "[ . 1]" 1
67 1 5 THR MG 1 131 ASP HB3 3.440 . 3.440 3.419 3.275 3.457 0.017 10 0 "[ . 1]" 1
68 1 5 THR HB 1 131 ASP HB3 3.800 . 3.800 3.815 3.809 3.823 0.023 6 0 "[ . 1]" 1
69 1 5 THR MG 1 131 ASP HB2 3.970 . 3.970 2.939 2.857 3.024 . 0 0 "[ . 1]" 1
70 1 5 THR HB 1 131 ASP HB2 4.490 . 4.490 3.977 3.839 4.061 . 0 0 "[ . 1]" 1
71 1 6 TRP H 1 6 TRP HB3 3.930 . 3.930 3.690 3.665 3.714 . 0 0 "[ . 1]" 1
72 1 6 TRP H 1 6 TRP HD1 4.450 . 4.450 2.833 2.692 2.937 . 0 0 "[ . 1]" 1
73 1 6 TRP HB3 1 6 TRP HD1 3.810 . 3.810 3.828 3.812 3.851 0.041 5 0 "[ . 1]" 1
74 1 6 TRP HB2 1 6 TRP HE3 3.850 . 3.850 3.436 3.379 3.536 . 0 0 "[ . 1]" 1
75 1 6 TRP HA 1 7 LYS QB 5.360 . 5.360 4.271 3.954 4.392 . 0 0 "[ . 1]" 1
76 1 6 TRP HB3 1 7 LYS H 4.830 . 4.830 3.297 3.226 3.409 . 0 0 "[ . 1]" 1
77 1 6 TRP HB2 1 7 LYS H 4.100 . 4.100 4.239 4.208 4.292 0.192 3 0 "[ . 1]" 1
78 1 6 TRP HD1 1 7 LYS H 5.410 . 5.410 4.904 4.767 5.122 . 0 0 "[ . 1]" 1
79 1 6 TRP HA 1 7 LYS H 2.970 . 2.970 2.084 2.067 2.108 . 0 0 "[ . 1]" 1
80 1 6 TRP HB3 1 37 LYS QD 4.830 . 4.830 4.858 4.832 4.937 0.107 10 0 "[ . 1]" 1
81 1 6 TRP H 1 37 LYS HA 5.350 . 5.350 5.434 5.414 5.463 0.113 8 0 "[ . 1]" 1
82 1 6 TRP HA 1 37 LYS QD 4.560 . 4.560 4.326 4.097 4.577 0.017 10 0 "[ . 1]" 1
83 1 6 TRP HE3 1 38 LEU MD2 5.500 . 5.500 4.262 3.936 4.634 . 0 0 "[ . 1]" 1
84 1 6 TRP HB3 1 38 LEU HB2 4.300 . 4.300 4.384 4.363 4.413 0.113 7 0 "[ . 1]" 1
85 1 6 TRP HE3 1 38 LEU HG 4.770 . 4.770 4.798 4.761 4.833 0.063 5 0 "[ . 1]" 1
86 1 6 TRP HB3 1 38 LEU HB3 5.310 . 5.310 3.021 2.951 3.089 . 0 0 "[ . 1]" 1
87 1 6 TRP HB2 1 38 LEU H 4.730 . 4.730 3.758 3.590 3.947 . 0 0 "[ . 1]" 1
88 1 6 TRP H 1 38 LEU H 4.580 . 4.580 4.159 4.083 4.203 . 0 0 "[ . 1]" 1
89 1 6 TRP HB3 1 38 LEU HG 4.900 . 4.900 4.861 4.717 4.954 0.054 1 0 "[ . 1]" 1
90 1 6 TRP HB3 1 38 LEU H 4.500 . 4.500 4.165 4.019 4.310 . 0 0 "[ . 1]" 1
91 1 6 TRP H 1 39 THR HA 3.990 . 3.990 2.275 2.109 2.411 . 0 0 "[ . 1]" 1
92 1 6 TRP HE1 1 40 ILE MD 4.730 . 4.730 3.404 2.904 4.423 . 0 0 "[ . 1]" 1
93 1 6 TRP HD1 1 40 ILE QG 4.230 . 4.230 3.760 2.575 4.250 0.020 2 0 "[ . 1]" 1
94 1 6 TRP HD1 1 40 ILE MD 3.890 . 3.890 3.890 3.819 3.926 0.036 5 0 "[ . 1]" 1
95 1 6 TRP HH2 1 108 ILE MG 4.850 . 4.850 4.619 3.972 4.865 0.015 4 0 "[ . 1]" 1
96 1 6 TRP HH2 1 108 ILE MD 4.630 . 4.630 2.534 1.878 2.905 . 0 0 "[ . 1]" 1
97 1 6 TRP HZ3 1 108 ILE MD 4.710 . 4.710 3.862 3.057 4.336 . 0 0 "[ . 1]" 1
98 1 6 TRP HE3 1 128 PHE HB2 4.260 . 4.260 4.222 3.951 4.313 0.053 8 0 "[ . 1]" 1
99 1 6 TRP HB2 1 128 PHE HD1 4.810 . 4.810 4.913 4.885 4.938 0.128 9 0 "[ . 1]" 1
100 1 6 TRP HB2 1 128 PHE HE2 5.500 . 5.500 5.627 5.593 5.651 0.151 8 0 "[ . 1]" 1
101 1 6 TRP HB3 1 128 PHE HE2 5.470 . 5.470 4.333 4.283 4.392 . 0 0 "[ . 1]" 1
102 1 6 TRP HB3 1 128 PHE HD1 4.330 . 4.330 3.346 3.316 3.374 . 0 0 "[ . 1]" 1
103 1 6 TRP HA 1 130 LYS HA 3.500 . 3.500 3.087 2.997 3.146 . 0 0 "[ . 1]" 1
104 1 6 TRP HA 1 131 ASP H 3.830 . 3.830 3.840 3.788 3.856 0.026 5 0 "[ . 1]" 1
105 1 7 LYS HA 1 7 LYS QG 3.960 . 3.960 3.204 2.527 3.348 . 0 0 "[ . 1]" 1
106 1 7 LYS H 1 7 LYS QB 3.430 . 3.430 2.839 2.408 2.986 . 0 0 "[ . 1]" 1
107 1 7 LYS QE 1 7 LYS QG 3.490 . 3.490 2.112 1.952 2.495 . 0 0 "[ . 1]" 1
108 1 7 LYS QB 1 7 LYS QE 4.200 . 4.200 2.988 2.024 3.507 . 0 0 "[ . 1]" 1
109 1 7 LYS HA 1 7 LYS QE 5.420 . 5.420 4.819 3.767 5.451 0.031 3 0 "[ . 1]" 1
110 1 7 LYS H 1 7 LYS QG 4.110 . 4.110 2.610 2.136 4.113 0.003 7 0 "[ . 1]" 1
111 1 7 LYS HA 1 8 VAL H 2.900 . 2.900 2.091 2.077 2.108 . 0 0 "[ . 1]" 1
112 1 7 LYS HA 1 8 VAL MG1 4.930 . 4.930 4.071 3.929 4.208 . 0 0 "[ . 1]" 1
113 1 7 LYS HA 1 8 VAL HB 4.600 . 4.600 4.287 4.229 4.333 . 0 0 "[ . 1]" 1
114 1 7 LYS HA 1 8 VAL MG2 5.190 . 5.190 5.313 5.275 5.342 0.152 5 0 "[ . 1]" 1
115 1 7 LYS QB 1 8 VAL H 3.900 . 3.900 3.412 3.226 3.844 . 0 0 "[ . 1]" 1
116 1 7 LYS QG 1 8 VAL H 4.150 . 4.150 3.924 2.673 4.272 0.122 6 0 "[ . 1]" 1
117 1 7 LYS QG 1 8 VAL MG1 5.380 . 5.380 4.859 3.270 5.409 0.029 4 0 "[ . 1]" 1
118 1 7 LYS QB 1 37 LYS HA 3.740 . 3.740 3.716 3.505 3.789 0.049 10 0 "[ . 1]" 1
119 1 7 LYS HA 1 37 LYS QG 5.500 . 5.500 4.065 2.506 4.995 . 0 0 "[ . 1]" 1
120 1 7 LYS HA 1 37 LYS QD 4.140 . 4.140 3.048 2.523 3.382 . 0 0 "[ . 1]" 1
121 1 7 LYS HA 1 37 LYS HA 3.110 . 3.110 2.560 2.310 2.677 . 0 0 "[ . 1]" 1
122 1 7 LYS HA 1 38 LEU H 3.700 . 3.700 2.873 2.720 2.973 . 0 0 "[ . 1]" 1
123 1 7 LYS HA 1 128 PHE QD 4.470 . 4.470 4.482 4.371 4.536 0.066 9 0 "[ . 1]" 1
124 1 7 LYS QG 1 128 PHE HD1 5.500 . 5.500 4.833 4.553 5.398 . 0 0 "[ . 1]" 1
125 1 7 LYS QE 1 129 LYS HB2 4.210 . 4.210 3.067 2.070 4.229 0.019 6 0 "[ . 1]" 1
126 1 7 LYS QE 1 129 LYS HG2 4.600 . 4.600 4.465 3.945 4.650 0.050 1 0 "[ . 1]" 1
127 1 7 LYS H 1 129 LYS H 4.230 . 4.230 4.177 4.047 4.245 0.015 7 0 "[ . 1]" 1
128 1 7 LYS QE 1 129 LYS HG3 4.980 . 4.980 3.909 3.027 4.550 . 0 0 "[ . 1]" 1
129 1 7 LYS H 1 130 LYS QB 4.290 . 4.290 4.355 4.331 4.380 0.090 6 0 "[ . 1]" 1
130 1 7 LYS H 1 130 LYS HA 4.300 . 4.300 2.708 2.576 2.825 . 0 0 "[ . 1]" 1
131 1 7 LYS H 1 131 ASP HB2 4.670 . 4.670 4.474 4.243 4.675 0.005 9 0 "[ . 1]" 1
132 1 7 LYS H 1 131 ASP H 4.850 . 4.850 3.650 3.469 3.791 . 0 0 "[ . 1]" 1
133 1 7 LYS QE 1 131 ASP HB2 5.090 . 5.090 4.620 2.810 5.106 0.016 6 0 "[ . 1]" 1
134 1 7 LYS QB 1 131 ASP HB2 3.750 . 3.750 3.422 3.023 3.754 0.004 2 0 "[ . 1]" 1
135 1 7 LYS QE 1 131 ASP HA 4.430 . 4.430 3.415 1.903 4.437 0.007 6 0 "[ . 1]" 1
136 1 7 LYS QG 1 131 ASP HB2 5.180 . 5.180 3.380 2.274 5.067 . 0 0 "[ . 1]" 1
137 1 8 VAL HA 1 8 VAL MG2 3.580 . 3.580 2.106 2.029 2.251 . 0 0 "[ . 1]" 1
138 1 8 VAL H 1 8 VAL HB 3.110 . 3.110 2.322 2.226 2.397 . 0 0 "[ . 1]" 1
139 1 8 VAL MG2 1 9 ASP H 4.360 . 4.360 2.457 2.334 2.601 . 0 0 "[ . 1]" 1
140 1 8 VAL HB 1 9 ASP H 4.670 . 4.670 4.278 4.190 4.379 . 0 0 "[ . 1]" 1
141 1 8 VAL MG1 1 9 ASP H 5.170 . 5.170 3.597 3.410 3.772 . 0 0 "[ . 1]" 1
142 1 8 VAL HA 1 9 ASP H 3.120 . 3.120 2.186 2.164 2.212 . 0 0 "[ . 1]" 1
143 1 8 VAL HA 1 9 ASP HA 5.080 . 5.080 4.362 4.355 4.367 . 0 0 "[ . 1]" 1
144 1 8 VAL MG2 1 10 ARG H 4.370 . 4.370 3.381 2.588 3.768 . 0 0 "[ . 1]" 1
145 1 8 VAL MG1 1 10 ARG H 5.430 . 5.430 4.512 4.089 5.057 . 0 0 "[ . 1]" 1
146 1 8 VAL MG1 1 34 ASP HA 4.310 . 4.310 4.340 4.321 4.365 0.055 9 0 "[ . 1]" 1
147 1 8 VAL H 1 37 LYS HA 4.730 . 4.730 3.319 2.883 3.544 . 0 0 "[ . 1]" 1
148 1 8 VAL HB 1 38 LEU HB3 4.880 . 4.880 4.963 4.924 4.990 0.110 5 0 "[ . 1]" 1
149 1 8 VAL HB 1 38 LEU HB2 4.870 . 4.870 3.962 3.828 4.087 . 0 0 "[ . 1]" 1
150 1 8 VAL MG1 1 126 ARG HG2 4.980 . 4.980 4.601 4.346 4.981 0.001 10 0 "[ . 1]" 1
151 1 8 VAL MG2 1 126 ARG HB3 4.650 . 4.650 4.042 3.847 4.208 . 0 0 "[ . 1]" 1
152 1 8 VAL MG2 1 126 ARG HG3 3.320 . 3.320 2.247 1.875 2.441 . 0 0 "[ . 1]" 1
153 1 8 VAL MG2 1 126 ARG HB2 5.500 . 5.500 4.063 3.891 4.193 . 0 0 "[ . 1]" 1
154 1 8 VAL MG2 1 127 ILE H 4.570 . 4.570 4.097 3.614 4.501 . 0 0 "[ . 1]" 1
155 1 8 VAL HB 1 128 PHE HD1 4.810 . 4.810 3.712 3.373 4.010 . 0 0 "[ . 1]" 1
156 1 8 VAL HB 1 128 PHE QD 4.670 . 4.670 3.705 3.368 4.001 . 0 0 "[ . 1]" 1
157 1 8 VAL HA 1 128 PHE HD1 4.720 . 4.720 2.279 2.112 2.402 . 0 0 "[ . 1]" 1
158 1 8 VAL HA 1 128 PHE HB3 5.280 . 5.280 4.959 4.772 5.155 . 0 0 "[ . 1]" 1
159 1 8 VAL HA 1 128 PHE QD 3.400 . 3.400 2.278 2.111 2.400 . 0 0 "[ . 1]" 1
160 1 8 VAL HA 1 128 PHE HA 3.130 . 3.130 2.548 2.241 2.807 . 0 0 "[ . 1]" 1
161 1 8 VAL MG2 1 128 PHE HA 4.880 . 4.880 2.839 2.363 3.213 . 0 0 "[ . 1]" 1
162 1 8 VAL HA 1 129 LYS H 4.150 . 4.150 2.933 2.642 3.224 . 0 0 "[ . 1]" 1
163 1 8 VAL MG2 1 129 LYS H 5.500 . 5.500 4.239 3.891 4.518 . 0 0 "[ . 1]" 1
164 1 9 ASP H 1 9 ASP HB2 3.960 . 3.960 2.910 2.706 3.249 . 0 0 "[ . 1]" 1
165 1 9 ASP H 1 9 ASP HB3 3.790 . 3.790 2.400 2.164 2.513 . 0 0 "[ . 1]" 1
166 1 9 ASP H 1 10 ARG H 3.360 . 3.360 2.699 2.411 2.928 . 0 0 "[ . 1]" 1
167 1 9 ASP HB3 1 10 ARG H 3.570 . 3.570 2.185 1.926 2.753 . 0 0 "[ . 1]" 1
168 1 9 ASP HB3 1 10 ARG HG2 4.500 . 4.500 3.217 2.680 3.977 . 0 0 "[ . 1]" 1
169 1 9 ASP HB3 1 127 ILE HB 5.310 . 5.310 3.345 2.784 3.791 . 0 0 "[ . 1]" 1
170 1 9 ASP H 1 128 PHE HA 3.630 . 3.630 2.330 2.157 2.518 . 0 0 "[ . 1]" 1
171 1 9 ASP HB3 1 129 LYS QD 4.540 . 4.540 4.094 3.175 4.562 0.022 8 0 "[ . 1]" 1
172 1 9 ASP HB2 1 129 LYS HG3 4.070 . 4.070 2.485 1.958 3.620 . 0 0 "[ . 1]" 1
173 1 9 ASP HB2 1 129 LYS HB3 5.100 . 5.100 3.335 1.938 3.997 . 0 0 "[ . 1]" 1
174 1 9 ASP HB2 1 129 LYS QD 4.210 . 4.210 3.184 1.975 3.880 . 0 0 "[ . 1]" 1
175 1 9 ASP HB3 1 129 LYS HG3 4.300 . 4.300 3.368 2.259 4.329 0.029 6 0 "[ . 1]" 1
176 1 10 ARG H 1 10 ARG HG2 3.700 . 3.700 2.281 1.921 3.084 . 0 0 "[ . 1]" 1
177 1 10 ARG H 1 10 ARG HG3 4.190 . 4.190 3.085 2.803 3.406 . 0 0 "[ . 1]" 1
178 1 10 ARG QD 1 11 SER H 4.650 . 4.650 4.611 4.374 4.678 0.028 5 0 "[ . 1]" 1
179 1 10 ARG HG3 1 11 SER H 5.060 . 5.060 3.858 3.230 4.084 . 0 0 "[ . 1]" 1
180 1 10 ARG QB 1 11 SER H 3.190 . 3.190 2.416 2.188 2.708 . 0 0 "[ . 1]" 1
181 1 10 ARG QB 1 11 SER HA 4.970 . 4.970 4.240 4.036 4.576 . 0 0 "[ . 1]" 1
182 1 10 ARG HG2 1 11 SER H 4.800 . 4.800 4.703 4.452 4.858 0.058 10 0 "[ . 1]" 1
183 1 10 ARG HG3 1 11 SER HA 5.270 . 5.270 4.146 3.480 4.584 . 0 0 "[ . 1]" 1
184 1 10 ARG HA 1 11 SER H 2.900 . 2.900 2.397 2.306 2.492 . 0 0 "[ . 1]" 1
185 1 10 ARG HG3 1 127 ILE MD 4.170 . 4.170 3.075 1.939 3.625 . 0 0 "[ . 1]" 1
186 1 10 ARG HG2 1 127 ILE MG 4.550 . 4.550 3.113 2.554 3.453 . 0 0 "[ . 1]" 1
187 1 10 ARG H 1 127 ILE HA 5.310 . 5.310 5.022 4.841 5.107 . 0 0 "[ . 1]" 1
188 1 10 ARG HG3 1 127 ILE HG12 2.620 . 2.620 2.111 1.786 2.654 0.034 3 0 "[ . 1]" 1
189 1 10 ARG HG3 1 127 ILE HB 4.270 . 4.270 2.315 1.916 3.310 . 0 0 "[ . 1]" 1
190 1 10 ARG H 1 127 ILE HB 4.060 . 4.060 2.740 2.471 2.907 . 0 0 "[ . 1]" 1
191 1 10 ARG H 1 127 ILE MG 4.920 . 4.920 3.968 3.193 4.386 . 0 0 "[ . 1]" 1
192 1 10 ARG QB 1 127 ILE MD 4.790 . 4.790 4.382 2.991 4.952 0.162 2 0 "[ . 1]" 1
193 1 10 ARG H 1 127 ILE H 4.070 . 4.070 3.779 3.502 3.939 . 0 0 "[ . 1]" 1
194 1 10 ARG QD 1 127 ILE MD 4.920 . 4.920 3.383 2.799 4.670 . 0 0 "[ . 1]" 1
195 1 10 ARG HG2 1 127 ILE MD 4.360 . 4.360 3.882 3.293 4.420 0.060 1 0 "[ . 1]" 1
196 1 10 ARG H 1 128 PHE H 5.210 . 5.210 5.184 5.048 5.247 0.037 4 0 "[ . 1]" 1
197 1 10 ARG H 1 128 PHE HA 4.600 . 4.600 4.119 3.952 4.297 . 0 0 "[ . 1]" 1
198 1 11 SER H 1 11 SER HB3 3.610 . 3.610 3.244 3.017 3.738 0.128 3 0 "[ . 1]" 1
199 1 11 SER HA 1 12 GLU HA 4.980 . 4.980 4.460 4.379 4.519 . 0 0 "[ . 1]" 1
200 1 11 SER HA 1 12 GLU H 3.280 . 3.280 2.325 2.156 2.421 . 0 0 "[ . 1]" 1
201 1 11 SER HB3 1 12 GLU H 3.930 . 3.930 3.746 2.871 3.955 0.025 1 0 "[ . 1]" 1
202 1 11 SER HB3 1 14 TYR HB2 4.550 . 4.550 3.295 1.969 3.788 . 0 0 "[ . 1]" 1
203 1 11 SER HB2 1 14 TYR HB3 3.790 . 3.790 3.649 3.247 3.908 0.118 9 0 "[ . 1]" 1
204 1 11 SER HB2 1 14 TYR HB2 4.170 . 4.170 2.368 1.969 3.302 . 0 0 "[ . 1]" 1
205 1 11 SER HB2 1 33 HIS HB2 4.960 . 4.960 3.621 1.919 4.794 . 0 0 "[ . 1]" 1
206 1 11 SER HB3 1 33 HIS HA 3.850 . 3.850 3.839 3.710 3.925 0.075 3 0 "[ . 1]" 1
207 1 11 SER HB2 1 33 HIS HA 5.070 . 5.070 4.749 2.922 5.140 0.070 8 0 "[ . 1]" 1
208 1 11 SER HB3 1 33 HIS HB2 4.770 . 4.770 2.552 1.984 3.105 . 0 0 "[ . 1]" 1
209 1 11 SER HB3 1 33 HIS HB3 4.670 . 4.670 2.471 1.824 4.693 0.023 3 0 "[ . 1]" 1
210 1 11 SER HA 1 126 ARG HG3 5.100 . 5.100 2.959 2.372 3.796 . 0 0 "[ . 1]" 1
211 1 11 SER HB2 1 126 ARG HG3 5.300 . 5.300 3.866 3.324 5.305 0.005 3 0 "[ . 1]" 1
212 1 11 SER HA 1 126 ARG HA 4.010 . 4.010 2.147 1.932 2.516 . 0 0 "[ . 1]" 1
213 1 11 SER HA 1 127 ILE MD 5.190 . 5.190 4.517 2.996 5.201 0.011 2 0 "[ . 1]" 1
214 1 11 SER HA 1 127 ILE H 4.520 . 4.520 3.094 2.628 3.423 . 0 0 "[ . 1]" 1
215 1 12 GLU QB 1 13 ASN H 4.060 . 4.060 3.381 3.083 3.635 . 0 0 "[ . 1]" 1
216 1 12 GLU HA 1 13 ASN H 2.970 . 2.970 2.158 2.142 2.172 . 0 0 "[ . 1]" 1
217 1 12 GLU H 1 14 TYR HB3 5.060 . 5.060 5.062 4.979 5.111 0.051 9 0 "[ . 1]" 1
218 1 12 GLU H 1 124 ALA MB 5.080 . 5.080 3.918 3.689 4.260 . 0 0 "[ . 1]" 1
219 1 12 GLU H 1 125 LYS H 4.320 . 4.320 3.514 3.291 3.898 . 0 0 "[ . 1]" 1
220 1 12 GLU H 1 125 LYS QB 4.390 . 4.390 3.995 3.809 4.224 . 0 0 "[ . 1]" 1
221 1 13 ASN H 1 13 ASN HB3 3.900 . 3.900 4.052 4.041 4.073 0.173 9 0 "[ . 1]" 1
222 1 13 ASN H 1 13 ASN HA 2.550 . 2.550 2.259 2.254 2.262 . 0 0 "[ . 1]" 1
223 1 13 ASN HB2 1 14 TYR HA 5.030 . 5.030 5.060 4.987 5.087 0.057 1 0 "[ . 1]" 1
224 1 13 ASN HA 1 14 TYR H 3.430 . 3.430 3.133 3.106 3.202 . 0 0 "[ . 1]" 1
225 1 13 ASN HB2 1 14 TYR H 4.550 . 4.550 3.975 3.906 4.021 . 0 0 "[ . 1]" 1
226 1 13 ASN H 1 14 TYR H 3.760 . 3.760 2.685 2.635 2.711 . 0 0 "[ . 1]" 1
227 1 13 ASN HA 1 15 ASP H 4.330 . 4.330 3.729 3.566 3.882 . 0 0 "[ . 1]" 1
228 1 13 ASN HA 1 16 LYS HB3 4.180 . 4.180 4.157 3.904 4.203 0.023 8 0 "[ . 1]" 1
229 1 13 ASN HA 1 16 LYS H 4.480 . 4.480 3.028 2.916 3.110 . 0 0 "[ . 1]" 1
230 1 13 ASN HA 1 16 LYS QD 4.230 . 4.230 3.284 3.056 3.461 . 0 0 "[ . 1]" 1
231 1 13 ASN HB2 1 16 LYS HB3 5.230 . 5.230 4.657 4.547 4.789 . 0 0 "[ . 1]" 1
232 1 13 ASN HB2 1 124 ALA HA 3.400 . 3.400 1.885 1.839 1.972 . 0 0 "[ . 1]" 1
233 1 13 ASN HB2 1 124 ALA MB 3.990 . 3.990 2.973 2.776 3.114 . 0 0 "[ . 1]" 1
234 1 13 ASN HB2 1 125 LYS QE 4.230 . 4.230 3.995 3.236 4.233 0.003 6 0 "[ . 1]" 1
235 1 13 ASN H 1 125 LYS H 5.250 . 5.250 4.638 4.533 4.896 . 0 0 "[ . 1]" 1
236 1 13 ASN HB2 1 125 LYS H 4.270 . 4.270 2.711 2.414 2.890 . 0 0 "[ . 1]" 1
237 1 14 TYR H 1 14 TYR HB2 3.330 . 3.330 2.255 2.192 2.398 . 0 0 "[ . 1]" 1
238 1 14 TYR H 1 14 TYR QD 4.330 . 4.330 4.123 4.086 4.214 . 0 0 "[ . 1]" 1
239 1 14 TYR HA 1 14 TYR HD1 4.130 . 4.130 2.815 2.533 3.543 . 0 0 "[ . 1]" 1
240 1 14 TYR H 1 14 TYR HB3 3.260 . 3.260 2.847 2.688 2.951 . 0 0 "[ . 1]" 1
241 1 14 TYR HB3 1 15 ASP HA 4.830 . 4.830 4.025 3.942 4.226 . 0 0 "[ . 1]" 1
242 1 14 TYR H 1 15 ASP QB 4.610 . 4.610 4.492 4.378 4.624 0.014 7 0 "[ . 1]" 1
243 1 14 TYR QD 1 15 ASP H 4.510 . 4.510 3.959 3.545 4.106 . 0 0 "[ . 1]" 1
244 1 14 TYR H 1 15 ASP H 3.880 . 3.880 2.708 2.667 2.754 . 0 0 "[ . 1]" 1
245 1 14 TYR HB3 1 15 ASP H 3.930 . 3.930 2.548 2.432 2.679 . 0 0 "[ . 1]" 1
246 1 14 TYR HB2 1 15 ASP H 3.730 . 3.730 3.584 3.476 3.757 0.027 9 0 "[ . 1]" 1
247 1 14 TYR HA 1 16 LYS H 4.780 . 4.780 3.954 3.800 4.078 . 0 0 "[ . 1]" 1
248 1 14 TYR HA 1 17 PHE QB 3.970 . 3.970 3.523 3.411 3.721 . 0 0 "[ . 1]" 1
249 1 14 TYR HA 1 17 PHE H 4.570 . 4.570 3.498 3.432 3.613 . 0 0 "[ . 1]" 1
250 1 14 TYR HD1 1 32 ALA HA 5.180 . 5.180 3.799 2.913 4.213 . 0 0 "[ . 1]" 1
251 1 14 TYR QD 1 32 ALA HA 4.110 . 4.110 3.593 2.889 3.997 . 0 0 "[ . 1]" 1
252 1 14 TYR QE 1 32 ALA HA 4.440 . 4.440 3.672 2.566 4.019 . 0 0 "[ . 1]" 1
253 1 14 TYR HD1 1 32 ALA MB 5.140 . 5.140 4.736 3.482 5.206 0.066 9 0 "[ . 1]" 1
254 1 14 TYR HD2 1 32 ALA HA 4.920 . 4.920 4.603 3.929 4.970 0.050 9 0 "[ . 1]" 1
255 1 14 TYR QE 1 32 ALA MB 4.960 . 4.960 4.733 3.766 5.016 0.056 7 0 "[ . 1]" 1
256 1 14 TYR HD2 1 32 ALA MB 5.500 . 5.500 5.143 4.800 5.304 . 0 0 "[ . 1]" 1
257 1 14 TYR HB2 1 124 ALA MB 4.060 . 4.060 3.705 3.586 3.818 . 0 0 "[ . 1]" 1
258 1 14 TYR HD1 1 124 ALA MB 4.300 . 4.300 4.503 4.303 5.274 0.974 1 2 "[+ -. 1]" 1
259 1 14 TYR HB3 1 124 ALA MB 4.500 . 4.500 4.564 4.501 4.615 0.115 10 0 "[ . 1]" 1
260 1 14 TYR HD2 1 124 ALA MB 5.500 . 5.500 4.768 4.320 5.354 . 0 0 "[ . 1]" 1
261 1 14 TYR H 1 124 ALA MB 4.530 . 4.530 3.117 2.983 3.192 . 0 0 "[ . 1]" 1
262 1 14 TYR HA 1 124 ALA MB 3.700 . 3.700 2.297 2.245 2.366 . 0 0 "[ . 1]" 1
263 1 14 TYR HA 1 125 LYS H 5.340 . 5.340 5.280 5.163 5.351 0.011 3 0 "[ . 1]" 1
264 1 14 TYR H 1 125 LYS H 5.110 . 5.110 4.650 4.534 4.753 . 0 0 "[ . 1]" 1
265 1 15 ASP H 1 15 ASP QB 2.710 . 2.710 2.271 2.141 2.491 . 0 0 "[ . 1]" 1
266 1 15 ASP H 1 16 LYS H 3.570 . 3.570 2.623 2.545 2.704 . 0 0 "[ . 1]" 1
267 1 15 ASP QB 1 16 LYS H 3.300 . 3.300 2.733 2.651 2.840 . 0 0 "[ . 1]" 1
268 1 15 ASP QB 1 16 LYS QD 4.670 . 4.670 4.709 4.698 4.732 0.062 7 0 "[ . 1]" 1
269 1 15 ASP HA 1 17 PHE H 5.060 . 5.060 4.088 3.997 4.178 . 0 0 "[ . 1]" 1
270 1 15 ASP HA 1 18 MET H 4.370 . 4.370 3.066 2.996 3.123 . 0 0 "[ . 1]" 1
271 1 15 ASP HA 1 28 ARG HD3 4.570 . 4.570 4.307 3.154 4.616 0.046 7 0 "[ . 1]" 1
272 1 15 ASP HA 1 28 ARG QG 4.570 . 4.570 4.290 4.027 4.594 0.024 2 0 "[ . 1]" 1
273 1 16 LYS HA 1 16 LYS HG2 3.510 . 3.510 3.536 3.517 3.546 0.036 7 0 "[ . 1]" 1
274 1 16 LYS QD 1 16 LYS HG3 2.650 . 2.650 2.465 2.453 2.480 . 0 0 "[ . 1]" 1
275 1 16 LYS H 1 16 LYS QD 4.560 . 4.560 3.606 3.558 3.667 . 0 0 "[ . 1]" 1
276 1 16 LYS HA 1 16 LYS QE 4.840 . 4.840 3.569 3.433 3.641 . 0 0 "[ . 1]" 1
277 1 16 LYS HA 1 16 LYS QD 3.050 . 3.050 3.054 3.019 3.073 0.023 8 0 "[ . 1]" 1
278 1 16 LYS H 1 16 LYS HG3 4.410 . 4.410 4.266 4.248 4.291 . 0 0 "[ . 1]" 1
279 1 16 LYS H 1 16 LYS QE 5.240 . 5.240 5.174 5.118 5.242 0.002 2 0 "[ . 1]" 1
280 1 16 LYS QE 1 16 LYS HG3 3.810 . 3.810 2.179 2.062 2.253 . 0 0 "[ . 1]" 1
281 1 16 LYS H 1 16 LYS HB2 3.460 . 3.460 2.124 2.108 2.147 . 0 0 "[ . 1]" 1
282 1 16 LYS HA 1 16 LYS HG3 3.070 . 3.070 2.241 2.213 2.256 . 0 0 "[ . 1]" 1
283 1 16 LYS HB3 1 16 LYS QE 4.480 . 4.480 4.303 4.257 4.403 . 0 0 "[ . 1]" 1
284 1 16 LYS HB2 1 16 LYS QE 4.380 . 4.380 3.788 3.751 3.818 . 0 0 "[ . 1]" 1
285 1 16 LYS H 1 16 LYS HB3 2.980 . 2.980 2.941 2.907 2.968 . 0 0 "[ . 1]" 1
286 1 16 LYS H 1 16 LYS QB 3.450 . 3.450 2.078 2.065 2.094 . 0 0 "[ . 1]" 1
287 1 16 LYS HG2 1 17 PHE QE 4.830 . 4.830 3.599 3.563 3.634 . 0 0 "[ . 1]" 1
288 1 16 LYS HB2 1 17 PHE HD1 4.680 . 4.680 3.547 3.486 3.583 . 0 0 "[ . 1]" 1
289 1 16 LYS HA 1 17 PHE QD 4.120 . 4.120 4.216 4.193 4.242 0.122 9 0 "[ . 1]" 1
290 1 16 LYS HB2 1 17 PHE H 4.300 . 4.300 3.486 3.426 3.512 . 0 0 "[ . 1]" 1
291 1 16 LYS QD 1 17 PHE H 5.430 . 5.430 5.004 4.959 5.038 . 0 0 "[ . 1]" 1
292 1 16 LYS HG3 1 17 PHE HE1 4.930 . 4.930 5.031 5.014 5.058 0.128 10 0 "[ . 1]" 1
293 1 16 LYS HB2 1 17 PHE HE1 4.600 . 4.600 4.353 4.279 4.409 . 0 0 "[ . 1]" 1
294 1 16 LYS HB3 1 17 PHE HE1 4.430 . 4.430 2.942 2.882 2.970 . 0 0 "[ . 1]" 1
295 1 16 LYS QD 1 17 PHE HE1 4.570 . 4.570 4.684 4.659 4.707 0.137 10 0 "[ . 1]" 1
296 1 16 LYS HB3 1 17 PHE H 3.870 . 3.870 2.585 2.538 2.670 . 0 0 "[ . 1]" 1
297 1 16 LYS HG2 1 17 PHE QD 4.110 . 4.110 3.676 3.626 3.763 . 0 0 "[ . 1]" 1
298 1 16 LYS HA 1 19 GLU H 3.520 . 3.520 3.582 3.327 3.663 0.143 4 0 "[ . 1]" 1
299 1 16 LYS H 1 19 GLU HG2 5.150 . 5.150 4.906 4.664 5.175 0.025 9 0 "[ . 1]" 1
300 1 16 LYS HA 1 19 GLU HG3 3.930 . 3.930 3.940 3.931 3.986 0.056 9 0 "[ . 1]" 1
301 1 16 LYS HA 1 19 GLU HG2 3.390 . 3.390 3.310 2.531 3.408 0.018 2 0 "[ . 1]" 1
302 1 16 LYS HA 1 19 GLU HB2 3.600 . 3.600 3.610 3.467 3.725 0.125 9 0 "[ . 1]" 1
303 1 17 PHE HA 1 17 PHE HE1 5.110 . 5.110 4.581 4.525 4.633 . 0 0 "[ . 1]" 1
304 1 17 PHE H 1 17 PHE QB 3.580 . 3.580 2.310 2.257 2.342 . 0 0 "[ . 1]" 1
305 1 17 PHE QB 1 17 PHE HE1 5.000 . 5.000 4.597 4.569 4.613 . 0 0 "[ . 1]" 1
306 1 17 PHE QB 1 18 MET H 3.910 . 3.910 2.931 2.718 3.010 . 0 0 "[ . 1]" 1
307 1 17 PHE QB 1 19 GLU H 5.360 . 5.360 4.728 4.398 4.860 . 0 0 "[ . 1]" 1
308 1 17 PHE HA 1 20 LYS HB2 4.490 . 4.490 4.371 3.084 4.541 0.051 1 0 "[ . 1]" 1
309 1 17 PHE HA 1 20 LYS HB3 4.640 . 4.640 3.347 2.955 3.867 . 0 0 "[ . 1]" 1
310 1 17 PHE HA 1 20 LYS H 4.260 . 4.260 3.777 3.475 4.022 . 0 0 "[ . 1]" 1
311 1 17 PHE QB 1 122 VAL HB 5.500 . 5.500 5.565 5.460 5.662 0.162 10 0 "[ . 1]" 1
312 1 17 PHE HA 1 122 VAL QG 3.490 . 3.490 2.416 2.284 2.637 . 0 0 "[ . 1]" 1
313 1 17 PHE QB 1 122 VAL QG 3.770 . 3.770 3.614 3.525 3.734 . 0 0 "[ . 1]" 1
314 1 17 PHE HA 1 122 VAL HB 4.350 . 4.350 4.171 4.034 4.271 . 0 0 "[ . 1]" 1
315 1 17 PHE H 1 122 VAL QG 3.930 . 3.930 3.160 3.014 3.354 . 0 0 "[ . 1]" 1
316 1 17 PHE HA 1 124 ALA MB 5.190 . 5.190 4.791 4.644 4.874 . 0 0 "[ . 1]" 1
317 1 17 PHE H 1 124 ALA MB 4.470 . 4.470 3.398 3.220 3.516 . 0 0 "[ . 1]" 1
318 1 17 PHE QB 1 124 ALA MB 3.580 . 3.580 3.647 3.593 3.695 0.115 9 0 "[ . 1]" 1
319 1 18 MET H 1 18 MET HG2 5.380 . 5.380 3.613 2.202 4.234 . 0 0 "[ . 1]" 1
320 1 18 MET H 1 18 MET HG3 3.670 . 3.670 3.756 3.683 3.827 0.157 1 0 "[ . 1]" 1
321 1 18 MET QB 1 19 GLU H 4.780 . 4.780 2.831 2.739 2.919 . 0 0 "[ . 1]" 1
322 1 18 MET H 1 19 GLU H 3.970 . 3.970 2.547 2.370 2.762 . 0 0 "[ . 1]" 1
323 1 18 MET HA 1 21 MET QB 4.740 . 4.740 3.726 3.412 4.011 . 0 0 "[ . 1]" 1
324 1 18 MET HA 1 21 MET H 4.610 . 4.610 4.482 4.125 4.630 0.020 6 0 "[ . 1]" 1
325 1 18 MET QB 1 23 VAL H 5.240 . 5.240 3.604 3.303 3.945 . 0 0 "[ . 1]" 1
326 1 18 MET QB 1 23 VAL MG1 5.080 . 5.080 4.156 3.549 4.467 . 0 0 "[ . 1]" 1
327 1 18 MET HG3 1 28 ARG HD3 4.450 . 4.450 3.944 1.830 4.491 0.041 9 0 "[ . 1]" 1
328 1 18 MET HA 1 28 ARG QG 4.950 . 4.950 4.467 4.138 5.058 0.108 8 0 "[ . 1]" 1
329 1 18 MET HG2 1 28 ARG HB2 3.540 . 3.540 3.579 3.548 3.616 0.076 5 0 "[ . 1]" 1
330 1 18 MET HG2 1 28 ARG HD2 4.500 . 4.500 4.029 3.819 4.559 0.059 8 0 "[ . 1]" 1
331 1 18 MET HG3 1 28 ARG HD2 5.000 . 5.000 4.560 2.504 5.046 0.046 9 0 "[ . 1]" 1
332 1 18 MET HA 1 28 ARG HB2 5.120 . 5.120 4.948 4.143 5.200 0.080 2 0 "[ . 1]" 1
333 1 19 GLU H 1 19 GLU HB2 3.140 . 3.140 2.708 2.601 3.303 0.163 9 0 "[ . 1]" 1
334 1 19 GLU H 1 19 GLU HG3 3.830 . 3.830 3.664 3.547 4.004 0.174 9 0 "[ . 1]" 1
335 1 19 GLU HA 1 19 GLU HG2 3.490 . 3.490 3.295 3.211 3.785 0.295 9 0 "[ . 1]" 1
336 1 19 GLU H 1 19 GLU HG2 3.680 . 3.680 2.222 2.012 3.136 . 0 0 "[ . 1]" 1
337 1 19 GLU H 1 20 LYS H 3.340 . 3.340 2.679 2.621 2.749 . 0 0 "[ . 1]" 1
338 1 19 GLU HB2 1 20 LYS H 3.740 . 3.740 2.334 2.140 3.836 0.096 9 0 "[ . 1]" 1
339 1 19 GLU HG2 1 20 LYS H 4.050 . 4.050 3.689 1.799 3.996 0.001 9 0 "[ . 1]" 1
340 1 19 GLU HB3 1 20 LYS H 4.480 . 4.480 3.410 3.091 3.492 . 0 0 "[ . 1]" 1
341 1 19 GLU HA 1 22 GLY HA3 5.400 . 5.400 5.078 4.759 5.317 . 0 0 "[ . 1]" 1
342 1 19 GLU HA 1 23 VAL H 4.090 . 4.090 4.162 4.132 4.213 0.123 9 0 "[ . 1]" 1
343 1 20 LYS HA 1 20 LYS HD2 3.270 . 3.270 2.804 2.152 3.047 . 0 0 "[ . 1]" 1
344 1 20 LYS H 1 20 LYS QG 4.500 . 4.500 3.912 3.178 4.001 . 0 0 "[ . 1]" 1
345 1 20 LYS H 1 20 LYS HB2 3.560 . 3.560 2.382 2.082 2.574 . 0 0 "[ . 1]" 1
346 1 20 LYS HA 1 20 LYS QG . . 3.710 2.487 2.334 2.635 . 0 0 "[ . 1]" 1
347 1 20 LYS HB2 1 20 LYS HD3 3.990 . 3.990 2.864 2.636 4.181 0.191 10 0 "[ . 1]" 1
348 1 20 LYS HA 1 20 LYS HE2 5.010 . 5.010 4.970 4.209 5.097 0.087 8 0 "[ . 1]" 1
349 1 20 LYS H 1 20 LYS HB3 3.320 . 3.320 2.683 2.468 3.365 0.045 10 0 "[ . 1]" 1
350 1 20 LYS HE2 1 20 LYS QG 3.780 . 3.780 3.160 2.622 3.289 . 0 0 "[ . 1]" 1
351 1 20 LYS H 1 20 LYS HD2 5.180 . 5.180 4.382 4.222 4.622 . 0 0 "[ . 1]" 1
352 1 20 LYS HB2 1 21 MET H 4.480 . 4.480 3.749 2.985 4.174 . 0 0 "[ . 1]" 1
353 1 20 LYS H 1 21 MET H 3.590 . 3.590 2.801 2.651 2.918 . 0 0 "[ . 1]" 1
354 1 20 LYS QG 1 119 TYR QD 4.540 . 4.540 1.996 1.760 3.147 0.040 4 0 "[ . 1]" 1
355 1 20 LYS HB2 1 119 TYR QD 4.360 . 4.360 3.873 3.395 4.329 . 0 0 "[ . 1]" 1
356 1 20 LYS HA 1 119 TYR QD 5.000 . 5.000 4.991 4.639 5.089 0.089 5 0 "[ . 1]" 1
357 1 20 LYS HD3 1 119 TYR QD 4.240 . 4.240 3.854 3.694 4.270 0.030 10 0 "[ . 1]" 1
358 1 20 LYS HE2 1 120 GLU HG2 5.500 . 5.500 5.316 4.502 5.559 0.059 9 0 "[ . 1]" 1
359 1 20 LYS HE3 1 120 GLU HB3 4.370 . 4.370 3.446 2.119 4.401 0.031 10 0 "[ . 1]" 1
360 1 20 LYS HE2 1 120 GLU HG3 5.380 . 5.380 4.848 3.015 5.409 0.029 3 0 "[ . 1]" 1
361 1 20 LYS HE2 1 120 GLU HB3 4.210 . 4.210 3.693 3.017 4.242 0.032 4 0 "[ . 1]" 1
362 1 20 LYS HD3 1 121 GLY HA2 5.040 . 5.040 5.141 5.102 5.204 0.164 9 0 "[ . 1]" 1
363 1 20 LYS HE2 1 122 VAL QG 3.990 . 3.990 3.749 3.558 3.981 . 0 0 "[ . 1]" 1
364 1 20 LYS H 1 122 VAL QG 5.040 . 5.040 3.035 2.816 3.161 . 0 0 "[ . 1]" 1
365 1 20 LYS HE3 1 122 VAL QG 4.130 . 4.130 3.745 3.474 4.186 0.056 10 0 "[ . 1]" 1
366 1 20 LYS HD3 1 122 VAL QG 3.660 . 3.660 1.961 1.780 3.285 0.020 9 0 "[ . 1]" 1
367 1 20 LYS QG 1 122 VAL HB . . 4.290 3.255 1.974 3.809 . 0 0 "[ . 1]" 1
368 1 20 LYS HA 1 122 VAL QG 4.970 . 4.970 3.727 3.660 3.791 . 0 0 "[ . 1]" 1
369 1 20 LYS HD2 1 122 VAL QG 4.400 . 4.400 2.812 2.520 3.744 . 0 0 "[ . 1]" 1
370 1 20 LYS HE3 1 122 VAL H 5.010 . 5.010 4.981 4.633 5.047 0.037 8 0 "[ . 1]" 1
371 1 20 LYS QG 1 122 VAL QG 3.680 . 3.680 1.971 1.668 2.442 0.132 10 0 "[ . 1]" 1
372 1 21 MET H 1 21 MET QG 4.720 . 4.720 2.976 2.049 4.054 . 0 0 "[ . 1]" 1
373 1 21 MET H 1 22 GLY H 3.530 . 3.530 2.385 2.106 2.602 . 0 0 "[ . 1]" 1
374 1 21 MET HG2 1 22 GLY H 5.470 . 5.470 4.878 4.164 5.383 . 0 0 "[ . 1]" 1
375 1 21 MET QB 1 23 VAL H 3.930 . 3.930 3.566 3.328 3.931 0.001 2 0 "[ . 1]" 1
376 1 21 MET HA 1 119 TYR QD . . 4.650 4.411 4.000 4.631 . 0 0 "[ . 1]" 1
377 1 21 MET QB 1 119 TYR QE 4.740 . 4.740 4.177 3.421 4.672 . 0 0 "[ . 1]" 1
378 1 21 MET HA 1 119 TYR QE 3.620 . 3.620 3.057 2.416 3.673 0.053 4 0 "[ . 1]" 1
379 1 22 GLY H 1 23 VAL MG2 4.910 . 4.910 3.496 3.132 4.449 . 0 0 "[ . 1]" 1
380 1 22 GLY H 1 23 VAL H 4.740 . 4.740 2.617 2.338 2.963 . 0 0 "[ . 1]" 1
381 1 23 VAL HA 1 23 VAL MG1 3.240 . 3.240 2.306 2.196 2.522 . 0 0 "[ . 1]" 1
382 1 23 VAL HA 1 23 VAL MG2 3.660 . 3.660 2.632 2.226 3.203 . 0 0 "[ . 1]" 1
383 1 23 VAL H 1 23 VAL MG1 3.960 . 3.960 3.523 2.317 3.873 . 0 0 "[ . 1]" 1
384 1 23 VAL H 1 23 VAL HB 3.730 . 3.730 2.879 2.419 3.731 0.001 2 0 "[ . 1]" 1
385 1 23 VAL H 1 23 VAL MG2 3.390 . 3.390 2.168 1.954 2.452 . 0 0 "[ . 1]" 1
386 1 23 VAL HB 1 24 ASN H 5.180 . 5.180 3.800 2.081 4.328 . 0 0 "[ . 1]" 1
387 1 23 VAL MG1 1 24 ASN H 3.800 . 3.800 3.061 2.569 3.831 0.031 7 0 "[ . 1]" 1
388 1 23 VAL MG2 1 24 ASN H 4.920 . 4.920 3.982 2.702 4.343 . 0 0 "[ . 1]" 1
389 1 23 VAL HA 1 24 ASN H 3.220 . 3.220 2.220 2.141 2.610 . 0 0 "[ . 1]" 1
390 1 23 VAL H 1 24 ASN H 5.130 . 5.130 4.431 4.147 4.574 . 0 0 "[ . 1]" 1
391 1 24 ASN H 1 24 ASN HB2 3.350 . 3.350 2.787 2.111 3.524 0.174 4 0 "[ . 1]" 1
392 1 24 ASN H 1 24 ASN HB3 3.340 . 3.340 2.994 2.356 3.425 0.085 6 0 "[ . 1]" 1
393 1 24 ASN HB2 1 25 ILE MG 5.350 . 5.350 4.556 3.815 4.983 . 0 0 "[ . 1]" 1
394 1 24 ASN HA 1 25 ILE HA 4.980 . 4.980 4.339 4.303 4.369 . 0 0 "[ . 1]" 1
395 1 24 ASN HB3 1 25 ILE H 3.910 . 3.910 3.278 2.056 3.955 0.045 8 0 "[ . 1]" 1
396 1 24 ASN HB2 1 25 ILE H 3.560 . 3.560 3.548 2.824 3.726 0.166 3 0 "[ . 1]" 1
397 1 24 ASN HA 1 26 VAL H 5.100 . 5.100 4.202 3.735 4.651 . 0 0 "[ . 1]" 1
398 1 25 ILE HG13 1 25 ILE MG 3.550 . 3.550 2.710 2.249 3.178 . 0 0 "[ . 1]" 1
399 1 25 ILE H 1 25 ILE HB 2.900 . 2.900 2.577 2.253 2.746 . 0 0 "[ . 1]" 1
400 1 25 ILE HA 1 25 ILE MD 4.130 . 4.130 2.823 1.912 3.620 . 0 0 "[ . 1]" 1
401 1 25 ILE HA 1 25 ILE MG 3.610 . 3.610 3.199 3.189 3.206 . 0 0 "[ . 1]" 1
402 1 25 ILE H 1 25 ILE MG 3.170 . 3.170 2.128 1.940 2.568 . 0 0 "[ . 1]" 1
403 1 25 ILE HA 1 25 ILE HG12 3.510 . 3.510 3.268 2.312 3.602 0.092 4 0 "[ . 1]" 1
404 1 25 ILE H 1 25 ILE HG13 4.540 . 4.540 4.479 4.345 4.565 0.025 8 0 "[ . 1]" 1
405 1 25 ILE HA 1 25 ILE HG13 3.990 . 3.990 2.817 2.292 3.585 . 0 0 "[ . 1]" 1
406 1 25 ILE HB 1 25 ILE MD 3.620 . 3.620 2.437 2.043 3.218 . 0 0 "[ . 1]" 1
407 1 25 ILE H 1 25 ILE MD 4.690 . 4.690 4.267 4.040 4.463 . 0 0 "[ . 1]" 1
408 1 25 ILE MG 1 26 VAL H 3.040 . 3.040 2.043 1.913 2.187 . 0 0 "[ . 1]" 1
409 1 25 ILE MG 1 26 VAL HB 4.930 . 4.930 4.195 4.019 4.307 . 0 0 "[ . 1]" 1
410 1 25 ILE HB 1 26 VAL H 3.890 . 3.890 3.883 3.770 3.949 0.059 6 0 "[ . 1]" 1
411 1 25 ILE MD 1 26 VAL H 4.980 . 4.980 4.501 3.601 4.999 0.019 6 0 "[ . 1]" 1
412 1 25 ILE HG13 1 26 VAL H 5.290 . 5.290 4.449 3.797 5.212 . 0 0 "[ . 1]" 1
413 1 25 ILE H 1 26 VAL H 3.960 . 3.960 2.480 2.222 2.928 . 0 0 "[ . 1]" 1
414 1 25 ILE H 1 28 ARG HB2 5.190 . 5.190 5.121 4.884 5.293 0.103 8 0 "[ . 1]" 1
415 1 25 ILE HA 1 28 ARG HB3 3.810 . 3.810 1.982 1.921 2.094 . 0 0 "[ . 1]" 1
416 1 25 ILE HA 1 28 ARG HB2 4.000 . 4.000 3.250 2.983 3.418 . 0 0 "[ . 1]" 1
417 1 25 ILE MD 1 29 LYS QE 4.580 . 4.580 3.191 1.785 4.483 0.015 2 0 "[ . 1]" 1
418 1 25 ILE MG 1 29 LYS QE 3.900 . 3.900 2.935 2.159 3.754 . 0 0 "[ . 1]" 1
419 1 25 ILE MD 1 29 LYS HA 5.090 . 5.090 3.673 2.786 4.870 . 0 0 "[ . 1]" 1
420 1 25 ILE HG13 1 29 LYS QE 3.660 . 3.660 3.443 1.983 3.690 0.030 2 0 "[ . 1]" 1
421 1 26 VAL HA 1 26 VAL MG1 2.990 . 2.990 2.222 2.203 2.262 . 0 0 "[ . 1]" 1
422 1 26 VAL H 1 26 VAL MG2 3.440 . 3.440 1.976 1.914 2.055 . 0 0 "[ . 1]" 1
423 1 26 VAL HA 1 26 VAL MG2 2.920 . 2.920 2.425 2.373 2.473 . 0 0 "[ . 1]" 1
424 1 26 VAL H 1 26 VAL HB 2.750 . 2.750 2.734 2.695 2.770 0.020 6 0 "[ . 1]" 1
425 1 26 VAL HB 1 27 LYS H 3.380 . 3.380 2.371 2.158 2.544 . 0 0 "[ . 1]" 1
426 1 26 VAL MG2 1 27 LYS H 4.220 . 4.220 3.645 3.539 3.718 . 0 0 "[ . 1]" 1
427 1 26 VAL H 1 27 LYS H 3.660 . 3.660 2.942 2.836 3.093 . 0 0 "[ . 1]" 1
428 1 26 VAL HA 1 28 ARG H 4.600 . 4.600 4.524 4.410 4.626 0.026 6 0 "[ . 1]" 1
429 1 26 VAL H 1 28 ARG HB3 4.840 . 4.840 4.782 4.343 4.900 0.060 7 0 "[ . 1]" 1
430 1 26 VAL HA 1 29 LYS QB 3.790 . 3.790 3.390 2.968 3.768 . 0 0 "[ . 1]" 1
431 1 26 VAL MG1 1 29 LYS QD 4.260 . 4.260 3.792 3.141 4.268 0.008 1 0 "[ . 1]" 1
432 1 26 VAL HA 1 29 LYS QD 4.330 . 4.330 2.463 1.870 3.511 . 0 0 "[ . 1]" 1
433 1 26 VAL MG1 1 29 LYS QE 4.510 . 4.510 4.185 3.222 4.529 0.019 6 0 "[ . 1]" 1
434 1 26 VAL HA 1 29 LYS HG2 5.010 . 5.010 4.615 3.753 5.017 0.007 7 0 "[ . 1]" 1
435 1 27 LYS H 1 28 ARG H 3.900 . 3.900 2.337 2.294 2.420 . 0 0 "[ . 1]" 1
436 1 27 LYS H 1 28 ARG HB3 4.580 . 4.580 4.508 4.080 4.626 0.046 6 0 "[ . 1]" 1
437 1 28 ARG HA 1 28 ARG HD3 4.240 . 4.240 4.200 3.269 4.367 0.127 2 0 "[ . 1]" 1
438 1 28 ARG H 1 28 ARG HB3 3.960 . 3.960 2.436 2.036 2.585 . 0 0 "[ . 1]" 1
439 1 28 ARG HA 1 28 ARG HD2 5.290 . 5.290 3.607 2.754 3.776 . 0 0 "[ . 1]" 1
440 1 28 ARG HB2 1 28 ARG HD3 3.980 . 3.980 3.848 2.292 4.151 0.171 7 0 "[ . 1]" 1
441 1 28 ARG HB3 1 29 LYS H 3.540 . 3.540 3.111 2.788 3.410 . 0 0 "[ . 1]" 1
442 1 28 ARG HD3 1 31 ALA MB 5.500 . 5.500 5.064 4.143 5.370 . 0 0 "[ . 1]" 1
443 1 28 ARG HA 1 31 ALA MB 4.220 . 4.220 2.018 1.961 2.133 . 0 0 "[ . 1]" 1
444 1 28 ARG HD2 1 31 ALA MB 5.020 . 5.020 4.789 3.255 5.050 0.030 7 0 "[ . 1]" 1
445 1 28 ARG HB3 1 31 ALA MB 4.780 . 4.780 4.693 4.436 4.786 0.006 3 0 "[ . 1]" 1
446 1 28 ARG HD3 1 32 ALA H 4.160 . 4.160 4.070 3.874 4.214 0.054 5 0 "[ . 1]" 1
447 1 28 ARG HD2 1 32 ALA H 4.440 . 4.440 3.738 2.778 4.071 . 0 0 "[ . 1]" 1
448 1 28 ARG HA 1 32 ALA MB 5.340 . 5.340 4.035 3.817 4.561 . 0 0 "[ . 1]" 1
449 1 28 ARG HD3 1 32 ALA MB 5.500 . 5.500 2.078 1.821 3.139 . 0 0 "[ . 1]" 1
450 1 29 LYS H 1 29 LYS HG2 4.180 . 4.180 4.136 3.704 4.251 0.071 9 0 "[ . 1]" 1
451 1 29 LYS HA 1 29 LYS HG3 3.610 . 3.610 2.390 2.135 2.959 . 0 0 "[ . 1]" 1
452 1 29 LYS H 1 29 LYS QD 4.230 . 4.230 3.161 2.564 4.277 0.047 3 0 "[ . 1]" 1
453 1 29 LYS QE 1 29 LYS HG3 3.480 . 3.480 2.711 2.185 3.475 . 0 0 "[ . 1]" 1
454 1 29 LYS QB 1 29 LYS HG2 2.740 . 2.740 2.209 2.136 2.445 . 0 0 "[ . 1]" 1
455 1 29 LYS QE 1 29 LYS HG2 3.680 . 3.680 2.498 2.133 2.758 . 0 0 "[ . 1]" 1
456 1 29 LYS H 1 29 LYS HG3 4.930 . 4.930 3.360 2.929 4.300 . 0 0 "[ . 1]" 1
457 1 29 LYS QB 1 29 LYS QD 2.810 . 2.810 2.125 1.941 2.269 . 0 0 "[ . 1]" 1
458 1 29 LYS HA 1 29 LYS QD 3.720 . 3.720 3.363 2.140 3.783 0.063 10 0 "[ . 1]" 1
459 1 29 LYS QD 1 29 LYS HG3 2.400 . 2.400 2.271 2.162 2.399 . 0 0 "[ . 1]" 1
460 1 29 LYS H 1 29 LYS QB 3.130 . 3.130 2.143 2.036 2.214 . 0 0 "[ . 1]" 1
461 1 29 LYS QB 1 30 LEU HA 4.940 . 4.940 3.932 3.812 4.018 . 0 0 "[ . 1]" 1
462 1 29 LYS HA 1 30 LEU HA 4.660 . 4.660 4.590 4.564 4.679 0.019 8 0 "[ . 1]" 1
463 1 29 LYS HA 1 30 LEU HG 5.100 . 5.100 4.759 4.525 5.110 0.010 9 0 "[ . 1]" 1
464 1 29 LYS H 1 30 LEU H 4.010 . 4.010 2.942 2.809 3.109 . 0 0 "[ . 1]" 1
465 1 29 LYS QB 1 30 LEU HB3 5.280 . 5.280 4.893 4.589 5.056 . 0 0 "[ . 1]" 1
466 1 29 LYS QB 1 30 LEU H 3.480 . 3.480 2.587 2.324 2.789 . 0 0 "[ . 1]" 1
467 1 29 LYS HA 1 32 ALA MB 3.720 . 3.720 3.499 2.872 3.733 0.013 9 0 "[ . 1]" 1
468 1 29 LYS QB 1 32 ALA MB 5.440 . 5.440 4.921 4.444 5.138 . 0 0 "[ . 1]" 1
469 1 29 LYS HA 1 32 ALA H 4.380 . 4.380 4.214 3.621 4.388 0.008 9 0 "[ . 1]" 1
470 1 29 LYS H 1 32 ALA H 4.610 . 4.610 4.657 4.620 4.699 0.089 3 0 "[ . 1]" 1
471 1 30 LEU H 1 30 LEU HB2 3.380 . 3.380 2.791 2.714 3.036 . 0 0 "[ . 1]" 1
472 1 30 LEU HA 1 30 LEU MD2 3.920 . 3.920 2.687 2.257 3.638 . 0 0 "[ . 1]" 1
473 1 30 LEU HA 1 30 LEU MD1 4.020 . 4.020 3.961 3.793 4.014 . 0 0 "[ . 1]" 1
474 1 30 LEU H 1 30 LEU MD2 5.390 . 5.390 3.514 2.613 3.905 . 0 0 "[ . 1]" 1
475 1 30 LEU HB2 1 30 LEU MD1 3.570 . 3.570 2.065 1.941 2.406 . 0 0 "[ . 1]" 1
476 1 30 LEU H 1 30 LEU HG 4.140 . 4.140 2.196 1.932 2.436 . 0 0 "[ . 1]" 1
477 1 30 LEU H 1 30 LEU HB3 3.670 . 3.670 3.669 3.599 3.715 0.045 4 0 "[ . 1]" 1
478 1 30 LEU H 1 30 LEU MD1 5.490 . 5.490 3.187 1.959 3.768 . 0 0 "[ . 1]" 1
479 1 30 LEU H 1 31 ALA MB 5.500 . 5.500 3.856 3.713 4.132 . 0 0 "[ . 1]" 1
480 1 30 LEU HB2 1 31 ALA H 4.230 . 4.230 3.042 2.467 3.311 . 0 0 "[ . 1]" 1
481 1 30 LEU H 1 31 ALA H 4.560 . 4.560 2.161 2.047 2.447 . 0 0 "[ . 1]" 1
482 1 30 LEU HB3 1 31 ALA H 5.240 . 5.240 4.160 3.768 4.330 . 0 0 "[ . 1]" 1
483 1 30 LEU H 1 32 ALA MB 4.910 . 4.910 4.688 4.355 4.841 . 0 0 "[ . 1]" 1
484 1 30 LEU H 1 58 ILE MD 5.330 . 5.330 5.378 5.363 5.403 0.073 2 0 "[ . 1]" 1
485 1 31 ALA H 1 31 ALA MB 3.070 . 3.070 2.258 2.206 2.311 . 0 0 "[ . 1]" 1
486 1 31 ALA HA 1 32 ALA H 3.520 . 3.520 3.419 3.400 3.474 . 0 0 "[ . 1]" 1
487 1 31 ALA H 1 32 ALA H 4.060 . 4.060 2.447 2.283 2.696 . 0 0 "[ . 1]" 1
488 1 31 ALA MB 1 32 ALA H 4.590 . 4.590 3.068 2.953 3.108 . 0 0 "[ . 1]" 1
489 1 32 ALA H 1 32 ALA MB 2.900 . 2.900 2.186 2.055 2.245 . 0 0 "[ . 1]" 1
490 1 32 ALA H 1 33 HIS H 3.430 . 3.430 2.909 2.865 2.957 . 0 0 "[ . 1]" 1
491 1 32 ALA MB 1 33 HIS H 3.740 . 3.740 2.477 2.402 2.605 . 0 0 "[ . 1]" 1
492 1 33 HIS H 1 33 HIS HB3 3.750 . 3.750 3.579 3.095 3.783 0.033 2 0 "[ . 1]" 1
493 1 33 HIS HA 1 33 HIS HD2 4.390 . 4.390 4.073 2.966 4.431 0.041 8 0 "[ . 1]" 1
494 1 33 HIS H 1 34 ASP H 3.890 . 3.890 2.361 2.128 2.911 . 0 0 "[ . 1]" 1
495 1 33 HIS HB2 1 34 ASP H 5.260 . 5.260 3.647 3.349 4.011 . 0 0 "[ . 1]" 1
496 1 33 HIS HB3 1 34 ASP H 4.180 . 4.180 3.616 2.322 4.086 . 0 0 "[ . 1]" 1
497 1 33 HIS HA 1 34 ASP H 3.520 . 3.520 3.533 3.520 3.549 0.029 5 0 "[ . 1]" 1
498 1 33 HIS HA 1 35 ASN H 4.800 . 4.800 4.829 4.822 4.847 0.047 8 0 "[ . 1]" 1
499 1 33 HIS H 1 36 LEU H 5.080 . 5.080 4.358 3.628 5.081 0.001 9 0 "[ . 1]" 1
500 1 33 HIS HA 1 36 LEU H 5.040 . 5.040 4.211 3.535 5.011 . 0 0 "[ . 1]" 1
501 1 34 ASP H 1 35 ASN H 4.060 . 4.060 2.961 2.806 3.054 . 0 0 "[ . 1]" 1
502 1 34 ASP H 1 35 ASN HA 5.360 . 5.360 5.388 5.283 5.459 0.099 3 0 "[ . 1]" 1
503 1 35 ASN H 1 35 ASN HA 2.810 . 2.810 2.922 2.908 2.928 0.118 9 0 "[ . 1]" 1
504 1 35 ASN H 1 35 ASN HB2 4.010 . 4.010 2.716 2.336 3.341 . 0 0 "[ . 1]" 1
505 1 35 ASN HB3 1 36 LEU H 4.770 . 4.770 4.398 4.312 4.517 . 0 0 "[ . 1]" 1
506 1 35 ASN HB2 1 36 LEU H 4.930 . 4.930 4.322 4.116 4.421 . 0 0 "[ . 1]" 1
507 1 35 ASN H 1 36 LEU H 4.200 . 4.200 3.218 2.664 3.647 . 0 0 "[ . 1]" 1
508 1 35 ASN HA 1 36 LEU H 3.480 . 3.480 2.604 2.326 2.898 . 0 0 "[ . 1]" 1
509 1 35 ASN HB3 1 54 ALA H 4.150 . 4.150 3.557 2.824 4.152 0.002 9 0 "[ . 1]" 1
510 1 35 ASN HB2 1 54 ALA H 4.200 . 4.200 4.157 3.717 4.211 0.011 1 0 "[ . 1]" 1
511 1 37 LYS QB 1 37 LYS QD 2.840 . 2.840 2.593 2.358 2.864 0.024 3 0 "[ . 1]" 1
512 1 37 LYS QB 1 37 LYS QE 3.800 . 3.800 2.527 1.946 3.811 0.011 10 0 "[ . 1]" 1
513 1 37 LYS HA 1 37 LYS QE 5.490 . 5.490 3.387 2.271 4.442 . 0 0 "[ . 1]" 1
514 1 37 LYS H 1 37 LYS QD 5.200 . 5.200 4.465 4.349 4.563 . 0 0 "[ . 1]" 1
515 1 37 LYS HA 1 37 LYS QD 3.960 . 3.960 2.306 1.919 2.863 . 0 0 "[ . 1]" 1
516 1 37 LYS QG 1 38 LEU H 4.550 . 4.550 3.583 3.352 3.933 . 0 0 "[ . 1]" 1
517 1 37 LYS QD 1 38 LEU H 4.850 . 4.850 2.366 2.077 2.745 . 0 0 "[ . 1]" 1
518 1 37 LYS H 1 38 LEU HB2 5.090 . 5.090 5.149 5.130 5.172 0.082 6 0 "[ . 1]" 1
519 1 37 LYS QB 1 38 LEU HB2 5.500 . 5.500 5.504 5.403 5.555 0.055 6 0 "[ . 1]" 1
520 1 37 LYS QB 1 38 LEU H 3.770 . 3.770 3.770 3.697 3.813 0.043 3 0 "[ . 1]" 1
521 1 37 LYS HA 1 38 LEU H 2.870 . 2.870 2.084 2.069 2.103 . 0 0 "[ . 1]" 1
522 1 37 LYS HA 1 38 LEU HB3 4.840 . 4.840 4.871 4.847 4.891 0.051 7 0 "[ . 1]" 1
523 1 37 LYS QD 1 39 THR H 4.240 . 4.240 4.246 4.165 4.270 0.030 1 0 "[ . 1]" 1
524 1 38 LEU H 1 38 LEU HB2 3.660 . 3.660 2.503 2.442 2.565 . 0 0 "[ . 1]" 1
525 1 38 LEU H 1 38 LEU MD1 5.240 . 5.240 3.959 3.888 4.003 . 0 0 "[ . 1]" 1
526 1 38 LEU H 1 38 LEU HB3 3.890 . 3.890 2.827 2.781 2.871 . 0 0 "[ . 1]" 1
527 1 38 LEU HA 1 38 LEU MD1 3.720 . 3.720 1.856 1.818 1.894 . 0 0 "[ . 1]" 1
528 1 38 LEU HB3 1 39 THR H 4.810 . 4.810 4.043 3.890 4.186 . 0 0 "[ . 1]" 1
529 1 38 LEU HA 1 39 THR H 3.040 . 3.040 2.203 2.179 2.239 . 0 0 "[ . 1]" 1
530 1 38 LEU MD1 1 39 THR H 4.790 . 4.790 2.641 2.256 2.983 . 0 0 "[ . 1]" 1
531 1 38 LEU HB3 1 40 ILE MD 5.330 . 5.330 4.318 3.133 4.891 . 0 0 "[ . 1]" 1
532 1 38 LEU MD2 1 40 ILE QG 5.500 . 5.500 5.039 4.577 5.515 0.015 6 0 "[ . 1]" 1
533 1 38 LEU MD2 1 40 ILE MD 5.080 . 5.080 4.508 3.712 5.080 0.000 7 0 "[ . 1]" 1
534 1 38 LEU HB3 1 40 ILE QG 5.060 . 5.060 4.588 4.296 5.008 . 0 0 "[ . 1]" 1
535 1 38 LEU MD1 1 51 GLU QB 4.480 . 4.480 3.797 2.971 4.227 . 0 0 "[ . 1]" 1
536 1 38 LEU HA 1 51 GLU HA 4.020 . 4.020 3.144 2.884 3.365 . 0 0 "[ . 1]" 1
537 1 38 LEU MD1 1 51 GLU HA 4.170 . 4.170 3.604 3.222 3.833 . 0 0 "[ . 1]" 1
538 1 38 LEU MD1 1 51 GLU QG 5.090 . 5.090 2.466 1.792 3.697 0.008 9 0 "[ . 1]" 1
539 1 38 LEU H 1 52 SER H 5.050 . 5.050 4.975 4.811 5.068 0.018 10 0 "[ . 1]" 1
540 1 38 LEU MD1 1 52 SER H 5.180 . 5.180 4.973 4.687 5.181 0.001 7 0 "[ . 1]" 1
541 1 38 LEU MD2 1 128 PHE HD1 5.350 . 5.350 4.839 4.737 4.995 . 0 0 "[ . 1]" 1
542 1 38 LEU HB2 1 128 PHE HD1 5.340 . 5.340 5.003 4.793 5.108 . 0 0 "[ . 1]" 1
543 1 38 LEU HB3 1 128 PHE QE 4.060 . 4.060 4.093 4.068 4.116 0.056 3 0 "[ . 1]" 1
544 1 39 THR H 1 39 THR MG 4.420 . 4.420 3.861 3.820 3.893 . 0 0 "[ . 1]" 1
545 1 39 THR HA 1 39 THR MG 3.290 . 3.290 2.384 2.302 2.448 . 0 0 "[ . 1]" 1
546 1 39 THR H 1 39 THR HB 3.480 . 3.480 2.651 2.546 2.821 . 0 0 "[ . 1]" 1
547 1 39 THR MG 1 40 ILE HA 5.470 . 5.470 3.637 3.474 3.914 . 0 0 "[ . 1]" 1
548 1 39 THR MG 1 40 ILE H 4.150 . 4.150 2.100 1.924 2.378 . 0 0 "[ . 1]" 1
549 1 39 THR HA 1 40 ILE H 3.210 . 3.210 2.278 2.193 2.366 . 0 0 "[ . 1]" 1
550 1 39 THR MG 1 40 ILE HB 5.500 . 5.500 4.393 4.225 4.728 . 0 0 "[ . 1]" 1
551 1 39 THR MG 1 50 LYS HB3 4.100 . 4.100 2.861 2.397 3.231 . 0 0 "[ . 1]" 1
552 1 39 THR H 1 50 LYS HB3 4.710 . 4.710 4.416 4.091 4.709 . 0 0 "[ . 1]" 1
553 1 39 THR HB 1 50 LYS HB3 3.560 . 3.560 2.419 1.913 2.641 . 0 0 "[ . 1]" 1
554 1 39 THR HB 1 50 LYS HB2 3.220 . 3.220 2.355 1.989 3.241 0.021 1 0 "[ . 1]" 1
555 1 40 ILE MD 1 40 ILE MG 3.560 . 3.560 2.120 1.873 2.311 . 0 0 "[ . 1]" 1
556 1 40 ILE HA 1 40 ILE MG 3.580 . 3.580 2.296 2.185 2.408 . 0 0 "[ . 1]" 1
557 1 40 ILE H 1 40 ILE HB 4.120 . 4.120 2.863 2.667 3.165 . 0 0 "[ . 1]" 1
558 1 40 ILE H 1 40 ILE QG 4.420 . 4.420 2.653 2.196 2.837 . 0 0 "[ . 1]" 1
559 1 40 ILE MD 1 41 THR H 5.410 . 5.410 4.838 4.061 5.335 . 0 0 "[ . 1]" 1
560 1 40 ILE HA 1 41 THR HB 5.110 . 5.110 4.872 4.539 5.057 . 0 0 "[ . 1]" 1
561 1 40 ILE HA 1 41 THR H 3.060 . 3.060 2.184 2.135 2.253 . 0 0 "[ . 1]" 1
562 1 40 ILE MG 1 41 THR H 3.890 . 3.890 2.404 2.124 2.711 . 0 0 "[ . 1]" 1
563 1 40 ILE MG 1 47 PHE HB2 4.670 . 4.670 4.178 3.757 4.430 . 0 0 "[ . 1]" 1
564 1 40 ILE MG 1 47 PHE QD 3.540 . 3.540 3.268 2.448 3.572 0.032 8 0 "[ . 1]" 1
565 1 40 ILE MG 1 47 PHE HB3 4.130 . 4.130 2.939 2.535 3.066 . 0 0 "[ . 1]" 1
566 1 40 ILE HA 1 48 THR HB 5.090 . 5.090 5.060 4.842 5.124 0.034 1 0 "[ . 1]" 1
567 1 40 ILE MG 1 48 THR H 4.890 . 4.890 4.032 3.702 4.527 . 0 0 "[ . 1]" 1
568 1 41 THR H 1 41 THR HB 3.790 . 3.790 3.001 2.797 3.767 . 0 0 "[ . 1]" 1
569 1 41 THR HA 1 41 THR MG 3.450 . 3.450 2.293 2.073 3.119 . 0 0 "[ . 1]" 1
570 1 41 THR H 1 41 THR MG 4.410 . 4.410 3.767 2.254 3.979 . 0 0 "[ . 1]" 1
571 1 41 THR HA 1 42 GLN H 3.400 . 3.400 2.414 2.300 2.689 . 0 0 "[ . 1]" 1
572 1 41 THR MG 1 42 GLN H 4.460 . 4.460 2.420 1.917 4.137 . 0 0 "[ . 1]" 1
573 1 41 THR MG 1 43 GLU QG 3.930 . 3.930 3.248 2.461 3.937 0.007 6 0 "[ . 1]" 1
574 1 41 THR MG 1 48 THR HB 4.390 . 4.390 2.971 1.832 3.377 . 0 0 "[ . 1]" 1
575 1 41 THR H 1 48 THR H 4.240 . 4.240 2.603 2.289 2.987 . 0 0 "[ . 1]" 1
576 1 41 THR H 1 48 THR HB 4.570 . 4.570 3.729 3.353 4.262 . 0 0 "[ . 1]" 1
577 1 43 GLU H 1 43 GLU QG 4.120 . 4.120 3.564 2.627 4.136 0.016 6 0 "[ . 1]" 1
578 1 43 GLU HB3 1 43 GLU QG 2.790 . 2.790 2.372 2.293 2.522 . 0 0 "[ . 1]" 1
579 1 43 GLU HA 1 43 GLU QG 3.740 . 3.740 2.644 2.122 3.192 . 0 0 "[ . 1]" 1
580 1 43 GLU HA 1 44 GLY H 2.790 . 2.790 2.293 2.192 2.743 . 0 0 "[ . 1]" 1
581 1 43 GLU HA 1 44 GLY HA2 4.570 . 4.570 4.470 4.412 4.646 0.076 6 0 "[ . 1]" 1
582 1 43 GLU HB3 1 44 GLY H 3.970 . 3.970 4.033 4.008 4.151 0.181 6 0 "[ . 1]" 1
583 1 43 GLU HB2 1 46 LYS HG3 4.130 . 4.130 3.231 2.450 4.188 0.058 2 0 "[ . 1]" 1
584 1 43 GLU HB3 1 46 LYS QD 3.800 . 3.800 3.677 3.053 3.820 0.020 7 0 "[ . 1]" 1
585 1 43 GLU QG 1 46 LYS HG3 4.460 . 4.460 4.413 4.099 4.553 0.093 2 0 "[ . 1]" 1
586 1 44 GLY HA2 1 45 ASN H 3.280 . 3.280 3.134 3.040 3.245 . 0 0 "[ . 1]" 1
587 1 44 GLY HA3 1 45 ASN H 3.780 2.300 3.780 2.217 2.190 2.247 0.110 6 0 "[ . 1]" 1
588 1 44 GLY HA2 1 46 LYS H 4.140 . 4.140 4.206 4.180 4.240 0.100 2 0 "[ . 1]" 1
589 1 44 GLY HA3 1 46 LYS H 4.870 . 4.870 3.266 3.144 3.403 . 0 0 "[ . 1]" 1
590 1 45 ASN H 1 45 ASN HB3 3.550 . 3.550 3.108 2.971 3.486 . 0 0 "[ . 1]" 1
591 1 45 ASN H 1 45 ASN HB2 3.890 . 3.890 3.526 3.327 3.597 . 0 0 "[ . 1]" 1
592 1 45 ASN HB2 1 46 LYS H 4.810 . 4.810 4.164 4.040 4.322 . 0 0 "[ . 1]" 1
593 1 45 ASN H 1 46 LYS HB3 4.410 . 4.410 4.158 3.882 4.432 0.022 6 0 "[ . 1]" 1
594 1 45 ASN H 1 46 LYS H 3.250 . 3.250 2.598 2.543 2.649 . 0 0 "[ . 1]" 1
595 1 45 ASN HB3 1 46 LYS H 4.550 . 4.550 4.577 4.538 4.643 0.093 5 0 "[ . 1]" 1
596 1 45 ASN HB3 1 63 GLU QG 5.270 . 5.270 4.488 3.968 5.106 . 0 0 "[ . 1]" 1
597 1 45 ASN HB2 1 63 GLU QG 4.630 . 4.630 3.023 2.431 3.638 . 0 0 "[ . 1]" 1
598 1 45 ASN H 1 63 GLU QG 5.500 . 5.500 4.405 3.943 4.863 . 0 0 "[ . 1]" 1
599 1 45 ASN HB3 1 64 LEU MD1 4.960 . 4.960 4.284 3.782 4.725 . 0 0 "[ . 1]" 1
600 1 45 ASN HB2 1 64 LEU HB3 5.170 . 5.170 5.067 4.708 5.198 0.028 2 0 "[ . 1]" 1
601 1 45 ASN HB2 1 64 LEU HG 4.740 . 4.740 3.903 3.661 4.175 . 0 0 "[ . 1]" 1
602 1 45 ASN HB3 1 64 LEU HG 5.150 . 5.150 4.899 4.436 5.120 . 0 0 "[ . 1]" 1
603 1 45 ASN HB2 1 64 LEU HB2 5.040 . 5.040 3.325 2.957 3.458 . 0 0 "[ . 1]" 1
604 1 45 ASN HB2 1 64 LEU MD1 4.340 . 4.340 4.042 3.788 4.233 . 0 0 "[ . 1]" 1
605 1 45 ASN HB2 1 64 LEU H 4.070 . 4.070 3.529 3.417 3.813 . 0 0 "[ . 1]" 1
606 1 45 ASN HA 1 64 LEU MD1 3.830 . 3.830 3.565 3.319 3.764 . 0 0 "[ . 1]" 1
607 1 45 ASN HA 1 64 LEU H 4.950 . 4.950 4.553 4.074 4.890 . 0 0 "[ . 1]" 1
608 1 45 ASN HA 1 64 LEU HG 4.440 . 4.440 3.818 3.539 4.289 . 0 0 "[ . 1]" 1
609 1 45 ASN HB3 1 64 LEU H 5.030 . 5.030 5.080 5.048 5.103 0.073 7 0 "[ . 1]" 1
610 1 46 LYS H 1 46 LYS HG2 5.040 . 5.040 3.543 2.678 4.500 . 0 0 "[ . 1]" 1
611 1 46 LYS H 1 46 LYS HB3 3.300 . 3.300 2.652 2.396 2.884 . 0 0 "[ . 1]" 1
612 1 46 LYS HB2 1 46 LYS QE 3.700 . 3.700 2.930 1.857 3.824 0.124 6 0 "[ . 1]" 1
613 1 46 LYS H 1 46 LYS HG3 5.010 . 5.010 3.663 2.860 4.496 . 0 0 "[ . 1]" 1
614 1 46 LYS H 1 46 LYS QD 5.220 . 5.220 4.147 2.831 4.845 . 0 0 "[ . 1]" 1
615 1 46 LYS H 1 46 LYS HB2 3.950 2.320 3.950 3.763 3.548 3.884 . 0 0 "[ . 1]" 1
616 1 46 LYS QD 1 46 LYS HG2 2.740 . 2.740 2.393 2.170 2.527 . 0 0 "[ . 1]" 1
617 1 46 LYS HB2 1 46 LYS QD 3.680 . 3.680 2.564 2.116 3.331 . 0 0 "[ . 1]" 1
618 1 46 LYS HB3 1 46 LYS QE 4.610 . 4.610 3.350 2.372 3.995 . 0 0 "[ . 1]" 1
619 1 46 LYS HB3 1 47 PHE H 5.100 . 5.100 4.202 3.962 4.363 . 0 0 "[ . 1]" 1
620 1 46 LYS HG2 1 47 PHE H 4.920 . 4.920 4.221 2.886 4.928 0.008 1 0 "[ . 1]" 1
621 1 46 LYS HG3 1 47 PHE H 4.900 . 4.900 3.540 2.422 4.460 . 0 0 "[ . 1]" 1
622 1 46 LYS HA 1 47 PHE QD 4.840 . 4.840 4.032 3.573 4.522 . 0 0 "[ . 1]" 1
623 1 46 LYS QD 1 61 VAL HA 5.350 . 5.350 4.625 3.649 5.405 0.055 6 0 "[ . 1]" 1
624 1 46 LYS HG2 1 61 VAL MG2 4.030 . 4.030 3.717 3.178 4.081 0.051 8 0 "[ . 1]" 1
625 1 46 LYS QE 1 61 VAL MG1 4.820 . 4.820 2.751 1.776 4.587 0.024 10 0 "[ . 1]" 1
626 1 46 LYS QD 1 61 VAL MG2 3.420 . 3.420 2.409 1.788 3.438 0.018 2 0 "[ . 1]" 1
627 1 46 LYS QE 1 61 VAL MG2 3.180 . 3.180 2.496 1.763 3.225 0.045 7 0 "[ . 1]" 1
628 1 46 LYS QD 1 62 PHE H 5.020 . 5.020 3.653 2.341 5.044 0.024 10 0 "[ . 1]" 1
629 1 46 LYS HG3 1 62 PHE H 5.140 . 5.140 4.266 3.204 5.211 0.071 1 0 "[ . 1]" 1
630 1 46 LYS HB2 1 62 PHE H 4.240 . 4.240 4.138 3.647 4.386 0.146 2 0 "[ . 1]" 1
631 1 46 LYS HG2 1 62 PHE H 5.270 . 5.270 4.984 2.934 5.371 0.101 6 0 "[ . 1]" 1
632 1 46 LYS HG3 1 63 GLU HA 5.480 . 5.480 4.688 4.025 5.313 . 0 0 "[ . 1]" 1
633 1 46 LYS QE 1 63 GLU QG 4.740 . 4.740 4.225 3.042 4.939 0.199 2 0 "[ . 1]" 1
634 1 46 LYS HG2 1 63 GLU QG 4.250 . 4.250 4.214 3.947 4.346 0.096 3 0 "[ . 1]" 1
635 1 46 LYS HG3 1 63 GLU QG 4.920 . 4.920 4.458 4.096 4.744 . 0 0 "[ . 1]" 1
636 1 46 LYS HB3 1 63 GLU QG 4.780 . 4.780 2.158 1.874 2.498 . 0 0 "[ . 1]" 1
637 1 46 LYS HB2 1 63 GLU HA 3.750 . 3.750 2.540 1.983 3.020 . 0 0 "[ . 1]" 1
638 1 46 LYS HA 1 63 GLU HA 3.410 . 3.410 1.787 1.750 1.865 0.050 3 0 "[ . 1]" 1
639 1 46 LYS HB2 1 63 GLU QG 3.130 . 3.130 2.409 1.985 2.984 . 0 0 "[ . 1]" 1
640 1 47 PHE H 1 47 PHE QD 5.500 . 5.500 3.281 2.977 3.775 . 0 0 "[ . 1]" 1
641 1 47 PHE HB2 1 48 THR H 4.080 . 4.080 3.875 3.474 4.116 0.036 1 0 "[ . 1]" 1
642 1 47 PHE HA 1 48 THR H 3.000 . 3.000 2.316 2.175 2.529 . 0 0 "[ . 1]" 1
643 1 47 PHE HB3 1 62 PHE H 4.730 . 4.730 4.806 4.731 4.868 0.138 6 0 "[ . 1]" 1
644 1 47 PHE H 1 63 GLU HA 4.560 . 4.560 2.947 2.699 3.239 . 0 0 "[ . 1]" 1
645 1 47 PHE QD 1 64 LEU HG 4.660 . 4.660 4.574 4.260 4.741 0.081 1 0 "[ . 1]" 1
646 1 47 PHE H 1 64 LEU HG 4.980 . 4.980 4.938 4.186 5.081 0.101 10 0 "[ . 1]" 1
647 1 47 PHE QE 1 64 LEU MD1 4.060 . 4.060 3.339 2.643 3.888 . 0 0 "[ . 1]" 1
648 1 47 PHE QE 1 64 LEU MD2 . . 4.630 2.769 1.792 4.098 0.008 7 0 "[ . 1]" 1
649 1 47 PHE QE 1 64 LEU HG 4.810 . 4.810 4.071 3.484 4.650 . 0 0 "[ . 1]" 1
650 1 48 THR HA 1 48 THR MG 3.360 . 3.360 2.130 1.980 2.212 . 0 0 "[ . 1]" 1
651 1 48 THR H 1 48 THR MG 4.330 . 4.330 3.802 3.584 3.942 . 0 0 "[ . 1]" 1
652 1 48 THR H 1 48 THR HB 3.520 . 3.520 2.997 2.854 3.340 . 0 0 "[ . 1]" 1
653 1 48 THR HA 1 49 VAL H 3.200 . 3.200 2.155 2.131 2.215 . 0 0 "[ . 1]" 1
654 1 48 THR HB 1 49 VAL H 4.820 . 4.820 3.920 3.702 4.118 . 0 0 "[ . 1]" 1
655 1 48 THR HB 1 50 LYS H 5.200 . 5.200 5.101 4.784 5.215 0.015 6 0 "[ . 1]" 1
656 1 48 THR HA 1 61 VAL MG1 4.340 . 4.340 4.237 3.803 4.448 0.108 4 0 "[ . 1]" 1
657 1 48 THR MG 1 61 VAL HB 5.040 . 5.040 3.339 2.095 5.006 . 0 0 "[ . 1]" 1
658 1 48 THR HA 1 61 VAL MG2 4.520 . 4.520 2.853 2.351 3.997 . 0 0 "[ . 1]" 1
659 1 48 THR MG 1 61 VAL HA 4.760 . 4.760 3.001 2.083 3.488 . 0 0 "[ . 1]" 1
660 1 48 THR HA 1 61 VAL HA 3.980 . 3.980 2.221 1.822 2.813 . 0 0 "[ . 1]" 1
661 1 48 THR MG 1 62 PHE H 5.030 . 5.030 4.414 3.869 4.883 . 0 0 "[ . 1]" 1
662 1 48 THR HA 1 62 PHE H 4.230 . 4.230 3.164 2.716 3.704 . 0 0 "[ . 1]" 1
663 1 49 VAL H 1 49 VAL MG2 4.270 . 4.270 2.135 1.892 2.604 . 0 0 "[ . 1]" 1
664 1 49 VAL H 1 49 VAL HB 3.870 . 3.870 2.991 2.628 3.647 . 0 0 "[ . 1]" 1
665 1 49 VAL HA 1 49 VAL MG2 3.700 . 3.700 2.721 2.450 3.165 . 0 0 "[ . 1]" 1
666 1 49 VAL HA 1 50 LYS H 3.130 . 3.130 2.128 2.114 2.138 . 0 0 "[ . 1]" 1
667 1 49 VAL HA 1 50 LYS HB3 5.500 . 5.500 5.246 4.688 5.484 . 0 0 "[ . 1]" 1
668 1 49 VAL MG2 1 59 GLU HA 4.990 . 4.990 4.894 3.939 5.060 0.070 5 0 "[ . 1]" 1
669 1 49 VAL HB 1 59 GLU HA 4.510 . 4.510 3.954 3.547 4.519 0.009 2 0 "[ . 1]" 1
670 1 49 VAL H 1 60 VAL QG 4.990 . 4.990 3.655 3.306 4.011 . 0 0 "[ . 1]" 1
671 1 49 VAL HB 1 60 VAL QG 5.030 . 5.030 2.393 1.823 3.473 . 0 0 "[ . 1]" 1
672 1 49 VAL MG2 1 60 VAL HA 5.500 . 5.500 4.553 3.713 4.880 . 0 0 "[ . 1]" 1
673 1 49 VAL MG2 1 60 VAL QG 3.700 . 3.700 2.030 1.748 2.362 0.052 6 0 "[ . 1]" 1
674 1 49 VAL H 1 61 VAL HA 4.710 . 4.710 2.567 2.111 3.220 . 0 0 "[ . 1]" 1
675 1 50 LYS H 1 50 LYS HB3 3.730 . 3.730 3.186 2.596 3.439 . 0 0 "[ . 1]" 1
676 1 50 LYS H 1 50 LYS HG3 4.410 . 4.410 4.173 3.787 4.442 0.032 1 0 "[ . 1]" 1
677 1 50 LYS HA 1 50 LYS HG2 3.960 . 3.960 2.719 2.113 3.771 . 0 0 "[ . 1]" 1
678 1 50 LYS H 1 50 LYS HG2 4.770 . 4.770 4.606 4.214 4.755 . 0 0 "[ . 1]" 1
679 1 50 LYS HB3 1 50 LYS QD 3.760 . 3.760 2.519 2.159 3.283 . 0 0 "[ . 1]" 1
680 1 50 LYS H 1 50 LYS HB2 3.480 . 3.480 2.500 2.234 2.861 . 0 0 "[ . 1]" 1
681 1 50 LYS HA 1 51 GLU H 3.010 . 3.010 2.149 2.141 2.158 . 0 0 "[ . 1]" 1
682 1 50 LYS QD 1 51 GLU H 5.490 . 5.490 4.928 3.166 5.446 . 0 0 "[ . 1]" 1
683 1 50 LYS HB3 1 51 GLU H 4.810 . 4.810 3.930 3.655 4.326 . 0 0 "[ . 1]" 1
684 1 50 LYS HA 1 60 VAL H 4.980 . 4.980 3.697 3.207 4.233 . 0 0 "[ . 1]" 1
685 1 51 GLU H 1 51 GLU QB 3.630 . 3.630 2.288 2.173 2.649 . 0 0 "[ . 1]" 1
686 1 51 GLU H 1 51 GLU QG 5.140 . 5.140 3.517 2.375 3.931 . 0 0 "[ . 1]" 1
687 1 51 GLU HA 1 52 SER H 3.260 . 3.260 2.173 2.128 2.272 . 0 0 "[ . 1]" 1
688 1 51 GLU QB 1 52 SER H 4.780 . 4.780 3.369 2.965 3.852 . 0 0 "[ . 1]" 1
689 1 51 GLU QB 1 58 ILE H 4.860 . 4.860 3.069 2.114 4.211 . 0 0 "[ . 1]" 1
690 1 51 GLU QB 1 58 ILE QG 4.500 . 4.500 3.285 2.732 3.870 . 0 0 "[ . 1]" 1
691 1 51 GLU QB 1 58 ILE MG 4.640 . 4.640 2.774 1.901 3.384 . 0 0 "[ . 1]" 1
692 1 51 GLU H 1 58 ILE MG 5.500 . 5.500 4.231 3.422 4.975 . 0 0 "[ . 1]" 1
693 1 51 GLU QB 1 58 ILE MD 4.840 . 4.840 2.680 1.931 3.265 . 0 0 "[ . 1]" 1
694 1 51 GLU H 1 58 ILE QG 5.350 . 5.350 5.328 5.085 5.376 0.026 5 0 "[ . 1]" 1
695 1 51 GLU H 1 58 ILE H 4.640 . 4.640 3.944 3.676 4.421 . 0 0 "[ . 1]" 1
696 1 51 GLU QB 1 58 ILE HB 4.210 . 4.210 1.842 1.797 1.889 0.003 7 0 "[ . 1]" 1
697 1 51 GLU H 1 60 VAL H 5.030 . 5.030 4.455 4.108 4.692 . 0 0 "[ . 1]" 1
698 1 54 ALA H 1 54 ALA MB 3.510 . 3.510 2.313 2.108 2.717 . 0 0 "[ . 1]" 1
699 1 54 ALA MB 1 55 PHE H 4.780 . 4.780 2.380 1.881 3.513 . 0 0 "[ . 1]" 1
700 1 54 ALA H 1 55 PHE H 4.200 . 4.200 3.024 2.116 4.216 0.016 9 0 "[ . 1]" 1
701 1 57 ASN H 1 57 ASN QB 3.500 . 3.500 2.748 2.247 3.199 . 0 0 "[ . 1]" 1
702 1 57 ASN QB 1 58 ILE H 3.930 . 3.930 3.183 2.594 3.654 . 0 0 "[ . 1]" 1
703 1 57 ASN HA 1 58 ILE H 3.080 . 3.080 2.211 2.142 2.358 . 0 0 "[ . 1]" 1
704 1 58 ILE HB 1 58 ILE MD 3.520 . 3.520 2.278 2.130 2.371 . 0 0 "[ . 1]" 1
705 1 58 ILE H 1 58 ILE QG 4.480 . 4.480 2.713 2.572 3.188 . 0 0 "[ . 1]" 1
706 1 58 ILE HA 1 58 ILE MG 3.500 . 3.500 2.187 2.071 2.340 . 0 0 "[ . 1]" 1
707 1 58 ILE H 1 58 ILE MG 4.160 . 4.160 3.983 3.900 4.027 . 0 0 "[ . 1]" 1
708 1 58 ILE H 1 58 ILE MD 5.030 . 5.030 3.814 2.534 4.324 . 0 0 "[ . 1]" 1
709 1 58 ILE QG 1 59 GLU H 4.330 . 4.330 4.200 4.108 4.332 0.002 4 0 "[ . 1]" 1
710 1 58 ILE H 1 59 GLU QB 4.600 . 4.600 4.414 4.215 4.617 0.017 6 0 "[ . 1]" 1
711 1 58 ILE HA 1 59 GLU H 2.980 . 2.980 2.327 2.240 2.403 . 0 0 "[ . 1]" 1
712 1 58 ILE MD 1 59 GLU H 4.850 . 4.850 4.829 4.680 4.881 0.031 2 0 "[ . 1]" 1
713 1 58 ILE MG 1 59 GLU H 4.090 . 4.090 2.057 1.913 2.209 . 0 0 "[ . 1]" 1
714 1 58 ILE H 1 59 GLU H 5.000 . 5.000 4.406 4.322 4.506 . 0 0 "[ . 1]" 1
715 1 58 ILE HA 1 59 GLU HA 4.490 . 4.490 4.528 4.491 4.556 0.066 10 0 "[ . 1]" 1
716 1 59 GLU H 1 59 GLU QG 4.120 . 4.120 3.410 2.511 4.180 0.060 5 0 "[ . 1]" 1
717 1 59 GLU HA 1 59 GLU QG 3.820 . 3.820 2.912 2.419 3.344 . 0 0 "[ . 1]" 1
718 1 59 GLU HG3 1 60 VAL H 4.640 . 4.640 3.146 1.999 4.473 . 0 0 "[ . 1]" 1
719 1 59 GLU QB 1 60 VAL H 3.760 . 3.760 2.868 2.119 3.564 . 0 0 "[ . 1]" 1
720 1 60 VAL H 1 60 VAL QG 3.690 . 3.690 2.631 2.412 3.199 . 0 0 "[ . 1]" 1
721 1 60 VAL HB 1 61 VAL H 4.910 . 4.910 4.015 3.695 4.503 . 0 0 "[ . 1]" 1
722 1 60 VAL H 1 61 VAL H 5.120 . 5.120 4.023 3.514 4.353 . 0 0 "[ . 1]" 1
723 1 60 VAL QG 1 61 VAL H 3.680 . 3.680 2.648 1.795 3.641 0.005 6 0 "[ . 1]" 1
724 1 60 VAL QG 1 62 PHE QD 3.730 . 3.730 3.178 2.494 3.807 0.077 4 0 "[ . 1]" 1
725 1 60 VAL QG 1 62 PHE HD1 4.370 . 4.370 3.994 2.506 4.799 0.429 6 0 "[ . 1]" 1
726 1 60 VAL QG 1 62 PHE QB 4.500 . 4.500 4.126 3.384 4.587 0.087 7 0 "[ . 1]" 1
727 1 60 VAL QG 1 62 PHE HD2 4.690 . 4.690 3.745 2.576 4.699 0.009 1 0 "[ . 1]" 1
728 1 60 VAL QG 1 62 PHE HE1 5.330 . 5.330 3.541 1.734 5.038 0.066 10 0 "[ . 1]" 1
729 1 60 VAL QG 1 62 PHE H 5.500 . 5.500 4.536 4.128 5.324 . 0 0 "[ . 1]" 1
730 1 60 VAL QG 1 68 PHE QE 3.650 . 3.650 2.995 1.737 3.876 0.226 5 0 "[ . 1]" 1
731 1 60 VAL QG 1 68 PHE HE2 4.390 . 4.390 4.172 3.700 4.632 0.242 9 0 "[ . 1]" 1
732 1 60 VAL QG 1 68 PHE HE1 4.620 . 4.620 3.277 1.740 4.647 0.060 8 0 "[ . 1]" 1
733 1 60 VAL QG 1 68 PHE HD1 5.070 . 5.070 3.964 2.924 5.123 0.053 3 0 "[ . 1]" 1
734 1 61 VAL H 1 61 VAL MG1 3.690 . 3.690 2.661 1.760 3.656 0.040 4 0 "[ . 1]" 1
735 1 61 VAL HA 1 61 VAL MG1 3.480 . 3.480 2.968 2.623 3.201 . 0 0 "[ . 1]" 1
736 1 61 VAL H 1 61 VAL MG2 4.470 . 4.470 3.458 3.004 3.923 . 0 0 "[ . 1]" 1
737 1 61 VAL H 1 61 VAL HB 3.160 . 3.160 2.664 2.159 3.305 0.145 4 0 "[ . 1]" 1
738 1 61 VAL HA 1 61 VAL MG2 3.400 . 3.400 2.321 2.040 2.887 . 0 0 "[ . 1]" 1
739 1 61 VAL MG2 1 62 PHE H 3.490 . 3.490 2.568 1.913 3.504 0.014 2 0 "[ . 1]" 1
740 1 61 VAL HA 1 62 PHE H 2.730 . 2.730 2.310 2.204 2.391 . 0 0 "[ . 1]" 1
741 1 61 VAL MG1 1 62 PHE H 4.280 . 4.280 3.130 2.025 4.215 . 0 0 "[ . 1]" 1
742 1 61 VAL HB 1 62 PHE H 4.140 . 4.140 3.938 3.163 4.228 0.088 10 0 "[ . 1]" 1
743 1 62 PHE HA 1 62 PHE HD2 4.720 . 4.720 4.508 4.334 4.727 0.007 2 0 "[ . 1]" 1
744 1 62 PHE HA 1 62 PHE HD1 5.010 . 5.010 2.378 1.933 3.722 . 0 0 "[ . 1]" 1
745 1 62 PHE QB 1 63 GLU H 4.160 . 4.160 2.657 2.281 3.130 . 0 0 "[ . 1]" 1
746 1 62 PHE HA 1 63 GLU HB3 4.580 . 4.580 4.688 4.610 4.764 0.184 10 0 "[ . 1]" 1
747 1 62 PHE HA 1 63 GLU H 3.560 . 3.560 2.259 2.041 2.392 . 0 0 "[ . 1]" 1
748 1 62 PHE QD 1 82 TRP QB 4.710 . 4.710 3.479 2.493 4.080 . 0 0 "[ . 1]" 1
749 1 62 PHE HA 1 82 TRP HE3 5.500 . 5.500 5.304 4.401 5.532 0.032 7 0 "[ . 1]" 1
750 1 62 PHE HD1 1 82 TRP QB 5.140 . 5.140 3.979 2.498 4.789 . 0 0 "[ . 1]" 1
751 1 62 PHE HD2 1 82 TRP QB 5.130 . 5.130 4.428 3.092 5.117 . 0 0 "[ . 1]" 1
752 1 63 GLU HB2 1 63 GLU QG 2.630 . 2.630 2.230 2.122 2.336 . 0 0 "[ . 1]" 1
753 1 63 GLU H 1 63 GLU HB3 3.770 . 3.770 2.920 2.666 3.113 . 0 0 "[ . 1]" 1
754 1 63 GLU HA 1 63 GLU QG 3.480 . 3.480 2.311 2.182 2.413 . 0 0 "[ . 1]" 1
755 1 63 GLU H 1 63 GLU QG 4.470 . 4.470 4.158 4.016 4.270 . 0 0 "[ . 1]" 1
756 1 63 GLU HA 1 64 LEU H 3.280 . 3.280 2.198 2.137 2.307 . 0 0 "[ . 1]" 1
757 1 63 GLU HA 1 64 LEU HG 4.510 . 4.510 3.787 3.630 3.873 . 0 0 "[ . 1]" 1
758 1 63 GLU HA 1 64 LEU HB2 4.710 . 4.710 4.763 4.710 4.814 0.104 8 0 "[ . 1]" 1
759 1 63 GLU H 1 64 LEU H 5.180 . 5.180 4.300 4.043 4.486 . 0 0 "[ . 1]" 1
760 1 63 GLU QG 1 64 LEU H 4.330 . 4.330 2.498 1.981 3.097 . 0 0 "[ . 1]" 1
761 1 63 GLU HB2 1 64 LEU H 4.640 . 4.640 4.244 3.996 4.481 . 0 0 "[ . 1]" 1
762 1 63 GLU HA 1 64 LEU MD1 5.470 . 5.470 5.209 5.074 5.288 . 0 0 "[ . 1]" 1
763 1 63 GLU H 1 66 VAL HB 4.810 . 4.810 3.168 2.591 4.521 . 0 0 "[ . 1]" 1
764 1 63 GLU HA 1 66 VAL QG 5.180 . 5.180 4.022 3.308 4.206 . 0 0 "[ . 1]" 1
765 1 63 GLU HB2 1 66 VAL HB 3.620 . 3.620 3.508 3.143 3.694 0.074 10 0 "[ . 1]" 1
766 1 63 GLU HB3 1 66 VAL HB 3.620 . 3.620 2.169 1.927 2.594 . 0 0 "[ . 1]" 1
767 1 64 LEU H 1 64 LEU HG 3.660 . 3.660 2.134 1.988 2.305 . 0 0 "[ . 1]" 1
768 1 64 LEU H 1 64 LEU HB2 3.970 . 3.970 2.593 2.494 2.684 . 0 0 "[ . 1]" 1
769 1 64 LEU HB2 1 64 LEU MD1 3.620 . 3.620 2.443 2.333 2.526 . 0 0 "[ . 1]" 1
770 1 64 LEU H 1 64 LEU MD2 4.470 . 4.470 2.797 2.564 3.114 . 0 0 "[ . 1]" 1
771 1 64 LEU H 1 64 LEU MD1 4.940 . 4.940 3.698 3.614 3.777 . 0 0 "[ . 1]" 1
772 1 64 LEU HB3 1 64 LEU MD1 3.580 . 3.580 2.251 2.132 2.373 . 0 0 "[ . 1]" 1
773 1 64 LEU HA 1 64 LEU MD2 3.600 . 3.600 2.006 1.900 2.149 . 0 0 "[ . 1]" 1
774 1 64 LEU MD1 1 65 GLY H 5.320 . 5.320 5.323 5.208 5.417 0.097 10 0 "[ . 1]" 1
775 1 64 LEU MD2 1 65 GLY H 4.540 . 4.540 3.830 3.725 3.902 . 0 0 "[ . 1]" 1
776 1 64 LEU HB3 1 65 GLY H 4.560 . 4.560 3.763 3.592 3.892 . 0 0 "[ . 1]" 1
777 1 64 LEU HB2 1 65 GLY H 5.110 . 5.110 4.346 4.271 4.408 . 0 0 "[ . 1]" 1
778 1 64 LEU HA 1 65 GLY H 3.200 . 3.200 2.171 2.147 2.194 . 0 0 "[ . 1]" 1
779 1 64 LEU HA 1 66 VAL H 4.830 . 4.830 3.682 3.622 3.811 . 0 0 "[ . 1]" 1
780 1 64 LEU HA 1 66 VAL QG 5.500 . 5.500 4.519 3.654 4.758 . 0 0 "[ . 1]" 1
781 1 64 LEU MD2 1 82 TRP HZ3 5.500 . 5.500 3.217 1.822 4.922 . 0 0 "[ . 1]" 1
782 1 64 LEU MD2 1 82 TRP QB 4.060 . 4.060 3.561 3.224 3.814 . 0 0 "[ . 1]" 1
783 1 64 LEU HB3 1 83 SER HB3 4.840 . 4.840 4.850 4.771 4.884 0.044 8 0 "[ . 1]" 1
784 1 64 LEU MD2 1 83 SER HB3 5.100 . 5.100 4.479 4.181 4.949 . 0 0 "[ . 1]" 1
785 1 64 LEU MD1 1 84 LEU MD1 5.310 . 5.310 2.996 2.066 3.517 . 0 0 "[ . 1]" 1
786 1 64 LEU MD2 1 84 LEU H 4.080 . 4.080 2.229 1.959 2.901 . 0 0 "[ . 1]" 1
787 1 64 LEU MD2 1 84 LEU HB3 4.300 . 4.300 3.281 2.761 3.512 . 0 0 "[ . 1]" 1
788 1 64 LEU MD1 1 84 LEU HB2 4.080 . 4.080 2.374 1.892 2.863 . 0 0 "[ . 1]" 1
789 1 64 LEU MD2 1 84 LEU MD1 5.390 . 5.390 2.342 1.814 2.950 . 0 0 "[ . 1]" 1
790 1 64 LEU MD1 1 84 LEU H 4.210 . 4.210 2.805 2.385 3.321 . 0 0 "[ . 1]" 1
791 1 64 LEU HB3 1 84 LEU H 5.230 . 5.230 3.046 2.541 3.419 . 0 0 "[ . 1]" 1
792 1 64 LEU MD2 1 84 LEU HB2 4.830 . 4.830 1.946 1.870 2.234 . 0 0 "[ . 1]" 1
793 1 64 LEU MD1 1 84 LEU HB3 3.980 . 3.980 2.730 2.493 3.136 . 0 0 "[ . 1]" 1
794 1 64 LEU MD1 1 84 LEU HG 4.910 . 4.910 4.615 4.103 4.924 0.014 2 0 "[ . 1]" 1
795 1 64 LEU MD1 1 85 GLU HA 5.500 . 5.500 5.467 5.141 5.553 0.053 6 0 "[ . 1]" 1
796 1 65 GLY HA3 1 66 VAL QG 3.900 . 3.900 3.540 3.379 4.141 0.241 10 0 "[ . 1]" 1
797 1 65 GLY H 1 66 VAL QG 5.170 . 5.170 3.792 2.932 3.966 . 0 0 "[ . 1]" 1
798 1 65 GLY HA2 1 66 VAL QG 4.070 . 4.070 4.141 4.109 4.208 0.138 10 0 "[ . 1]" 1
799 1 65 GLY H 1 81 THR HB 4.480 . 4.480 4.552 4.494 4.593 0.113 7 0 "[ . 1]" 1
800 1 65 GLY HA2 1 81 THR MG 4.430 . 4.430 4.462 4.447 4.475 0.045 1 0 "[ . 1]" 1
801 1 65 GLY H 1 82 TRP H 4.000 . 4.000 3.671 3.399 4.011 0.011 6 0 "[ . 1]" 1
802 1 66 VAL H 1 66 VAL HB 3.250 . 3.250 2.828 2.739 3.254 0.004 10 0 "[ . 1]" 1
803 1 66 VAL HA 1 66 VAL QG 3.120 . 3.120 2.120 2.044 2.433 . 0 0 "[ . 1]" 1
804 1 66 VAL HA 1 67 THR HB 4.310 . 4.310 4.388 4.374 4.412 0.102 10 0 "[ . 1]" 1
805 1 66 VAL H 1 67 THR H 5.190 . 5.190 4.380 4.272 4.466 . 0 0 "[ . 1]" 1
806 1 66 VAL HA 1 67 THR H 2.610 . 2.610 2.240 2.107 2.358 . 0 0 "[ . 1]" 1
807 1 66 VAL HB 1 67 THR H 4.540 . 4.540 3.794 3.521 4.063 . 0 0 "[ . 1]" 1
808 1 67 THR H 1 67 THR HB 2.950 . 2.950 2.225 2.155 2.375 . 0 0 "[ . 1]" 1
809 1 67 THR HA 1 67 THR MG 3.460 . 3.460 2.657 2.574 2.701 . 0 0 "[ . 1]" 1
810 1 67 THR HA 1 68 PHE H 2.940 . 2.940 2.229 2.180 2.351 . 0 0 "[ . 1]" 1
811 1 67 THR MG 1 68 PHE H 3.540 . 3.540 2.224 1.906 2.349 . 0 0 "[ . 1]" 1
812 1 67 THR MG 1 68 PHE HA 4.760 . 4.760 3.755 3.537 3.874 . 0 0 "[ . 1]" 1
813 1 67 THR HB 1 68 PHE H 4.670 . 4.670 4.105 3.862 4.225 . 0 0 "[ . 1]" 1
814 1 67 THR MG 1 79 ARG HD2 4.270 . 4.270 2.986 2.028 3.683 . 0 0 "[ . 1]" 1
815 1 67 THR MG 1 79 ARG HD3 4.280 . 4.280 3.492 1.944 4.281 0.001 1 0 "[ . 1]" 1
816 1 67 THR MG 1 79 ARG HA 4.650 . 4.650 3.297 3.077 3.469 . 0 0 "[ . 1]" 1
817 1 67 THR MG 1 80 GLY HA3 4.230 . 4.230 4.223 4.036 4.284 0.054 6 0 "[ . 1]" 1
818 1 67 THR MG 1 80 GLY H 3.740 . 3.740 2.630 2.268 2.830 . 0 0 "[ . 1]" 1
819 1 67 THR HA 1 80 GLY H 4.360 . 4.360 4.318 4.149 4.396 0.036 6 0 "[ . 1]" 1
820 1 67 THR MG 1 81 THR MG 4.180 . 4.180 3.475 3.172 3.612 . 0 0 "[ . 1]" 1
821 1 67 THR HB 1 81 THR MG 4.000 . 4.000 3.927 3.640 4.042 0.042 7 0 "[ . 1]" 1
822 1 67 THR H 1 81 THR MG 3.730 . 3.730 3.302 3.007 3.634 . 0 0 "[ . 1]" 1
823 1 67 THR HA 1 81 THR MG 3.220 . 3.220 1.911 1.840 2.077 . 0 0 "[ . 1]" 1
824 1 68 PHE HA 1 68 PHE HD1 4.520 . 4.520 1.870 1.779 2.036 0.021 4 0 "[ . 1]" 1
825 1 68 PHE HA 1 68 PHE HD2 4.460 . 4.460 4.476 4.341 4.603 0.143 4 0 "[ . 1]" 1
826 1 68 PHE HA 1 68 PHE QD 3.900 . 3.900 1.869 1.778 2.033 0.022 4 0 "[ . 1]" 1
827 1 68 PHE HB2 1 69 ASN H 4.060 . 4.060 4.110 4.078 4.164 0.104 8 0 "[ . 1]" 1
828 1 68 PHE HA 1 69 ASN H 3.060 . 3.060 2.361 2.301 2.443 . 0 0 "[ . 1]" 1
829 1 68 PHE QD 1 69 ASN H 4.220 . 4.220 2.948 1.870 3.639 . 0 0 "[ . 1]" 1
830 1 68 PHE HB3 1 69 ASN H 3.440 . 3.440 3.127 2.871 3.476 0.036 4 0 "[ . 1]" 1
831 1 68 PHE H 1 79 ARG HA 4.510 . 4.510 4.253 3.801 4.514 0.004 6 0 "[ . 1]" 1
832 1 68 PHE H 1 80 GLY H 4.020 . 4.020 2.463 2.172 2.607 . 0 0 "[ . 1]" 1
833 1 68 PHE H 1 81 THR MG 4.410 . 4.410 3.446 3.328 3.594 . 0 0 "[ . 1]" 1
834 1 69 ASN QB 1 70 TYR H 4.200 . 4.200 3.141 2.869 3.428 . 0 0 "[ . 1]" 1
835 1 69 ASN HA 1 70 TYR H 3.420 . 3.420 2.153 2.113 2.231 . 0 0 "[ . 1]" 1
836 1 75 GLY HA2 1 76 THR HB 4.390 . 4.390 4.379 4.181 4.559 0.169 3 0 "[ . 1]" 1
837 1 75 GLY H 1 76 THR MG 4.790 . 4.790 4.691 3.337 5.034 0.244 5 0 "[ . 1]" 1
838 1 76 THR H 1 76 THR HB 3.240 . 3.240 3.288 2.917 3.449 0.209 7 0 "[ . 1]" 1
839 1 76 THR H 1 77 GLU H 4.500 . 4.500 3.832 1.996 4.622 0.122 2 0 "[ . 1]" 1
840 1 76 THR MG 1 77 GLU H 4.150 . 4.150 2.545 1.924 3.704 . 0 0 "[ . 1]" 1
841 1 76 THR HB 1 77 GLU H 4.000 . 4.000 3.750 3.417 4.140 0.140 3 0 "[ . 1]" 1
842 1 76 THR MG 1 78 LEU MD1 4.080 . 4.080 2.433 1.821 4.102 0.022 3 0 "[ . 1]" 1
843 1 76 THR HB 1 78 LEU MD1 4.350 . 4.350 3.809 3.023 4.373 0.023 6 0 "[ . 1]" 1
844 1 76 THR H 1 78 LEU MD1 5.410 . 5.410 5.338 4.722 5.533 0.123 3 0 "[ . 1]" 1
845 1 78 LEU HA 1 78 LEU MD2 3.790 . 3.790 3.061 2.938 3.210 . 0 0 "[ . 1]" 1
846 1 78 LEU H 1 78 LEU MD1 5.430 . 5.430 3.458 2.840 3.911 . 0 0 "[ . 1]" 1
847 1 78 LEU H 1 78 LEU MD2 5.150 . 5.150 4.655 4.396 4.819 . 0 0 "[ . 1]" 1
848 1 78 LEU QB 1 93 PHE HB3 4.860 . 4.860 1.812 1.720 1.920 0.080 3 0 "[ . 1]" 1
849 1 78 LEU MD2 1 93 PHE HB3 4.560 . 4.560 1.781 1.768 1.808 0.032 4 0 "[ . 1]" 1
850 1 78 LEU HG 1 93 PHE HB3 5.160 . 5.160 3.517 3.429 3.653 . 0 0 "[ . 1]" 1
851 1 78 LEU HA 1 93 PHE HB3 5.140 . 5.140 3.404 3.121 3.779 . 0 0 "[ . 1]" 1
852 1 78 LEU H 1 93 PHE QD 4.440 . 4.440 4.444 4.119 4.540 0.100 5 0 "[ . 1]" 1
853 1 78 LEU HG 1 93 PHE HB2 4.360 . 4.360 4.511 4.449 4.566 0.206 3 0 "[ . 1]" 1
854 1 78 LEU MD1 1 93 PHE HB3 4.670 . 4.670 3.882 3.836 4.007 . 0 0 "[ . 1]" 1
855 1 78 LEU MD2 1 93 PHE QD 5.500 . 5.500 2.942 2.739 3.089 . 0 0 "[ . 1]" 1
856 1 78 LEU MD2 1 93 PHE HB2 4.480 . 4.480 1.911 1.847 1.990 . 0 0 "[ . 1]" 1
857 1 78 LEU HA 1 94 LYS H 4.630 . 4.630 3.104 2.835 3.623 . 0 0 "[ . 1]" 1
858 1 78 LEU MD2 1 94 LYS H 5.250 . 5.250 2.816 2.563 3.020 . 0 0 "[ . 1]" 1
859 1 78 LEU MD2 1 95 ARG QB 5.500 . 5.500 4.279 4.062 4.571 . 0 0 "[ . 1]" 1
860 1 78 LEU MD2 1 95 ARG HG3 4.030 . 4.030 3.390 3.058 4.047 0.017 4 0 "[ . 1]" 1
861 1 78 LEU MD2 1 95 ARG QD 5.500 . 5.500 4.171 3.241 4.481 . 0 0 "[ . 1]" 1
862 1 78 LEU MD1 1 95 ARG HA 5.400 . 5.400 4.280 4.203 4.418 . 0 0 "[ . 1]" 1
863 1 78 LEU HA 1 95 ARG HA 4.730 . 4.730 2.737 2.596 2.880 . 0 0 "[ . 1]" 1
864 1 78 LEU HG 1 95 ARG HA 4.220 . 4.220 2.930 2.872 3.040 . 0 0 "[ . 1]" 1
865 1 78 LEU MD2 1 95 ARG HA 3.820 . 3.820 3.847 3.769 3.932 0.112 4 0 "[ . 1]" 1
866 1 78 LEU MD2 1 95 ARG H 5.260 . 5.260 3.636 3.495 3.823 . 0 0 "[ . 1]" 1
867 1 78 LEU MD1 1 96 THR H 5.500 . 5.500 5.532 5.510 5.545 0.045 9 0 "[ . 1]" 1
868 1 78 LEU MD2 1 102 LEU H 5.420 . 5.420 4.911 4.695 5.064 . 0 0 "[ . 1]" 1
869 1 78 LEU MD1 1 102 LEU QD . . 4.180 2.973 2.821 3.932 . 0 0 "[ . 1]" 1
870 1 78 LEU MD2 1 102 LEU QB . . 4.160 2.607 2.482 2.700 . 0 0 "[ . 1]" 1
871 1 78 LEU MD1 1 102 LEU HG 5.500 . 5.500 5.457 4.090 5.705 0.205 3 0 "[ . 1]" 1
872 1 78 LEU MD2 1 102 LEU QD 4.200 . 4.200 1.773 1.637 2.669 0.163 3 0 "[ . 1]" 1
873 1 79 ARG QB 1 79 ARG HD2 3.310 . 3.310 2.672 1.975 3.290 . 0 0 "[ . 1]" 1
874 1 79 ARG QB 1 79 ARG HD3 3.480 . 3.480 2.543 1.982 3.258 . 0 0 "[ . 1]" 1
875 1 79 ARG HA 1 79 ARG HD3 5.050 . 5.050 4.061 3.271 4.708 . 0 0 "[ . 1]" 1
876 1 79 ARG QB 1 80 GLY H 3.850 . 3.850 3.616 3.186 3.827 . 0 0 "[ . 1]" 1
877 1 79 ARG HA 1 80 GLY H 3.080 . 3.080 2.183 2.158 2.204 . 0 0 "[ . 1]" 1
878 1 79 ARG QG 1 80 GLY H 4.780 . 4.780 3.435 2.892 4.460 . 0 0 "[ . 1]" 1
879 1 79 ARG QB 1 80 GLY HA3 5.130 . 5.130 5.006 4.820 5.150 0.020 3 0 "[ . 1]" 1
880 1 79 ARG HA 1 93 PHE QD 5.170 . 5.170 2.887 2.268 3.490 . 0 0 "[ . 1]" 1
881 1 79 ARG QB 1 93 PHE QD 4.720 . 4.720 4.575 4.196 4.804 0.084 6 0 "[ . 1]" 1
882 1 79 ARG HA 1 93 PHE HB3 5.300 . 5.300 4.488 4.094 4.739 . 0 0 "[ . 1]" 1
883 1 79 ARG QB 1 94 LYS QB 2.990 . 2.990 3.065 3.031 3.096 0.106 1 0 "[ . 1]" 1
884 1 79 ARG QB 1 94 LYS H 4.760 . 4.760 3.716 3.504 3.815 . 0 0 "[ . 1]" 1
885 1 79 ARG QG 1 94 LYS H 5.440 . 5.440 4.777 4.302 5.045 . 0 0 "[ . 1]" 1
886 1 80 GLY HA3 1 81 THR H 3.570 . 3.570 2.180 2.143 2.267 . 0 0 "[ . 1]" 1
887 1 80 GLY HA3 1 81 THR MG 4.670 . 4.670 4.217 4.106 4.428 . 0 0 "[ . 1]" 1
888 1 80 GLY HA3 1 93 PHE HA 3.900 . 3.900 1.948 1.883 2.037 . 0 0 "[ . 1]" 1
889 1 80 GLY H 1 93 PHE QD 4.760 . 4.760 3.199 2.765 3.735 . 0 0 "[ . 1]" 1
890 1 80 GLY H 1 93 PHE HA 4.270 . 4.270 2.878 2.577 3.637 . 0 0 "[ . 1]" 1
891 1 80 GLY H 1 94 LYS H 4.430 . 4.430 4.040 3.839 4.460 0.030 6 0 "[ . 1]" 1
892 1 80 GLY HA2 1 94 LYS H 4.100 . 4.100 4.040 3.719 4.161 0.061 5 0 "[ . 1]" 1
893 1 81 THR H 1 81 THR MG 3.440 . 3.440 3.465 3.408 3.506 0.066 8 0 "[ . 1]" 1
894 1 81 THR HA 1 82 TRP HA 5.200 . 5.200 4.512 4.405 4.573 . 0 0 "[ . 1]" 1
895 1 81 THR MG 1 82 TRP H 4.520 . 4.520 3.416 3.278 3.628 . 0 0 "[ . 1]" 1
896 1 81 THR HA 1 82 TRP H 3.390 . 3.390 2.433 2.184 2.537 . 0 0 "[ . 1]" 1
897 1 81 THR HA 1 82 TRP QB 4.040 . 4.040 3.862 3.796 4.010 . 0 0 "[ . 1]" 1
898 1 81 THR HB 1 82 TRP H 3.540 . 3.540 2.356 2.072 3.141 . 0 0 "[ . 1]" 1
899 1 81 THR H 1 92 LYS HB3 5.230 . 5.230 3.448 2.265 5.234 0.004 8 0 "[ . 1]" 1
900 1 81 THR H 1 92 LYS H 4.180 . 4.180 2.607 2.234 2.832 . 0 0 "[ . 1]" 1
901 1 81 THR H 1 93 PHE HA 4.630 . 4.630 3.718 3.583 3.824 . 0 0 "[ . 1]" 1
902 1 82 TRP H 1 82 TRP QB 3.810 . 3.810 2.645 2.302 2.814 . 0 0 "[ . 1]" 1
903 1 82 TRP HA 1 82 TRP HE3 5.500 . 5.500 4.650 4.304 5.205 . 0 0 "[ . 1]" 1
904 1 82 TRP QB 1 83 SER H 3.950 . 3.950 3.573 3.254 3.734 . 0 0 "[ . 1]" 1
905 1 82 TRP HA 1 83 SER H 3.130 . 3.130 2.177 2.148 2.223 . 0 0 "[ . 1]" 1
906 1 82 TRP HZ3 1 84 LEU MD1 4.780 . 4.780 2.973 2.111 4.099 . 0 0 "[ . 1]" 1
907 1 82 TRP HE3 1 84 LEU MD1 4.040 . 4.040 4.010 3.578 4.074 0.034 5 0 "[ . 1]" 1
908 1 82 TRP HA 1 90 ILE HB 5.070 . 5.070 4.761 4.148 5.095 0.025 8 0 "[ . 1]" 1
909 1 82 TRP HA 1 90 ILE MG 5.500 . 5.500 5.086 4.762 5.522 0.022 6 0 "[ . 1]" 1
910 1 82 TRP HA 1 91 GLY HA2 3.880 . 3.880 2.018 1.896 2.232 . 0 0 "[ . 1]" 1
911 1 82 TRP HA 1 91 GLY HA3 4.840 . 4.840 3.499 3.153 3.863 . 0 0 "[ . 1]" 1
912 1 82 TRP HA 1 91 GLY H 4.400 . 4.400 4.514 4.468 4.557 0.157 7 0 "[ . 1]" 1
913 1 82 TRP H 1 91 GLY HA2 5.010 . 5.010 4.560 4.459 4.698 . 0 0 "[ . 1]" 1
914 1 82 TRP HA 1 92 LYS H 4.280 . 4.280 3.565 3.395 3.940 . 0 0 "[ . 1]" 1
915 1 83 SER H 1 84 LEU H 5.140 . 5.140 4.353 4.176 4.435 . 0 0 "[ . 1]" 1
916 1 83 SER HB3 1 84 LEU H 3.490 . 3.490 3.153 2.791 3.491 0.001 3 0 "[ . 1]" 1
917 1 83 SER H 1 89 LEU HA 4.880 . 4.880 4.810 4.572 4.906 0.026 10 0 "[ . 1]" 1
918 1 83 SER HB3 1 90 ILE MD 5.100 . 5.100 3.900 3.038 5.134 0.034 9 0 "[ . 1]" 1
919 1 83 SER H 1 90 ILE H 3.910 . 3.910 3.027 2.822 3.259 . 0 0 "[ . 1]" 1
920 1 83 SER H 1 90 ILE HB 4.420 . 4.420 3.510 3.101 3.868 . 0 0 "[ . 1]" 1
921 1 83 SER H 1 90 ILE MG 5.410 . 5.410 4.622 4.350 4.918 . 0 0 "[ . 1]" 1
922 1 83 SER HB3 1 90 ILE HB 4.370 . 4.370 4.251 3.638 4.405 0.035 8 0 "[ . 1]" 1
923 1 83 SER HB2 1 90 ILE MG 5.500 . 5.500 4.992 4.420 5.471 . 0 0 "[ . 1]" 1
924 1 83 SER H 1 91 GLY HA2 4.870 . 4.870 3.376 3.125 3.678 . 0 0 "[ . 1]" 1
925 1 84 LEU HA 1 84 LEU MD1 4.540 . 4.540 3.364 3.166 3.627 . 0 0 "[ . 1]" 1
926 1 84 LEU H 1 84 LEU HB3 3.530 . 3.530 3.168 2.998 3.421 . 0 0 "[ . 1]" 1
927 1 84 LEU H 1 84 LEU MD2 5.290 . 5.290 4.533 4.472 4.625 . 0 0 "[ . 1]" 1
928 1 84 LEU H 1 84 LEU HB2 3.250 . 3.250 2.473 2.240 2.653 . 0 0 "[ . 1]" 1
929 1 84 LEU H 1 84 LEU MD1 5.500 . 5.500 3.978 3.039 4.327 . 0 0 "[ . 1]" 1
930 1 84 LEU HA 1 84 LEU MD2 4.020 . 4.020 3.167 2.698 3.421 . 0 0 "[ . 1]" 1
931 1 84 LEU H 1 84 LEU HG 4.560 . 4.560 4.325 4.051 4.495 . 0 0 "[ . 1]" 1
932 1 84 LEU HA 1 85 GLU HB2 5.170 . 5.170 4.481 4.203 4.690 . 0 0 "[ . 1]" 1
933 1 84 LEU MD2 1 85 GLU H 3.950 . 3.950 3.152 2.669 3.975 0.025 5 0 "[ . 1]" 1
934 1 84 LEU HA 1 85 GLU H 2.920 . 2.920 2.144 2.118 2.183 . 0 0 "[ . 1]" 1
935 1 84 LEU HB3 1 85 GLU QG 5.500 . 5.500 5.063 4.776 5.409 . 0 0 "[ . 1]" 1
936 1 84 LEU HB2 1 85 GLU H 4.380 . 4.380 4.411 4.383 4.436 0.056 10 0 "[ . 1]" 1
937 1 84 LEU MD1 1 85 GLU H 5.440 . 5.440 4.679 4.551 4.864 . 0 0 "[ . 1]" 1
938 1 84 LEU HG 1 85 GLU H 3.880 . 3.880 3.325 3.068 3.804 . 0 0 "[ . 1]" 1
939 1 84 LEU HB3 1 85 GLU H 4.460 . 4.460 3.639 3.360 3.874 . 0 0 "[ . 1]" 1
940 1 84 LEU MD2 1 87 ASN HA 4.600 . 4.600 3.564 2.925 4.332 . 0 0 "[ . 1]" 1
941 1 84 LEU MD2 1 88 LYS H 4.290 . 4.290 3.111 2.472 4.086 . 0 0 "[ . 1]" 1
942 1 84 LEU MD2 1 88 LYS HA 5.500 . 5.500 4.223 3.638 4.955 . 0 0 "[ . 1]" 1
943 1 84 LEU MD2 1 89 LEU HA 5.430 . 5.430 3.696 3.298 3.902 . 0 0 "[ . 1]" 1
944 1 84 LEU HA 1 89 LEU HA 4.230 . 4.230 2.065 1.855 2.544 . 0 0 "[ . 1]" 1
945 1 84 LEU HB3 1 89 LEU HA 4.740 . 4.740 4.575 4.133 4.780 0.040 6 0 "[ . 1]" 1
946 1 84 LEU HG 1 89 LEU HB3 5.470 . 5.470 2.556 1.864 4.189 . 0 0 "[ . 1]" 1
947 1 84 LEU MD1 1 89 LEU HB3 4.500 . 4.500 2.726 1.898 4.380 . 0 0 "[ . 1]" 1
948 1 84 LEU MD2 1 90 ILE H 5.500 . 5.500 5.362 4.887 5.544 0.044 8 0 "[ . 1]" 1
949 1 84 LEU HA 1 90 ILE H 4.150 . 4.150 3.070 2.868 3.299 . 0 0 "[ . 1]" 1
950 1 85 GLU H 1 85 GLU QG 4.010 . 4.010 3.005 2.557 3.466 . 0 0 "[ . 1]" 1
951 1 85 GLU HB2 1 85 GLU QG 2.600 . 2.600 2.143 2.128 2.170 . 0 0 "[ . 1]" 1
952 1 85 GLU HA 1 85 GLU QG 3.490 . 3.490 2.439 2.101 2.764 . 0 0 "[ . 1]" 1
953 1 85 GLU H 1 85 GLU HB3 3.760 . 3.760 3.731 3.578 3.811 0.051 7 0 "[ . 1]" 1
954 1 85 GLU H 1 85 GLU HB2 3.780 . 3.780 2.606 2.387 2.707 . 0 0 "[ . 1]" 1
955 1 85 GLU QG 1 86 GLY H 4.680 . 4.680 4.451 4.141 4.685 0.005 10 0 "[ . 1]" 1
956 1 85 GLU HB2 1 86 GLY H 4.710 . 4.710 4.479 4.391 4.597 . 0 0 "[ . 1]" 1
957 1 85 GLU HA 1 86 GLY HA2 4.800 . 4.800 4.413 4.388 4.433 . 0 0 "[ . 1]" 1
958 1 85 GLU HA 1 86 GLY H 2.800 . 2.800 2.218 2.178 2.233 . 0 0 "[ . 1]" 1
959 1 85 GLU H 1 88 LYS H 3.750 . 3.750 3.314 3.223 3.393 . 0 0 "[ . 1]" 1
960 1 85 GLU QG 1 90 ILE HG13 4.670 . 4.670 4.033 2.836 4.641 . 0 0 "[ . 1]" 1
961 1 85 GLU QG 1 90 ILE HG12 4.400 . 4.400 3.867 2.984 4.406 0.006 7 0 "[ . 1]" 1
962 1 85 GLU HB3 1 90 ILE MD 4.050 . 4.050 4.054 4.010 4.075 0.025 10 0 "[ . 1]" 1
963 1 85 GLU QG 1 90 ILE MG 5.270 . 5.270 5.035 4.612 5.276 0.006 7 0 "[ . 1]" 1
964 1 85 GLU HB2 1 90 ILE MD 3.720 . 3.720 2.818 2.670 3.107 . 0 0 "[ . 1]" 1
965 1 85 GLU QG 1 90 ILE HB 4.690 . 4.690 4.672 4.598 4.698 0.008 3 0 "[ . 1]" 1
966 1 85 GLU H 1 90 ILE MD 5.360 . 5.360 3.126 2.741 3.791 . 0 0 "[ . 1]" 1
967 1 85 GLU QG 1 90 ILE MD 3.880 . 3.880 2.443 1.847 3.554 . 0 0 "[ . 1]" 1
968 1 86 GLY HA2 1 87 ASN H 3.360 . 3.360 3.379 3.356 3.402 0.042 10 0 "[ . 1]" 1
969 1 86 GLY HA3 1 87 ASN H 3.340 . 3.340 2.164 2.154 2.174 . 0 0 "[ . 1]" 1
970 1 86 GLY H 1 87 ASN HA 5.500 . 5.500 5.453 5.360 5.528 0.028 9 0 "[ . 1]" 1
971 1 86 GLY HA3 1 87 ASN HA 4.880 . 4.880 4.370 4.357 4.377 . 0 0 "[ . 1]" 1
972 1 86 GLY HA2 1 87 ASN HA 4.460 . 4.460 4.481 4.465 4.495 0.035 6 0 "[ . 1]" 1
973 1 86 GLY HA2 1 88 LYS H 4.790 . 4.790 4.506 4.400 4.598 . 0 0 "[ . 1]" 1
974 1 86 GLY HA3 1 88 LYS H 3.950 . 3.950 3.722 3.662 3.767 . 0 0 "[ . 1]" 1
975 1 87 ASN HB2 1 88 LYS QD 4.680 . 4.680 4.019 2.995 4.683 0.003 2 0 "[ . 1]" 1
976 1 87 ASN H 1 88 LYS QB 5.010 . 5.010 4.200 4.066 4.352 . 0 0 "[ . 1]" 1
977 1 87 ASN H 1 88 LYS QE 4.670 . 4.670 4.006 2.289 4.671 0.001 1 0 "[ . 1]" 1
978 1 87 ASN HA 1 88 LYS H 3.650 . 3.650 3.044 3.036 3.052 . 0 0 "[ . 1]" 1
979 1 87 ASN HA 1 88 LYS HA 5.260 . 5.260 4.430 4.410 4.465 . 0 0 "[ . 1]" 1
980 1 87 ASN HB3 1 88 LYS H 5.080 . 5.080 4.404 3.996 4.606 . 0 0 "[ . 1]" 1
981 1 87 ASN H 1 88 LYS H 3.190 . 3.190 2.510 2.452 2.587 . 0 0 "[ . 1]" 1
982 1 88 LYS H 1 88 LYS QB 3.300 . 3.300 2.831 2.588 3.186 . 0 0 "[ . 1]" 1
983 1 88 LYS HA 1 89 LEU H 3.390 . 3.390 2.253 2.169 2.352 . 0 0 "[ . 1]" 1
984 1 88 LYS QB 1 89 LEU H 4.530 . 4.530 2.776 2.505 3.073 . 0 0 "[ . 1]" 1
985 1 88 LYS QE 1 90 ILE MD 4.030 . 4.030 3.893 3.326 4.033 0.003 1 0 "[ . 1]" 1
986 1 88 LYS H 1 90 ILE MD 5.110 . 5.110 4.969 4.279 5.122 0.012 4 0 "[ . 1]" 1
987 1 88 LYS QB 1 106 ARG H 5.290 . 5.290 4.318 3.846 4.910 . 0 0 "[ . 1]" 1
988 1 89 LEU H 1 89 LEU HB3 3.750 . 3.750 3.344 2.591 3.772 0.022 3 0 "[ . 1]" 1
989 1 89 LEU H 1 89 LEU HG 5.070 . 5.070 2.887 2.001 4.928 . 0 0 "[ . 1]" 1
990 1 89 LEU HA 1 89 LEU HG 3.890 . 3.890 3.534 2.909 3.924 0.034 7 0 "[ . 1]" 1
991 1 89 LEU MD1 1 90 ILE MD 5.200 . 5.200 4.622 4.200 5.202 0.002 5 0 "[ . 1]" 1
992 1 89 LEU H 1 90 ILE MD 4.720 . 4.720 4.032 3.068 4.628 . 0 0 "[ . 1]" 1
993 1 89 LEU H 1 90 ILE H 5.300 . 5.300 4.407 4.249 4.483 . 0 0 "[ . 1]" 1
994 1 89 LEU HA 1 90 ILE H 2.940 . 2.940 2.205 2.139 2.264 . 0 0 "[ . 1]" 1
995 1 89 LEU HG 1 90 ILE H 5.300 . 5.300 4.925 4.555 5.340 0.040 6 0 "[ . 1]" 1
996 1 89 LEU H 1 106 ARG H 4.220 . 4.220 3.609 3.241 4.008 . 0 0 "[ . 1]" 1
997 1 89 LEU MD1 1 113 LEU MD1 5.050 . 5.050 4.144 2.494 5.073 0.023 6 0 "[ . 1]" 1
998 1 89 LEU HG 1 113 LEU MD1 4.980 . 4.980 4.516 3.958 4.993 0.013 10 0 "[ . 1]" 1
999 1 90 ILE H 1 90 ILE HG12 4.190 . 4.190 3.568 2.092 4.235 0.045 7 0 "[ . 1]" 1
1000 1 90 ILE H 1 90 ILE MD 4.150 . 4.150 2.401 2.074 3.032 . 0 0 "[ . 1]" 1
1001 1 90 ILE H 1 90 ILE HB 3.240 . 3.240 2.967 2.837 3.285 0.045 6 0 "[ . 1]" 1
1002 1 90 ILE HB 1 90 ILE MD 3.420 . 3.420 2.488 2.059 3.227 . 0 0 "[ . 1]" 1
1003 1 90 ILE HA 1 90 ILE MG 3.410 . 3.410 2.165 2.051 2.264 . 0 0 "[ . 1]" 1
1004 1 90 ILE H 1 90 ILE HG13 3.930 . 3.930 3.263 2.892 3.840 . 0 0 "[ . 1]" 1
1005 1 90 ILE HG12 1 90 ILE MG 3.520 . 3.520 2.438 2.045 3.208 . 0 0 "[ . 1]" 1
1006 1 90 ILE MG 1 91 GLY HA3 5.230 . 5.230 4.550 4.276 4.781 . 0 0 "[ . 1]" 1
1007 1 90 ILE MG 1 91 GLY HA2 4.910 . 4.910 4.174 3.751 4.495 . 0 0 "[ . 1]" 1
1008 1 90 ILE MG 1 91 GLY H 3.650 . 3.650 2.778 2.394 3.371 . 0 0 "[ . 1]" 1
1009 1 90 ILE HA 1 91 GLY H 3.090 . 3.090 2.164 2.110 2.216 . 0 0 "[ . 1]" 1
1010 1 90 ILE MD 1 92 LYS QE 5.210 . 5.210 4.992 4.296 5.254 0.044 4 0 "[ . 1]" 1
1011 1 90 ILE MG 1 92 LYS QG 4.090 . 4.090 3.912 3.262 4.128 0.038 9 0 "[ . 1]" 1
1012 1 90 ILE HB 1 92 LYS QD 3.960 . 3.960 3.833 3.255 4.004 0.044 10 0 "[ . 1]" 1
1013 1 90 ILE MG 1 92 LYS QE 4.030 . 4.030 2.351 1.808 3.170 . 0 0 "[ . 1]" 1
1014 1 90 ILE MG 1 103 ASN HA 4.980 . 4.980 4.534 4.324 4.827 . 0 0 "[ . 1]" 1
1015 1 90 ILE MG 1 104 THR HA 4.520 . 4.520 4.594 4.544 4.654 0.134 6 0 "[ . 1]" 1
1016 1 90 ILE MG 1 104 THR H 4.550 . 4.550 3.148 2.974 3.274 . 0 0 "[ . 1]" 1
1017 1 90 ILE MG 1 105 VAL HA 4.350 . 4.350 2.420 2.190 2.989 . 0 0 "[ . 1]" 1
1018 1 90 ILE MG 1 105 VAL QG 3.380 . 3.380 2.106 1.855 2.522 . 0 0 "[ . 1]" 1
1019 1 90 ILE HA 1 105 VAL HA 4.000 . 4.000 2.559 2.219 2.821 . 0 0 "[ . 1]" 1
1020 1 90 ILE HA 1 105 VAL QG 4.020 . 4.020 3.400 3.042 3.707 . 0 0 "[ . 1]" 1
1021 1 90 ILE H 1 106 ARG H 5.380 . 5.380 4.911 4.503 5.315 . 0 0 "[ . 1]" 1
1022 1 91 GLY HA2 1 92 LYS H 3.510 . 3.510 2.351 2.262 2.439 . 0 0 "[ . 1]" 1
1023 1 91 GLY H 1 92 LYS QE 4.960 . 4.960 4.119 2.846 5.002 0.042 5 0 "[ . 1]" 1
1024 1 91 GLY HA3 1 104 THR H 5.140 . 5.140 4.811 4.676 5.042 . 0 0 "[ . 1]" 1
1025 1 91 GLY H 1 104 THR H 4.630 . 4.630 3.749 3.237 4.177 . 0 0 "[ . 1]" 1
1026 1 91 GLY H 1 105 VAL HA 3.840 . 3.840 3.655 3.428 3.820 . 0 0 "[ . 1]" 1
1027 1 91 GLY H 1 105 VAL QG 4.390 . 4.390 4.230 3.900 4.421 0.031 2 0 "[ . 1]" 1
1028 1 92 LYS HB2 1 92 LYS QE 4.490 . 4.490 2.938 1.890 3.786 . 0 0 "[ . 1]" 1
1029 1 92 LYS H 1 92 LYS HG3 4.580 . 4.580 4.020 3.569 4.360 . 0 0 "[ . 1]" 1
1030 1 92 LYS H 1 92 LYS HB3 3.750 . 3.750 3.736 3.651 3.831 0.081 10 0 "[ . 1]" 1
1031 1 92 LYS HB3 1 92 LYS QE 4.360 . 4.360 3.225 1.923 4.259 . 0 0 "[ . 1]" 1
1032 1 92 LYS H 1 92 LYS HB2 4.080 . 4.080 3.049 2.673 3.754 . 0 0 "[ . 1]" 1
1033 1 92 LYS QE 1 92 LYS QG 3.180 . 3.180 2.322 2.006 2.785 . 0 0 "[ . 1]" 1
1034 1 92 LYS H 1 92 LYS QE 4.820 . 4.820 4.051 2.305 4.864 0.044 9 0 "[ . 1]" 1
1035 1 92 LYS H 1 92 LYS QG 4.480 . 4.480 3.405 2.130 4.107 . 0 0 "[ . 1]" 1
1036 1 92 LYS H 1 92 LYS QD 5.090 . 5.090 3.740 3.122 4.334 . 0 0 "[ . 1]" 1
1037 1 92 LYS HA 1 93 PHE QD 4.740 . 4.740 4.005 3.440 4.363 . 0 0 "[ . 1]" 1
1038 1 92 LYS HA 1 93 PHE H 3.110 . 3.110 2.288 2.168 2.335 . 0 0 "[ . 1]" 1
1039 1 92 LYS HA 1 93 PHE HB2 4.770 . 4.770 4.457 4.303 4.670 . 0 0 "[ . 1]" 1
1040 1 92 LYS QG 1 93 PHE H 5.230 . 5.230 3.697 3.119 4.563 . 0 0 "[ . 1]" 1
1041 1 92 LYS QE 1 93 PHE H 5.500 . 5.500 5.222 4.994 5.533 0.033 4 0 "[ . 1]" 1
1042 1 92 LYS QE 1 104 THR H 4.860 . 4.860 3.332 1.967 4.801 . 0 0 "[ . 1]" 1
1043 1 93 PHE H 1 93 PHE HB2 4.150 . 4.150 2.735 2.505 2.855 . 0 0 "[ . 1]" 1
1044 1 93 PHE HA 1 94 LYS H 3.160 . 3.160 2.465 2.442 2.503 . 0 0 "[ . 1]" 1
1045 1 93 PHE HB2 1 94 LYS H 4.050 . 4.050 3.457 3.331 3.531 . 0 0 "[ . 1]" 1
1046 1 93 PHE HA 1 94 LYS QB 5.250 . 5.250 3.943 3.900 4.060 . 0 0 "[ . 1]" 1
1047 1 93 PHE HB3 1 94 LYS H 3.740 . 3.740 2.092 2.046 2.142 . 0 0 "[ . 1]" 1
1048 1 93 PHE H 1 102 LEU QB 4.980 . 4.980 2.090 1.937 2.406 . 0 0 "[ . 1]" 1
1049 1 93 PHE QD 1 102 LEU QD . . 4.990 1.896 1.788 2.245 0.012 6 0 "[ . 1]" 1
1050 1 93 PHE HB3 1 102 LEU QB 4.820 . 4.820 3.262 3.072 3.410 . 0 0 "[ . 1]" 1
1051 1 93 PHE HB2 1 102 LEU QD 5.280 . 5.280 1.946 1.828 2.497 . 0 0 "[ . 1]" 1
1052 1 93 PHE HB2 1 102 LEU QB 4.230 . 4.230 2.145 1.930 2.303 . 0 0 "[ . 1]" 1
1053 1 93 PHE H 1 102 LEU H 4.150 . 4.150 3.484 3.129 3.854 . 0 0 "[ . 1]" 1
1054 1 93 PHE HB2 1 102 LEU H 5.040 . 5.040 4.877 4.670 5.065 0.025 7 0 "[ . 1]" 1
1055 1 93 PHE H 1 103 ASN HA 4.650 . 4.650 3.947 3.862 4.127 . 0 0 "[ . 1]" 1
1056 1 94 LYS HA 1 94 LYS HG3 4.050 . 4.050 2.736 2.203 3.591 . 0 0 "[ . 1]" 1
1057 1 94 LYS H 1 94 LYS QB 3.260 . 3.260 2.804 2.683 2.878 . 0 0 "[ . 1]" 1
1058 1 94 LYS QE 1 94 LYS HG3 2.970 . 2.970 2.861 2.686 2.970 . 0 0 "[ . 1]" 1
1059 1 94 LYS QB 1 94 LYS QE 2.990 . 2.990 2.977 2.493 3.179 0.189 6 0 "[ . 1]" 1
1060 1 94 LYS QB 1 94 LYS HG3 2.430 . 2.430 2.363 2.132 2.512 0.082 2 0 "[ . 1]" 1
1061 1 94 LYS H 1 94 LYS HG3 4.800 . 4.800 4.566 4.245 4.675 . 0 0 "[ . 1]" 1
1062 1 94 LYS HA 1 95 ARG H 2.890 . 2.890 2.159 2.131 2.198 . 0 0 "[ . 1]" 1
1063 1 94 LYS HG3 1 95 ARG H 5.200 . 5.200 3.541 2.286 5.266 0.066 10 0 "[ . 1]" 1
1064 1 94 LYS QB 1 95 ARG H 3.520 . 3.520 3.478 3.234 3.622 0.102 3 0 "[ . 1]" 1
1065 1 94 LYS QE 1 99 GLY H 4.800 . 4.800 4.856 4.818 4.892 0.092 5 0 "[ . 1]" 1
1066 1 94 LYS QD 1 99 GLY HA3 4.840 . 4.840 3.780 3.394 4.088 . 0 0 "[ . 1]" 1
1067 1 94 LYS QB 1 99 GLY HA3 4.310 . 4.310 4.360 4.331 4.379 0.069 7 0 "[ . 1]" 1
1068 1 94 LYS QD 1 99 GLY HA2 4.780 . 4.780 3.348 2.653 3.806 . 0 0 "[ . 1]" 1
1069 1 94 LYS QB 1 99 GLY HA2 4.380 . 4.380 3.200 2.981 3.341 . 0 0 "[ . 1]" 1
1070 1 94 LYS QD 1 100 ASN HB2 5.120 . 5.120 4.749 4.239 5.351 0.231 6 0 "[ . 1]" 1
1071 1 94 LYS QB 1 100 ASN H 5.110 . 5.110 4.285 3.098 4.527 . 0 0 "[ . 1]" 1
1072 1 94 LYS QE 1 101 GLU HA 5.330 . 5.330 3.829 2.211 4.189 . 0 0 "[ . 1]" 1
1073 1 94 LYS QE 1 101 GLU HG3 4.530 . 4.530 4.182 3.609 4.546 0.016 5 0 "[ . 1]" 1
1074 1 94 LYS QE 1 101 GLU HG2 4.670 . 4.670 3.458 2.932 3.946 . 0 0 "[ . 1]" 1
1075 1 94 LYS QD 1 101 GLU HA 3.050 . 3.050 2.224 1.855 3.209 0.159 6 0 "[ . 1]" 1
1076 1 94 LYS HA 1 101 GLU HA 3.910 . 3.910 3.570 2.980 3.867 . 0 0 "[ . 1]" 1
1077 1 94 LYS HG3 1 101 GLU HG2 5.350 . 5.350 4.957 3.975 5.520 0.170 6 0 "[ . 1]" 1
1078 1 94 LYS QE 1 101 GLU H 4.460 . 4.460 4.256 2.078 4.517 0.057 4 0 "[ . 1]" 1
1079 1 94 LYS HA 1 102 LEU H 3.870 . 3.870 3.816 3.551 3.936 0.066 3 0 "[ . 1]" 1
1080 1 94 LYS QB 1 102 LEU H 4.750 . 4.750 4.621 4.454 4.834 0.084 1 0 "[ . 1]" 1
1081 1 95 ARG H 1 95 ARG HB3 3.840 . 3.840 3.508 3.359 3.612 . 0 0 "[ . 1]" 1
1082 1 95 ARG H 1 95 ARG HG2 4.390 . 4.390 3.478 2.063 4.360 . 0 0 "[ . 1]" 1
1083 1 95 ARG H 1 95 ARG HG3 3.850 . 3.850 3.207 2.897 3.471 . 0 0 "[ . 1]" 1
1084 1 95 ARG HA 1 95 ARG QD 5.070 . 5.070 3.780 2.739 4.040 . 0 0 "[ . 1]" 1
1085 1 95 ARG H 1 95 ARG QG 3.790 . 3.790 2.916 2.031 3.342 . 0 0 "[ . 1]" 1
1086 1 95 ARG H 1 95 ARG HB2 3.560 . 3.560 2.271 2.130 2.669 . 0 0 "[ . 1]" 1
1087 1 95 ARG HA 1 95 ARG HG3 3.870 . 3.870 3.281 2.515 3.851 . 0 0 "[ . 1]" 1
1088 1 95 ARG HA 1 96 THR HB 4.090 . 4.090 4.139 4.133 4.146 0.056 4 0 "[ . 1]" 1
1089 1 95 ARG QB 1 96 THR HB 4.690 . 4.690 4.721 4.701 4.747 0.057 6 0 "[ . 1]" 1
1090 1 95 ARG HB2 1 96 THR H 4.690 . 4.690 4.091 3.704 4.271 . 0 0 "[ . 1]" 1
1091 1 95 ARG QD 1 96 THR H 5.310 . 5.310 4.491 3.867 5.110 . 0 0 "[ . 1]" 1
1092 1 95 ARG QB 1 96 THR H 4.690 . 4.690 2.878 2.641 3.164 . 0 0 "[ . 1]" 1
1093 1 95 ARG HA 1 96 THR H 3.310 . 3.310 2.200 2.119 2.269 . 0 0 "[ . 1]" 1
1094 1 95 ARG HB3 1 96 THR H 5.350 . 5.350 2.942 2.682 3.260 . 0 0 "[ . 1]" 1
1095 1 95 ARG HG3 1 97 ASP HB3 5.230 . 5.230 5.206 4.865 5.260 0.030 6 0 "[ . 1]" 1
1096 1 95 ARG HB3 1 97 ASP H 5.310 . 5.310 2.435 2.290 2.770 . 0 0 "[ . 1]" 1
1097 1 95 ARG HA 1 97 ASP H 4.000 . 4.000 3.852 3.671 3.989 . 0 0 "[ . 1]" 1
1098 1 95 ARG HB2 1 97 ASP H 4.570 . 4.570 3.850 3.199 4.096 . 0 0 "[ . 1]" 1
1099 1 95 ARG QB 1 97 ASP HB3 4.720 . 4.720 2.822 2.501 3.142 . 0 0 "[ . 1]" 1
1100 1 95 ARG HB2 1 98 ASN H 4.300 . 4.300 3.926 3.322 4.325 0.025 6 0 "[ . 1]" 1
1101 1 95 ARG HB2 1 99 GLY H 4.700 . 4.700 4.427 3.607 4.715 0.015 6 0 "[ . 1]" 1
1102 1 95 ARG QB 1 100 ASN H 3.820 . 3.820 2.522 2.230 3.054 . 0 0 "[ . 1]" 1
1103 1 95 ARG QD 1 100 ASN HB3 4.940 . 4.940 4.822 4.380 4.991 0.051 4 0 "[ . 1]" 1
1104 1 95 ARG HB3 1 100 ASN H 4.620 . 4.620 3.691 3.403 4.143 . 0 0 "[ . 1]" 1
1105 1 95 ARG QD 1 100 ASN HB2 4.440 . 4.440 3.795 3.493 3.929 . 0 0 "[ . 1]" 1
1106 1 95 ARG HB2 1 100 ASN H 4.020 . 4.020 2.581 2.247 3.197 . 0 0 "[ . 1]" 1
1107 1 95 ARG QD 1 119 TYR HE1 4.740 . 4.740 4.001 3.679 4.377 . 0 0 "[ . 1]" 1
1108 1 95 ARG QD 1 119 TYR HE2 4.760 . 4.760 3.733 3.384 4.557 . 0 0 "[ . 1]" 1
1109 1 95 ARG QD 1 119 TYR QE 3.770 . 3.770 3.410 3.127 3.810 0.040 4 0 "[ . 1]" 1
1110 1 96 THR HA 1 96 THR HB 2.860 . 2.860 2.799 2.627 2.927 0.067 6 0 "[ . 1]" 1
1111 1 96 THR H 1 96 THR MG 3.620 . 3.620 3.108 2.589 3.492 . 0 0 "[ . 1]" 1
1112 1 96 THR H 1 96 THR HB 4.010 . 4.010 2.140 2.046 2.275 . 0 0 "[ . 1]" 1
1113 1 96 THR HA 1 96 THR MG 3.220 . 3.220 2.989 2.802 3.188 . 0 0 "[ . 1]" 1
1114 1 96 THR MG 1 97 ASP H 5.500 . 5.500 2.841 2.280 3.332 . 0 0 "[ . 1]" 1
1115 1 96 THR H 1 97 ASP H 3.570 . 3.570 2.482 2.402 2.699 . 0 0 "[ . 1]" 1
1116 1 96 THR HB 1 97 ASP H 4.330 . 4.330 3.555 3.347 3.856 . 0 0 "[ . 1]" 1
1117 1 96 THR HA 1 99 GLY H 4.540 . 4.540 3.388 3.041 4.545 0.005 5 0 "[ . 1]" 1
1118 1 97 ASP H 1 97 ASP HB2 3.780 . 3.780 2.463 2.322 2.532 . 0 0 "[ . 1]" 1
1119 1 97 ASP H 1 97 ASP HB3 4.020 . 4.020 2.601 2.516 2.768 . 0 0 "[ . 1]" 1
1120 1 97 ASP H 1 99 GLY H 4.710 . 4.710 4.011 3.875 4.127 . 0 0 "[ . 1]" 1
1121 1 98 ASN H 1 99 GLY HA3 4.580 . 4.580 4.503 4.326 4.580 0.000 1 0 "[ . 1]" 1
1122 1 98 ASN H 1 99 GLY H 3.330 . 3.330 2.001 1.889 2.079 . 0 0 "[ . 1]" 1
1123 1 100 ASN H 1 100 ASN HB3 3.730 . 3.730 3.592 3.548 3.672 . 0 0 "[ . 1]" 1
1124 1 100 ASN H 1 100 ASN HB2 3.320 . 3.320 2.360 2.261 2.440 . 0 0 "[ . 1]" 1
1125 1 100 ASN HB2 1 101 GLU H 4.200 . 4.200 4.165 4.060 4.326 0.126 6 0 "[ . 1]" 1
1126 1 100 ASN H 1 101 GLU H 4.780 . 4.780 4.532 4.154 4.596 . 0 0 "[ . 1]" 1
1127 1 100 ASN HA 1 101 GLU QB 4.800 . 4.800 4.338 4.113 4.569 . 0 0 "[ . 1]" 1
1128 1 100 ASN HB3 1 101 GLU H 3.610 . 3.610 3.123 2.928 3.643 0.033 6 0 "[ . 1]" 1
1129 1 100 ASN HA 1 101 GLU H 2.760 . 2.760 2.192 2.125 2.232 . 0 0 "[ . 1]" 1
1130 1 100 ASN HA 1 101 GLU HG2 5.150 . 5.150 4.674 3.593 5.050 . 0 0 "[ . 1]" 1
1131 1 100 ASN HB2 1 119 TYR QD 4.660 . 4.660 4.067 3.916 4.170 . 0 0 "[ . 1]" 1
1132 1 100 ASN HB2 1 119 TYR HE2 4.980 . 4.980 3.864 1.815 5.041 0.061 4 0 "[ . 1]" 1
1133 1 100 ASN HB3 1 119 TYR HE2 4.530 . 4.530 3.748 2.209 4.498 . 0 0 "[ . 1]" 1
1134 1 100 ASN HB3 1 119 TYR HE1 4.470 . 4.470 2.954 2.021 4.508 0.038 2 0 "[ . 1]" 1
1135 1 100 ASN HB3 1 119 TYR QE 3.370 . 3.370 2.299 2.018 2.619 . 0 0 "[ . 1]" 1
1136 1 100 ASN HB2 1 119 TYR HE1 5.000 . 5.000 2.825 1.798 5.004 0.004 2 0 "[ . 1]" 1
1137 1 100 ASN HB2 1 119 TYR QE 3.550 . 3.550 1.885 1.797 1.974 0.003 6 0 "[ . 1]" 1
1138 1 100 ASN HB3 1 120 GLU HG3 4.750 . 4.750 2.524 1.871 4.444 . 0 0 "[ . 1]" 1
1139 1 100 ASN HB2 1 120 GLU HG2 4.490 . 4.490 4.189 3.753 4.512 0.022 4 0 "[ . 1]" 1
1140 1 101 GLU H 1 101 GLU HG3 3.700 . 3.700 3.018 1.986 3.724 0.024 10 0 "[ . 1]" 1
1141 1 101 GLU QB 1 101 GLU HG3 2.770 . 2.770 2.236 2.121 2.430 . 0 0 "[ . 1]" 1
1142 1 101 GLU H 1 101 GLU QB 2.870 . 2.870 2.344 2.095 2.666 . 0 0 "[ . 1]" 1
1143 1 101 GLU H 1 101 GLU HG2 3.400 . 3.400 3.205 1.898 3.443 0.043 5 0 "[ . 1]" 1
1144 1 101 GLU HG2 1 102 LEU H 4.570 . 4.570 4.206 3.760 4.610 0.040 6 0 "[ . 1]" 1
1145 1 101 GLU H 1 102 LEU QB 5.190 . 5.190 5.147 5.106 5.218 0.028 6 0 "[ . 1]" 1
1146 1 101 GLU HA 1 102 LEU QB 4.240 . 4.240 3.882 3.805 3.944 . 0 0 "[ . 1]" 1
1147 1 101 GLU HG3 1 102 LEU H 4.900 . 4.900 4.931 4.659 4.990 0.090 5 0 "[ . 1]" 1
1148 1 101 GLU HA 1 102 LEU H 2.970 . 2.970 2.115 2.036 2.212 . 0 0 "[ . 1]" 1
1149 1 101 GLU QB 1 102 LEU H 3.670 . 3.670 3.022 2.700 3.229 . 0 0 "[ . 1]" 1
1150 1 101 GLU H 1 119 TYR QE 4.930 . 4.930 4.425 3.925 4.900 . 0 0 "[ . 1]" 1
1151 1 102 LEU H 1 102 LEU HG 5.080 . 5.080 4.668 4.625 4.915 . 0 0 "[ . 1]" 1
1152 1 102 LEU H 1 102 LEU QB . . 3.810 2.619 2.525 2.672 . 0 0 "[ . 1]" 1
1153 1 102 LEU HA 1 102 LEU QD 4.280 . 4.280 2.957 2.191 3.061 . 0 0 "[ . 1]" 1
1154 1 102 LEU HG 1 103 ASN H 4.850 . 4.850 3.390 2.865 4.903 0.053 5 0 "[ . 1]" 1
1155 1 102 LEU HA 1 103 ASN H 3.030 . 3.030 2.164 2.147 2.185 . 0 0 "[ . 1]" 1
1156 1 102 LEU QB 1 103 ASN H 4.730 . 4.730 3.863 3.752 3.897 . 0 0 "[ . 1]" 1
1157 1 102 LEU QD 1 103 ASN H . . 4.700 3.405 2.433 3.697 . 0 0 "[ . 1]" 1
1158 1 102 LEU QD 1 103 ASN HA 5.200 . 5.200 3.802 3.151 4.040 . 0 0 "[ . 1]" 1
1159 1 102 LEU QD 1 117 TYR HD2 4.990 . 4.990 3.217 2.893 3.563 . 0 0 "[ . 1]" 1
1160 1 102 LEU HA 1 119 TYR QD 3.860 . 3.860 2.846 2.541 3.320 . 0 0 "[ . 1]" 1
1161 1 102 LEU QD 1 119 TYR QD 4.070 . 4.070 2.141 1.885 2.366 . 0 0 "[ . 1]" 1
1162 1 102 LEU QB 1 119 TYR HB3 4.510 . 4.510 4.429 4.410 4.452 . 0 0 "[ . 1]" 1
1163 1 102 LEU QD 1 119 TYR HB2 4.630 . 4.630 1.863 1.627 1.970 0.173 5 0 "[ . 1]" 1
1164 1 102 LEU QD 1 119 TYR HB3 4.580 . 4.580 2.568 2.384 2.711 . 0 0 "[ . 1]" 1
1165 1 102 LEU HG 1 119 TYR HB3 5.300 . 5.300 3.555 3.302 5.131 . 0 0 "[ . 1]" 1
1166 1 102 LEU QB 1 119 TYR QD 4.650 . 4.650 1.738 1.700 1.795 0.100 10 0 "[ . 1]" 1
1167 1 103 ASN H 1 103 ASN HB3 4.100 . 4.100 3.730 3.703 3.799 . 0 0 "[ . 1]" 1
1168 1 103 ASN H 1 103 ASN HB2 3.980 . 3.980 2.736 2.652 2.831 . 0 0 "[ . 1]" 1
1169 1 103 ASN HB2 1 104 THR H 4.000 . 4.000 3.652 3.530 3.729 . 0 0 "[ . 1]" 1
1170 1 103 ASN HB3 1 104 THR H 4.250 . 4.250 2.788 2.684 2.908 . 0 0 "[ . 1]" 1
1171 1 103 ASN H 1 104 THR H 4.460 . 4.460 4.513 4.480 4.525 0.065 10 0 "[ . 1]" 1
1172 1 103 ASN HA 1 104 THR H 2.980 . 2.980 2.240 2.203 2.264 . 0 0 "[ . 1]" 1
1173 1 103 ASN HB3 1 105 VAL QG 3.740 . 3.740 3.579 3.375 3.763 0.023 3 0 "[ . 1]" 1
1174 1 103 ASN HB2 1 118 VAL HB 3.850 . 3.850 3.917 3.888 3.933 0.083 7 0 "[ . 1]" 1
1175 1 104 THR HA 1 105 VAL QG 4.570 . 4.570 3.564 3.448 3.637 . 0 0 "[ . 1]" 1
1176 1 104 THR HA 1 105 VAL HB 4.800 . 4.800 4.735 4.694 4.795 . 0 0 "[ . 1]" 1
1177 1 104 THR HB 1 117 TYR QD 4.340 . 4.340 2.370 1.909 3.534 . 0 0 "[ . 1]" 1
1178 1 104 THR HA 1 117 TYR HA 3.950 . 3.950 2.125 1.967 2.285 . 0 0 "[ . 1]" 1
1179 1 104 THR HB 1 117 TYR HD2 4.820 . 4.820 2.375 1.910 3.546 . 0 0 "[ . 1]" 1
1180 1 104 THR HB 1 117 TYR HA 4.100 . 4.100 3.791 3.109 4.155 0.055 3 0 "[ . 1]" 1
1181 1 105 VAL HA 1 105 VAL QG 3.300 . 3.300 2.061 2.034 2.116 . 0 0 "[ . 1]" 1
1182 1 105 VAL QG 1 106 ARG H 3.580 . 3.580 2.634 2.466 2.891 . 0 0 "[ . 1]" 1
1183 1 105 VAL HA 1 106 ARG H 3.100 . 3.100 2.144 2.130 2.164 . 0 0 "[ . 1]" 1
1184 1 105 VAL HB 1 116 THR H 3.960 . 3.960 3.644 3.145 3.966 0.006 1 0 "[ . 1]" 1
1185 1 105 VAL QG 1 116 THR HB 3.750 . 3.750 3.519 2.991 3.762 0.012 6 0 "[ . 1]" 1
1186 1 105 VAL QG 1 116 THR H 5.300 . 5.300 4.095 3.764 4.286 . 0 0 "[ . 1]" 1
1187 1 105 VAL HB 1 116 THR HB 3.320 . 3.320 3.104 2.646 3.339 0.019 3 0 "[ . 1]" 1
1188 1 107 GLU HB2 1 107 GLU QG 2.660 . 2.660 2.235 2.144 2.406 . 0 0 "[ . 1]" 1
1189 1 107 GLU H 1 107 GLU QG 4.570 . 4.570 2.346 1.953 3.043 . 0 0 "[ . 1]" 1
1190 1 107 GLU H 1 107 GLU HB2 4.110 . 4.110 3.240 2.810 3.787 . 0 0 "[ . 1]" 1
1191 1 107 GLU HB3 1 107 GLU QG 2.700 . 2.700 2.413 2.156 2.522 . 0 0 "[ . 1]" 1
1192 1 107 GLU HB2 1 108 ILE H 3.750 . 3.750 3.296 2.564 3.794 0.044 7 0 "[ . 1]" 1
1193 1 107 GLU HA 1 108 ILE H 3.140 . 3.140 2.266 2.168 2.356 . 0 0 "[ . 1]" 1
1194 1 107 GLU HB3 1 108 ILE H 4.240 . 4.240 3.366 2.731 4.155 . 0 0 "[ . 1]" 1
1195 1 107 GLU H 1 108 ILE H 4.550 . 4.550 4.467 4.351 4.525 . 0 0 "[ . 1]" 1
1196 1 107 GLU HB3 1 109 ILE MD 5.360 . 5.360 5.044 4.550 5.373 0.013 8 0 "[ . 1]" 1
1197 1 107 GLU HB2 1 109 ILE H 5.040 . 5.040 4.496 4.032 4.892 . 0 0 "[ . 1]" 1
1198 1 107 GLU HA 1 113 LEU MD1 5.270 . 5.270 3.602 3.446 3.957 . 0 0 "[ . 1]" 1
1199 1 107 GLU HB2 1 113 LEU MD1 4.950 . 4.950 4.702 4.001 4.956 0.006 6 0 "[ . 1]" 1
1200 1 107 GLU H 1 113 LEU MD1 4.520 . 4.520 3.493 2.601 4.330 . 0 0 "[ . 1]" 1
1201 1 107 GLU QG 1 114 VAL MG2 4.020 . 4.020 3.935 3.657 4.063 0.043 7 0 "[ . 1]" 1
1202 1 107 GLU QG 1 114 VAL MG1 4.880 . 4.880 2.393 1.767 3.151 0.033 8 0 "[ . 1]" 1
1203 1 107 GLU HA 1 114 VAL H 5.410 . 5.410 5.067 4.896 5.390 . 0 0 "[ . 1]" 1
1204 1 107 GLU H 1 114 VAL MG1 5.130 . 5.130 2.662 2.322 3.070 . 0 0 "[ . 1]" 1
1205 1 107 GLU H 1 114 VAL H 4.150 . 4.150 3.337 3.060 3.631 . 0 0 "[ . 1]" 1
1206 1 108 ILE H 1 108 ILE MG 4.660 . 4.660 3.798 3.753 3.825 . 0 0 "[ . 1]" 1
1207 1 108 ILE HA 1 108 ILE MD 4.440 . 4.440 2.282 2.185 2.470 . 0 0 "[ . 1]" 1
1208 1 108 ILE H 1 108 ILE MD 5.500 . 5.500 3.475 3.267 3.918 . 0 0 "[ . 1]" 1
1209 1 108 ILE H 1 108 ILE HB 3.270 . 3.270 2.634 2.404 2.752 . 0 0 "[ . 1]" 1
1210 1 108 ILE MD 1 108 ILE MG 3.660 . 3.660 1.846 1.786 1.999 0.014 10 0 "[ . 1]" 1
1211 1 108 ILE H 1 108 ILE QG 3.720 . 3.720 2.089 1.937 2.552 . 0 0 "[ . 1]" 1
1212 1 108 ILE MG 1 109 ILE H 3.650 . 3.650 3.411 3.156 3.596 . 0 0 "[ . 1]" 1
1213 1 108 ILE H 1 109 ILE MD 5.500 . 5.500 5.505 5.449 5.538 0.038 9 0 "[ . 1]" 1
1214 1 108 ILE MD 1 109 ILE H 5.430 . 5.430 4.210 4.078 4.287 . 0 0 "[ . 1]" 1
1215 1 108 ILE HA 1 109 ILE H 3.120 . 3.120 2.256 2.195 2.324 . 0 0 "[ . 1]" 1
1216 1 108 ILE MD 1 109 ILE MG 5.340 . 5.340 5.305 5.041 5.401 0.061 8 0 "[ . 1]" 1
1217 1 108 ILE HA 1 109 ILE MG 4.540 . 4.540 4.153 4.069 4.261 . 0 0 "[ . 1]" 1
1218 1 108 ILE HA 1 109 ILE HB 5.080 . 5.080 4.610 4.517 4.687 . 0 0 "[ . 1]" 1
1219 1 108 ILE HB 1 109 ILE H 5.180 . 5.180 4.403 4.336 4.525 . 0 0 "[ . 1]" 1
1220 1 108 ILE MG 1 110 GLY H 4.840 . 4.840 3.568 2.581 4.284 . 0 0 "[ . 1]" 1
1221 1 108 ILE MG 1 111 ASP H 4.970 . 4.970 4.999 4.932 5.050 0.080 4 0 "[ . 1]" 1
1222 1 108 ILE MG 1 111 ASP HA 4.320 . 4.320 4.009 3.738 4.345 0.025 1 0 "[ . 1]" 1
1223 1 108 ILE MG 1 112 GLU H 4.350 . 4.350 3.970 3.745 4.363 0.013 7 0 "[ . 1]" 1
1224 1 108 ILE HA 1 113 LEU HA 4.200 . 4.200 2.690 2.536 2.915 . 0 0 "[ . 1]" 1
1225 1 108 ILE HB 1 113 LEU MD1 4.920 . 4.920 4.180 3.862 4.723 . 0 0 "[ . 1]" 1
1226 1 108 ILE H 1 113 LEU MD1 5.500 . 5.500 3.333 2.964 3.636 . 0 0 "[ . 1]" 1
1227 1 108 ILE MD 1 113 LEU MD1 4.050 . 4.050 1.830 1.733 2.489 0.067 6 0 "[ . 1]" 1
1228 1 108 ILE HA 1 113 LEU MD1 5.110 . 5.110 1.998 1.851 2.505 . 0 0 "[ . 1]" 1
1229 1 108 ILE MG 1 113 LEU MD1 5.350 . 5.350 3.245 2.987 3.930 . 0 0 "[ . 1]" 1
1230 1 108 ILE MD 1 113 LEU HA 4.660 . 4.660 3.799 3.548 4.012 . 0 0 "[ . 1]" 1
1231 1 108 ILE HA 1 114 VAL MG1 5.500 . 5.500 4.436 4.191 4.566 . 0 0 "[ . 1]" 1
1232 1 108 ILE MG 1 114 VAL H 5.500 . 5.500 5.394 5.303 5.501 0.001 5 0 "[ . 1]" 1
1233 1 108 ILE MD 1 114 VAL H 5.090 . 5.090 5.097 5.066 5.128 0.038 5 0 "[ . 1]" 1
1234 1 108 ILE HA 1 114 VAL H 3.820 . 3.820 3.854 3.840 3.869 0.049 8 0 "[ . 1]" 1
1235 1 109 ILE H 1 109 ILE QG 4.090 . 4.090 4.113 4.102 4.134 0.044 7 0 "[ . 1]" 1
1236 1 109 ILE HA 1 109 ILE MD 3.710 . 3.710 2.041 1.892 2.418 . 0 0 "[ . 1]" 1
1237 1 109 ILE HA 1 109 ILE MG 3.100 . 3.100 3.164 3.160 3.172 0.072 6 0 "[ . 1]" 1
1238 1 109 ILE H 1 109 ILE HB 3.490 . 3.490 2.450 2.365 2.537 . 0 0 "[ . 1]" 1
1239 1 109 ILE H 1 109 ILE MD 4.950 . 4.950 3.853 3.695 3.965 . 0 0 "[ . 1]" 1
1240 1 109 ILE HB 1 109 ILE MD 3.360 . 3.360 2.348 2.152 2.437 . 0 0 "[ . 1]" 1
1241 1 109 ILE MG 1 110 GLY HA3 5.330 . 5.330 3.746 3.579 3.982 . 0 0 "[ . 1]" 1
1242 1 109 ILE HA 1 110 GLY HA2 4.380 . 4.380 4.435 4.397 4.496 0.116 7 0 "[ . 1]" 1
1243 1 109 ILE HA 1 110 GLY H 2.780 . 2.780 2.314 2.163 2.554 . 0 0 "[ . 1]" 1
1244 1 109 ILE QG 1 110 GLY H 5.260 . 5.260 3.596 2.927 4.450 . 0 0 "[ . 1]" 1
1245 1 109 ILE MD 1 110 GLY H 3.850 . 3.850 3.481 2.894 3.885 0.035 7 0 "[ . 1]" 1
1246 1 109 ILE HB 1 110 GLY H 4.670 . 4.670 4.536 4.450 4.617 . 0 0 "[ . 1]" 1
1247 1 109 ILE MG 1 110 GLY H 3.770 . 3.770 3.776 3.750 3.804 0.034 1 0 "[ . 1]" 1
1248 1 109 ILE MG 1 110 GLY HA2 4.620 . 4.620 4.768 4.697 4.866 0.246 1 0 "[ . 1]" 1
1249 1 109 ILE H 1 112 GLU QB 5.060 . 5.060 4.522 4.293 4.712 . 0 0 "[ . 1]" 1
1250 1 109 ILE H 1 112 GLU H 4.300 . 4.300 4.328 4.310 4.353 0.053 7 0 "[ . 1]" 1
1251 1 109 ILE MG 1 113 LEU MD1 4.660 . 4.660 4.584 4.291 4.719 0.059 5 0 "[ . 1]" 1
1252 1 109 ILE HA 1 114 VAL MG1 3.890 . 3.890 3.886 3.816 3.935 0.045 3 0 "[ . 1]" 1
1253 1 109 ILE H 1 114 VAL MG1 4.200 . 4.200 3.217 2.913 3.369 . 0 0 "[ . 1]" 1
1254 1 109 ILE H 1 114 VAL H 5.280 . 5.280 2.853 2.712 3.150 . 0 0 "[ . 1]" 1
1255 1 109 ILE QG 1 114 VAL MG1 3.200 . 3.200 3.185 3.028 3.243 0.043 7 0 "[ . 1]" 1
1256 1 109 ILE MD 1 114 VAL MG1 2.980 . 2.980 2.779 2.246 2.993 0.013 7 0 "[ . 1]" 1
1257 1 110 GLY HA3 1 111 ASP HA 4.800 . 4.800 4.383 4.372 4.391 . 0 0 "[ . 1]" 1
1258 1 110 GLY HA3 1 111 ASP H 3.320 . 3.320 2.102 2.079 2.118 . 0 0 "[ . 1]" 1
1259 1 110 GLY HA2 1 111 ASP H 3.040 . 3.040 3.163 3.137 3.194 0.154 10 0 "[ . 1]" 1
1260 1 110 GLY HA3 1 112 GLU H 5.370 . 5.370 3.326 3.286 3.378 . 0 0 "[ . 1]" 1
1261 1 110 GLY HA2 1 112 GLU H 4.360 . 4.360 4.303 4.222 4.364 0.004 10 0 "[ . 1]" 1
1262 1 111 ASP H 1 111 ASP HB3 3.600 . 3.600 2.963 2.747 3.570 . 0 0 "[ . 1]" 1
1263 1 111 ASP H 1 112 GLU H 3.400 . 3.400 2.490 2.393 2.587 . 0 0 "[ . 1]" 1
1264 1 111 ASP HB3 1 112 GLU H 5.050 . 5.050 4.081 3.516 4.550 . 0 0 "[ . 1]" 1
1265 1 111 ASP H 1 112 GLU QB 4.870 . 4.870 4.268 3.960 4.692 . 0 0 "[ . 1]" 1
1266 1 112 GLU HA 1 112 GLU HG3 3.880 . 3.880 3.224 2.741 3.376 . 0 0 "[ . 1]" 1
1267 1 112 GLU H 1 112 GLU HG2 3.810 . 3.810 3.856 3.824 3.915 0.105 7 0 "[ . 1]" 1
1268 1 112 GLU H 1 112 GLU HG3 4.020 . 4.020 3.233 2.641 4.039 0.019 7 0 "[ . 1]" 1
1269 1 112 GLU HA 1 112 GLU HG2 3.980 . 3.980 2.576 2.275 3.800 . 0 0 "[ . 1]" 1
1270 1 112 GLU H 1 112 GLU QB 3.310 . 3.310 2.610 2.486 2.806 . 0 0 "[ . 1]" 1
1271 1 112 GLU HA 1 113 LEU H 3.160 . 3.160 2.535 2.429 2.577 . 0 0 "[ . 1]" 1
1272 1 112 GLU QB 1 113 LEU H 4.040 . 4.040 2.144 2.064 2.363 . 0 0 "[ . 1]" 1
1273 1 112 GLU HG3 1 113 LEU H 4.730 . 4.730 4.707 4.084 4.795 0.065 9 0 "[ . 1]" 1
1274 1 112 GLU HA 1 127 ILE MG 5.360 . 5.360 5.156 4.813 5.395 0.035 4 0 "[ . 1]" 1
1275 1 112 GLU QB 1 127 ILE MG 3.660 . 3.660 2.950 2.620 3.172 . 0 0 "[ . 1]" 1
1276 1 112 GLU HG2 1 127 ILE MG 5.080 . 5.080 4.632 3.860 4.975 . 0 0 "[ . 1]" 1
1277 1 112 GLU HA 1 128 PHE HE2 4.250 . 4.250 4.262 4.068 4.333 0.083 8 0 "[ . 1]" 1
1278 1 112 GLU HG2 1 129 LYS HA 5.140 . 5.140 3.198 2.542 4.975 . 0 0 "[ . 1]" 1
1279 1 112 GLU HA 1 129 LYS HA 4.850 . 4.850 3.514 3.192 3.961 . 0 0 "[ . 1]" 1
1280 1 112 GLU HG2 1 129 LYS HG2 5.500 . 5.500 4.603 3.133 5.556 0.056 3 0 "[ . 1]" 1
1281 1 113 LEU H 1 113 LEU HB2 3.910 . 3.910 2.592 2.441 2.877 . 0 0 "[ . 1]" 1
1282 1 113 LEU HA 1 113 LEU MD1 3.970 . 3.970 2.488 2.134 2.741 . 0 0 "[ . 1]" 1
1283 1 113 LEU HA 1 113 LEU HG 4.180 . 4.180 3.193 2.399 3.683 . 0 0 "[ . 1]" 1
1284 1 113 LEU H 1 113 LEU MD1 5.260 . 5.260 4.329 4.133 4.448 . 0 0 "[ . 1]" 1
1285 1 113 LEU HA 1 114 VAL H 3.030 . 3.030 2.144 2.127 2.192 . 0 0 "[ . 1]" 1
1286 1 113 LEU MD1 1 114 VAL H 3.950 . 3.950 3.197 1.928 3.770 . 0 0 "[ . 1]" 1
1287 1 113 LEU MD1 1 114 VAL MG1 5.050 . 5.050 4.039 3.004 4.536 . 0 0 "[ . 1]" 1
1288 1 113 LEU HA 1 114 VAL MG1 4.130 . 4.130 3.693 3.593 3.740 . 0 0 "[ . 1]" 1
1289 1 113 LEU MD1 1 115 GLN QG 4.970 . 4.970 3.960 2.575 5.011 0.041 3 0 "[ . 1]" 1
1290 1 113 LEU H 1 127 ILE MG 5.500 . 5.500 3.907 3.723 4.110 . 0 0 "[ . 1]" 1
1291 1 113 LEU HB2 1 128 PHE HD2 4.690 . 4.690 1.874 1.788 1.980 0.012 2 0 "[ . 1]" 1
1292 1 113 LEU HB2 1 128 PHE HD1 5.220 . 5.220 5.000 4.733 5.292 0.072 3 0 "[ . 1]" 1
1293 1 113 LEU H 1 128 PHE H 4.450 . 4.450 2.830 2.500 3.077 . 0 0 "[ . 1]" 1
1294 1 113 LEU HB2 1 128 PHE H 4.860 . 4.860 4.260 3.852 4.879 0.019 3 0 "[ . 1]" 1
1295 1 113 LEU HG 1 128 PHE HD2 4.830 . 4.830 3.944 3.074 4.836 0.006 9 0 "[ . 1]" 1
1296 1 113 LEU H 1 128 PHE HB2 4.670 . 4.670 4.062 3.692 4.458 . 0 0 "[ . 1]" 1
1297 1 113 LEU HB2 1 128 PHE HE2 4.990 . 4.990 3.826 3.586 3.966 . 0 0 "[ . 1]" 1
1298 1 113 LEU MD1 1 128 PHE HB3 5.210 . 5.210 4.343 4.113 4.499 . 0 0 "[ . 1]" 1
1299 1 113 LEU HB2 1 128 PHE HB2 4.010 . 4.010 3.529 3.191 3.971 . 0 0 "[ . 1]" 1
1300 1 113 LEU HB2 1 128 PHE HB3 4.340 . 4.340 2.197 1.843 2.757 . 0 0 "[ . 1]" 1
1301 1 113 LEU HG 1 128 PHE HB2 5.500 . 5.500 5.062 4.605 5.366 . 0 0 "[ . 1]" 1
1302 1 114 VAL H 1 114 VAL HB 3.290 . 3.290 3.017 2.959 3.142 . 0 0 "[ . 1]" 1
1303 1 114 VAL H 1 114 VAL MG2 4.360 . 4.360 3.833 3.785 3.853 . 0 0 "[ . 1]" 1
1304 1 114 VAL HA 1 114 VAL MG1 3.720 . 3.720 3.199 3.192 3.212 . 0 0 "[ . 1]" 1
1305 1 114 VAL H 1 114 VAL MG1 3.550 . 3.550 1.918 1.868 1.944 . 0 0 "[ . 1]" 1
1306 1 114 VAL HA 1 114 VAL MG2 3.590 . 3.590 2.328 2.265 2.444 . 0 0 "[ . 1]" 1
1307 1 114 VAL MG2 1 115 GLN H 4.000 . 4.000 2.949 2.557 3.143 . 0 0 "[ . 1]" 1
1308 1 114 VAL HA 1 115 GLN H 3.300 . 3.300 2.157 2.153 2.164 . 0 0 "[ . 1]" 1
1309 1 114 VAL MG2 1 125 LYS QB 4.180 . 4.180 3.927 3.535 4.188 0.008 5 0 "[ . 1]" 1
1310 1 114 VAL MG2 1 125 LYS QG 5.180 . 5.180 3.340 2.945 3.889 . 0 0 "[ . 1]" 1
1311 1 114 VAL MG2 1 126 ARG H 5.500 . 5.500 3.737 3.499 4.179 . 0 0 "[ . 1]" 1
1312 1 114 VAL HA 1 127 ILE HA 4.160 . 4.160 2.721 2.627 2.900 . 0 0 "[ . 1]" 1
1313 1 114 VAL HA 1 127 ILE H 5.000 . 5.000 5.066 5.050 5.076 0.076 9 0 "[ . 1]" 1
1314 1 114 VAL HA 1 127 ILE MG 4.450 . 4.450 3.845 3.521 4.449 . 0 0 "[ . 1]" 1
1315 1 114 VAL MG2 1 127 ILE HA 4.690 . 4.690 3.942 3.668 4.331 . 0 0 "[ . 1]" 1
1316 1 114 VAL HA 1 127 ILE MD 4.610 . 4.610 3.537 2.942 4.616 0.006 4 0 "[ . 1]" 1
1317 1 115 GLN QB 1 116 THR H 3.840 . 3.840 3.058 2.865 3.810 . 0 0 "[ . 1]" 1
1318 1 115 GLN HA 1 116 THR H 3.400 . 3.400 2.156 2.116 2.170 . 0 0 "[ . 1]" 1
1319 1 115 GLN H 1 125 LYS HA 5.120 . 5.120 4.919 4.700 5.082 . 0 0 "[ . 1]" 1
1320 1 115 GLN H 1 125 LYS QG 5.500 . 5.500 4.961 4.565 5.510 0.010 2 0 "[ . 1]" 1
1321 1 115 GLN QB 1 126 ARG HB2 3.310 . 3.310 3.359 3.331 3.386 0.076 5 0 "[ . 1]" 1
1322 1 115 GLN QB 1 126 ARG H 5.290 . 5.290 2.962 2.481 3.327 . 0 0 "[ . 1]" 1
1323 1 115 GLN H 1 126 ARG HA 5.500 . 5.500 4.644 4.536 4.743 . 0 0 "[ . 1]" 1
1324 1 115 GLN QB 1 126 ARG HB3 3.490 . 3.490 1.852 1.802 1.959 . 0 0 "[ . 1]" 1
1325 1 115 GLN H 1 127 ILE HA 4.710 . 4.710 3.434 3.195 3.755 . 0 0 "[ . 1]" 1
1326 1 116 THR H 1 116 THR HB 3.830 . 3.830 3.058 2.562 3.224 . 0 0 "[ . 1]" 1
1327 1 116 THR HA 1 116 THR MG 3.530 . 3.530 2.152 2.075 2.302 . 0 0 "[ . 1]" 1
1328 1 116 THR HA 1 117 TYR QD 4.360 . 4.360 3.098 2.949 3.364 . 0 0 "[ . 1]" 1
1329 1 116 THR HA 1 117 TYR HD1 4.950 . 4.950 3.105 2.952 3.376 . 0 0 "[ . 1]" 1
1330 1 116 THR HA 1 117 TYR HE1 5.500 . 5.500 4.414 4.278 4.586 . 0 0 "[ . 1]" 1
1331 1 116 THR HB 1 117 TYR H 4.550 . 4.550 4.074 3.970 4.332 . 0 0 "[ . 1]" 1
1332 1 116 THR MG 1 117 TYR H 3.520 . 3.520 3.090 2.996 3.201 . 0 0 "[ . 1]" 1
1333 1 116 THR HA 1 117 TYR H 3.100 . 3.100 2.147 2.140 2.154 . 0 0 "[ . 1]" 1
1334 1 116 THR MG 1 123 GLU HA 5.270 . 5.270 4.994 4.437 5.272 0.002 2 0 "[ . 1]" 1
1335 1 116 THR MG 1 123 GLU HG2 3.870 . 3.870 2.994 2.439 3.292 . 0 0 "[ . 1]" 1
1336 1 116 THR HA 1 123 GLU HG3 5.460 . 5.460 5.518 5.496 5.558 0.098 8 0 "[ . 1]" 1
1337 1 116 THR HB 1 123 GLU HG2 5.190 . 5.190 5.192 5.098 5.212 0.022 8 0 "[ . 1]" 1
1338 1 116 THR MG 1 123 GLU HG3 4.150 . 4.150 3.832 3.298 4.030 . 0 0 "[ . 1]" 1
1339 1 116 THR HA 1 124 ALA MB 5.500 . 5.500 4.951 4.711 5.100 . 0 0 "[ . 1]" 1
1340 1 116 THR MG 1 124 ALA HA 5.500 . 5.500 5.032 4.902 5.296 . 0 0 "[ . 1]" 1
1341 1 116 THR MG 1 125 LYS QB 4.770 . 4.770 3.648 3.462 4.169 . 0 0 "[ . 1]" 1
1342 1 116 THR HA 1 125 LYS QG 4.730 . 4.730 2.410 2.001 2.985 . 0 0 "[ . 1]" 1
1343 1 116 THR HA 1 125 LYS QD 4.650 . 4.650 4.072 2.929 4.653 0.003 7 0 "[ . 1]" 1
1344 1 116 THR MG 1 125 LYS QG 4.230 . 4.230 1.893 1.761 2.308 0.039 2 0 "[ . 1]" 1
1345 1 116 THR MG 1 125 LYS QE 3.450 . 3.450 2.389 1.806 3.451 0.001 4 0 "[ . 1]" 1
1346 1 116 THR HA 1 125 LYS HA 3.540 . 3.540 2.133 2.055 2.238 . 0 0 "[ . 1]" 1
1347 1 116 THR HB 1 125 LYS HA 4.940 . 4.940 4.984 4.951 5.053 0.113 8 0 "[ . 1]" 1
1348 1 116 THR MG 1 125 LYS HA 4.880 . 4.880 3.199 3.017 3.474 . 0 0 "[ . 1]" 1
1349 1 116 THR HA 1 126 ARG H 5.320 . 5.320 3.734 3.406 3.905 . 0 0 "[ . 1]" 1
1350 1 117 TYR HA 1 117 TYR QD 4.430 . 4.430 3.276 3.223 3.310 . 0 0 "[ . 1]" 1
1351 1 117 TYR H 1 117 TYR QD 4.000 . 4.000 2.028 1.912 2.182 . 0 0 "[ . 1]" 1
1352 1 117 TYR HA 1 117 TYR HD1 4.670 . 4.670 3.849 3.732 4.033 . 0 0 "[ . 1]" 1
1353 1 117 TYR H 1 118 VAL HA 4.970 . 4.970 5.036 5.009 5.065 0.095 3 0 "[ . 1]" 1
1354 1 117 TYR HB2 1 118 VAL H 4.750 . 4.750 3.594 3.474 3.706 . 0 0 "[ . 1]" 1
1355 1 117 TYR HB2 1 118 VAL HA 5.130 . 5.130 4.308 4.213 4.379 . 0 0 "[ . 1]" 1
1356 1 117 TYR HA 1 118 VAL HB 5.380 . 5.380 4.333 4.263 4.440 . 0 0 "[ . 1]" 1
1357 1 117 TYR HA 1 118 VAL H 3.360 . 3.360 2.351 2.283 2.387 . 0 0 "[ . 1]" 1
1358 1 117 TYR HB3 1 118 VAL H 4.360 . 4.360 2.684 2.603 2.816 . 0 0 "[ . 1]" 1
1359 1 117 TYR H 1 123 GLU HG2 4.990 . 4.990 4.524 4.299 4.818 . 0 0 "[ . 1]" 1
1360 1 117 TYR HB3 1 124 ALA H 4.560 . 4.560 4.271 3.997 4.424 . 0 0 "[ . 1]" 1
1361 1 117 TYR H 1 124 ALA HA 4.550 . 4.550 4.610 4.568 4.631 0.081 2 0 "[ . 1]" 1
1362 1 117 TYR H 1 124 ALA MB 4.500 . 4.500 3.672 3.437 3.801 . 0 0 "[ . 1]" 1
1363 1 117 TYR HE1 1 124 ALA MB 5.070 . 5.070 4.816 4.245 5.085 0.015 4 0 "[ . 1]" 1
1364 1 117 TYR HB2 1 124 ALA MB 5.500 . 5.500 2.801 2.661 2.883 . 0 0 "[ . 1]" 1
1365 1 117 TYR HD1 1 124 ALA MB 5.500 . 5.500 3.310 2.745 3.609 . 0 0 "[ . 1]" 1
1366 1 117 TYR HB3 1 124 ALA MB 4.360 . 4.360 4.308 4.114 4.379 0.019 10 0 "[ . 1]" 1
1367 1 117 TYR H 1 125 LYS HA 3.980 . 3.980 3.130 2.918 3.364 . 0 0 "[ . 1]" 1
1368 1 117 TYR HD1 1 125 LYS HA 4.890 . 4.890 3.260 2.986 3.562 . 0 0 "[ . 1]" 1
1369 1 117 TYR HE1 1 125 LYS HA 4.780 . 4.780 4.219 4.022 4.523 . 0 0 "[ . 1]" 1
1370 1 117 TYR QD 1 125 LYS H 5.120 . 5.120 4.783 4.606 5.004 . 0 0 "[ . 1]" 1
1371 1 117 TYR H 1 125 LYS QE 5.170 . 5.170 4.459 3.887 5.199 0.029 8 0 "[ . 1]" 1
1372 1 117 TYR QD 1 125 LYS HA 4.560 . 4.560 3.256 2.984 3.556 . 0 0 "[ . 1]" 1
1373 1 117 TYR QD 1 126 ARG H 5.280 . 5.280 4.350 3.833 4.746 . 0 0 "[ . 1]" 1
1374 1 117 TYR QD 1 126 ARG HB3 4.120 . 4.120 4.174 4.151 4.213 0.093 5 0 "[ . 1]" 1
1375 1 117 TYR HE1 1 126 ARG HA 5.340 . 5.340 4.955 4.423 5.355 0.015 8 0 "[ . 1]" 1
1376 1 118 VAL H 1 118 VAL HB 3.480 . 3.480 3.294 3.177 3.390 . 0 0 "[ . 1]" 1
1377 1 118 VAL HA 1 118 VAL MG2 3.130 . 3.130 2.322 2.266 2.380 . 0 0 "[ . 1]" 1
1378 1 118 VAL H 1 118 VAL MG2 3.850 . 3.850 3.984 3.966 3.992 0.142 3 0 "[ . 1]" 1
1379 1 118 VAL HB 1 119 TYR H 4.570 . 4.570 4.150 4.094 4.272 . 0 0 "[ . 1]" 1
1380 1 118 VAL HA 1 119 TYR H 2.780 . 2.780 2.207 2.158 2.224 . 0 0 "[ . 1]" 1
1381 1 118 VAL MG2 1 119 TYR H 3.530 . 3.530 2.201 2.063 2.351 . 0 0 "[ . 1]" 1
1382 1 118 VAL MG2 1 119 TYR HB2 5.500 . 5.500 4.816 4.732 4.964 . 0 0 "[ . 1]" 1
1383 1 118 VAL MG2 1 121 GLY HA2 5.050 . 5.050 4.611 4.462 4.702 . 0 0 "[ . 1]" 1
1384 1 118 VAL MG2 1 121 GLY H 3.960 . 3.960 3.785 3.615 3.887 . 0 0 "[ . 1]" 1
1385 1 118 VAL MG2 1 121 GLY HA3 5.330 2.300 5.330 5.424 5.346 5.491 0.161 9 0 "[ . 1]" 1
1386 1 118 VAL HA 1 122 VAL HB 5.000 . 5.000 4.436 3.997 5.059 0.059 10 0 "[ . 1]" 1
1387 1 118 VAL MG2 1 123 GLU QB 3.130 . 3.130 2.363 2.164 2.601 . 0 0 "[ . 1]" 1
1388 1 118 VAL MG2 1 123 GLU HA 3.450 . 3.450 2.910 2.681 3.076 . 0 0 "[ . 1]" 1
1389 1 118 VAL HB 1 123 GLU HG2 3.330 . 3.330 3.400 3.370 3.427 0.097 9 0 "[ . 1]" 1
1390 1 118 VAL HA 1 123 GLU HA 3.470 . 3.470 1.884 1.829 1.921 . 0 0 "[ . 1]" 1
1391 1 118 VAL MG2 1 123 GLU HG2 4.310 . 4.310 3.654 3.444 3.809 . 0 0 "[ . 1]" 1
1392 1 118 VAL MG2 1 124 ALA H 4.790 . 4.790 4.662 4.470 4.793 0.003 5 0 "[ . 1]" 1
1393 1 118 VAL HA 1 124 ALA H 4.080 . 4.080 3.289 3.106 3.388 . 0 0 "[ . 1]" 1
1394 1 119 TYR H 1 119 TYR HB3 4.020 . 4.020 2.838 2.737 2.897 . 0 0 "[ . 1]" 1
1395 1 119 TYR H 1 119 TYR QD 4.480 . 4.480 4.205 4.111 4.299 . 0 0 "[ . 1]" 1
1396 1 119 TYR HA 1 119 TYR QD 3.680 . 3.680 2.985 2.783 3.177 . 0 0 "[ . 1]" 1
1397 1 119 TYR HB2 1 120 GLU H 4.720 . 4.720 4.240 4.103 4.348 . 0 0 "[ . 1]" 1
1398 1 119 TYR H 1 120 GLU H 5.200 . 5.200 3.924 3.741 4.064 . 0 0 "[ . 1]" 1
1399 1 119 TYR HA 1 120 GLU H 3.080 . 3.080 2.121 2.107 2.132 . 0 0 "[ . 1]" 1
1400 1 119 TYR HE1 1 120 GLU HG2 5.300 . 5.300 3.988 3.419 5.179 . 0 0 "[ . 1]" 1
1401 1 119 TYR H 1 121 GLY H 5.120 . 5.120 4.747 4.489 4.966 . 0 0 "[ . 1]" 1
1402 1 119 TYR H 1 122 VAL H 3.720 . 3.720 3.090 2.863 3.729 0.009 4 0 "[ . 1]" 1
1403 1 119 TYR H 1 122 VAL HB 4.130 . 4.130 2.866 2.424 3.583 . 0 0 "[ . 1]" 1
1404 1 119 TYR H 1 123 GLU HA 4.850 . 4.850 3.399 3.245 3.484 . 0 0 "[ . 1]" 1
1405 1 120 GLU H 1 120 GLU HG2 4.090 . 4.090 2.611 2.053 4.118 0.028 3 0 "[ . 1]" 1
1406 1 120 GLU H 1 120 GLU HB3 3.770 . 3.770 3.705 3.169 3.887 0.117 3 0 "[ . 1]" 1
1407 1 120 GLU HA 1 120 GLU HG2 3.860 . 3.860 3.271 2.661 3.622 . 0 0 "[ . 1]" 1
1408 1 120 GLU H 1 120 GLU HA 2.900 . 2.900 2.330 2.289 2.358 . 0 0 "[ . 1]" 1
1409 1 120 GLU H 1 120 GLU HG3 3.760 . 3.760 3.726 3.377 3.855 0.095 9 0 "[ . 1]" 1
1410 1 120 GLU HA 1 120 GLU HG3 3.820 . 3.820 3.690 2.493 3.862 0.042 6 0 "[ . 1]" 1
1411 1 120 GLU HB3 1 121 GLY H 5.120 . 5.120 4.094 4.015 4.353 . 0 0 "[ . 1]" 1
1412 1 120 GLU HB2 1 121 GLY H 5.300 . 5.300 4.351 4.027 4.596 . 0 0 "[ . 1]" 1
1413 1 120 GLU HA 1 121 GLY H 3.220 . 3.220 2.264 2.248 2.277 . 0 0 "[ . 1]" 1
1414 1 122 VAL H 1 122 VAL QG 3.150 . 3.150 2.517 2.158 2.890 . 0 0 "[ . 1]" 1
1415 1 122 VAL HA 1 122 VAL QG 3.170 . 3.170 2.100 1.994 2.150 . 0 0 "[ . 1]" 1
1416 1 122 VAL H 1 122 VAL HB 2.960 . 2.960 2.550 2.308 2.712 . 0 0 "[ . 1]" 1
1417 1 122 VAL HB 1 123 GLU H 4.580 . 4.580 4.009 3.758 4.484 . 0 0 "[ . 1]" 1
1418 1 122 VAL QG 1 123 GLU H 3.630 . 3.630 2.179 1.940 2.864 . 0 0 "[ . 1]" 1
1419 1 122 VAL HA 1 123 GLU H 2.610 . 2.610 2.194 2.126 2.244 . 0 0 "[ . 1]" 1
1420 1 122 VAL HA 1 123 GLU HA 5.110 . 5.110 4.430 4.381 4.456 . 0 0 "[ . 1]" 1
1421 1 122 VAL H 1 123 GLU H 4.790 . 4.790 4.473 4.237 4.571 . 0 0 "[ . 1]" 1
1422 1 122 VAL HB 1 124 ALA MB 5.500 . 5.500 5.540 5.446 5.607 0.107 2 0 "[ . 1]" 1
1423 1 123 GLU H 1 123 GLU HG3 4.560 . 4.560 4.545 4.431 4.594 0.034 8 0 "[ . 1]" 1
1424 1 123 GLU H 1 123 GLU HG2 4.820 . 4.820 4.888 4.837 4.927 0.107 9 0 "[ . 1]" 1
1425 1 123 GLU H 1 123 GLU QB 3.080 . 3.080 2.718 2.445 2.868 . 0 0 "[ . 1]" 1
1426 1 123 GLU HA 1 123 GLU HG2 3.890 . 3.890 3.131 2.973 3.312 . 0 0 "[ . 1]" 1
1427 1 123 GLU HA 1 123 GLU HG3 4.070 . 4.070 2.132 2.080 2.177 . 0 0 "[ . 1]" 1
1428 1 123 GLU QB 1 123 GLU HG2 2.630 . 2.630 2.193 2.143 2.236 . 0 0 "[ . 1]" 1
1429 1 123 GLU HG2 1 124 ALA H 4.170 . 4.170 3.806 3.484 4.078 . 0 0 "[ . 1]" 1
1430 1 123 GLU HG3 1 124 ALA H 3.760 . 3.760 3.387 3.215 3.507 . 0 0 "[ . 1]" 1
1431 1 123 GLU HA 1 124 ALA H 2.860 . 2.860 2.144 2.132 2.161 . 0 0 "[ . 1]" 1
1432 1 123 GLU QB 1 124 ALA H 4.120 . 4.120 3.767 3.713 3.802 . 0 0 "[ . 1]" 1
1433 1 123 GLU HA 1 124 ALA MB 4.790 . 4.790 4.008 3.972 4.025 . 0 0 "[ . 1]" 1
1434 1 123 GLU HG3 1 125 LYS QE 5.500 . 5.500 4.530 3.779 5.175 . 0 0 "[ . 1]" 1
1435 1 124 ALA MB 1 125 LYS HA 4.790 . 4.790 4.179 4.147 4.197 . 0 0 "[ . 1]" 1
1436 1 124 ALA MB 1 125 LYS H 3.580 . 3.580 2.899 2.794 2.960 . 0 0 "[ . 1]" 1
1437 1 124 ALA HA 1 125 LYS QE 3.730 . 3.730 3.530 3.237 3.735 0.005 8 0 "[ . 1]" 1
1438 1 124 ALA HA 1 125 LYS H 3.020 . 3.020 2.164 2.147 2.196 . 0 0 "[ . 1]" 1
1439 1 124 ALA MB 1 125 LYS QB 4.630 . 4.630 4.585 4.508 4.659 0.029 3 0 "[ . 1]" 1
1440 1 125 LYS QB 1 125 LYS QD 2.730 . 2.730 2.310 1.964 2.701 . 0 0 "[ . 1]" 1
1441 1 125 LYS HA 1 125 LYS QD 4.320 . 4.320 3.656 2.480 4.089 . 0 0 "[ . 1]" 1
1442 1 125 LYS H 1 125 LYS QE 5.070 . 5.070 3.106 2.472 3.677 . 0 0 "[ . 1]" 1
1443 1 125 LYS H 1 125 LYS QB 3.800 . 3.800 2.308 2.265 2.381 . 0 0 "[ . 1]" 1
1444 1 125 LYS QB 1 125 LYS QE 4.110 . 4.110 2.465 1.972 3.454 . 0 0 "[ . 1]" 1
1445 1 125 LYS HA 1 126 ARG H 3.210 . 3.210 2.404 2.165 2.479 . 0 0 "[ . 1]" 1
1446 1 125 LYS QB 1 126 ARG H 3.880 . 3.880 2.708 2.399 3.300 . 0 0 "[ . 1]" 1
1447 1 125 LYS QD 1 126 ARG H 5.380 . 5.380 4.913 4.532 5.357 . 0 0 "[ . 1]" 1
1448 1 125 LYS HA 1 126 ARG HB3 4.430 . 4.430 4.370 4.249 4.466 0.036 6 0 "[ . 1]" 1
1449 1 125 LYS QB 1 127 ILE MD 4.320 . 4.320 3.378 3.013 3.823 . 0 0 "[ . 1]" 1
1450 1 126 ARG H 1 126 ARG HG2 5.230 . 5.230 4.573 4.361 4.787 . 0 0 "[ . 1]" 1
1451 1 126 ARG HA 1 127 ILE MD 5.500 . 5.500 3.562 2.858 4.010 . 0 0 "[ . 1]" 1
1452 1 126 ARG HA 1 127 ILE H 3.270 . 3.270 2.125 2.111 2.138 . 0 0 "[ . 1]" 1
1453 1 126 ARG H 1 127 ILE MD 5.500 . 5.500 3.766 3.619 4.021 . 0 0 "[ . 1]" 1
1454 1 126 ARG H 1 127 ILE H 4.570 . 4.570 4.043 3.930 4.223 . 0 0 "[ . 1]" 1
1455 1 127 ILE HA 1 127 ILE MD 4.620 . 4.620 2.469 2.075 3.167 . 0 0 "[ . 1]" 1
1456 1 127 ILE H 1 127 ILE HG13 5.050 . 5.050 3.500 3.333 3.574 . 0 0 "[ . 1]" 1
1457 1 127 ILE H 1 127 ILE MD 4.260 . 4.260 2.566 1.840 3.039 . 0 0 "[ . 1]" 1
1458 1 127 ILE H 1 127 ILE HB 3.590 . 3.590 2.746 2.495 2.892 . 0 0 "[ . 1]" 1
1459 1 127 ILE H 1 127 ILE HG12 3.910 . 3.910 2.514 1.897 3.866 . 0 0 "[ . 1]" 1
1460 1 127 ILE HB 1 127 ILE MD 3.370 . 3.370 2.938 2.237 3.227 . 0 0 "[ . 1]" 1
1461 1 127 ILE HA 1 127 ILE HG12 4.110 . 4.110 3.472 3.293 3.726 . 0 0 "[ . 1]" 1
1462 1 127 ILE MD 1 127 ILE MG 3.430 . 3.430 2.361 1.800 3.256 . 2 0 "[ . 1]" 1
1463 1 127 ILE HG13 1 128 PHE H 5.390 . 5.390 5.062 4.315 5.402 0.012 7 0 "[ . 1]" 1
1464 1 127 ILE MG 1 128 PHE H 3.870 . 3.870 2.129 1.945 2.238 . 0 0 "[ . 1]" 1
1465 1 127 ILE HA 1 128 PHE H 3.280 . 3.280 2.241 2.187 2.314 . 0 0 "[ . 1]" 1
1466 1 127 ILE MG 1 128 PHE HA 5.080 . 5.080 3.978 3.682 4.147 . 0 0 "[ . 1]" 1
1467 1 127 ILE MG 1 128 PHE HB2 5.500 . 5.500 4.936 4.774 5.113 . 0 0 "[ . 1]" 1
1468 1 127 ILE MG 1 128 PHE HD2 5.500 . 5.500 5.525 5.503 5.563 0.063 9 0 "[ . 1]" 1
1469 1 128 PHE H 1 128 PHE HB2 4.080 . 4.080 3.240 3.072 3.376 . 0 0 "[ . 1]" 1
1470 1 128 PHE HA 1 128 PHE QD 4.170 . 4.170 2.765 2.517 2.970 . 0 0 "[ . 1]" 1
1471 1 128 PHE HD2 1 129 LYS HA 4.490 . 4.490 3.910 3.578 4.301 . 0 0 "[ . 1]" 1
1472 1 128 PHE QD 1 129 LYS H 4.510 . 4.510 2.617 2.399 2.790 . 0 0 "[ . 1]" 1
1473 1 128 PHE HE2 1 129 LYS HA 4.870 . 4.870 4.327 3.936 4.733 . 0 0 "[ . 1]" 1
1474 1 128 PHE HA 1 129 LYS H 3.170 . 3.170 2.250 2.207 2.272 . 0 0 "[ . 1]" 1
1475 1 129 LYS HB3 1 129 LYS QD 3.410 . 3.410 2.512 2.130 3.423 0.013 8 0 "[ . 1]" 1
1476 1 129 LYS QD 1 129 LYS HG2 2.650 . 2.650 2.304 2.146 2.506 . 0 0 "[ . 1]" 1
1477 1 129 LYS H 1 129 LYS HB3 3.920 . 3.920 3.631 2.770 3.925 0.005 2 0 "[ . 1]" 1
1478 1 129 LYS H 1 129 LYS HB2 4.160 . 4.160 3.228 2.832 3.921 . 0 0 "[ . 1]" 1
1479 1 129 LYS HA 1 129 LYS HG3 4.240 . 4.240 3.600 3.199 3.873 . 0 0 "[ . 1]" 1
1480 1 129 LYS HB2 1 129 LYS QD 3.380 . 3.380 2.797 2.031 3.381 0.001 2 0 "[ . 1]" 1
1481 1 129 LYS H 1 129 LYS HG2 4.910 . 4.910 3.487 2.971 4.577 . 0 0 "[ . 1]" 1
1482 1 129 LYS H 1 129 LYS QD 5.090 . 5.090 4.221 3.395 4.680 . 0 0 "[ . 1]" 1
1483 1 129 LYS HA 1 129 LYS HG2 3.980 . 3.980 3.167 2.484 4.085 0.105 8 0 "[ . 1]" 1
1484 1 129 LYS HA 1 129 LYS QD 3.950 . 3.950 3.251 1.984 4.094 0.144 3 0 "[ . 1]" 1
1485 1 129 LYS HB3 1 130 LYS H 3.890 . 3.890 3.061 2.492 3.934 0.044 3 0 "[ . 1]" 1
1486 1 129 LYS HA 1 130 LYS HG2 5.180 . 5.180 3.958 3.581 4.325 . 0 0 "[ . 1]" 1
1487 1 129 LYS HA 1 130 LYS H 3.020 . 3.020 2.389 2.352 2.432 . 0 0 "[ . 1]" 1
1488 1 129 LYS HG2 1 130 LYS H 4.890 . 4.890 4.455 1.784 4.975 0.085 8 0 "[ . 1]" 1
1489 1 129 LYS QD 1 130 LYS H 4.770 . 4.770 3.733 2.682 4.475 . 0 0 "[ . 1]" 1
1490 1 129 LYS HB2 1 130 LYS H 3.580 . 3.580 3.325 2.450 3.790 0.210 6 0 "[ . 1]" 1
1491 1 129 LYS HA 1 130 LYS QB 4.610 . 4.610 4.504 4.309 4.659 0.049 7 0 "[ . 1]" 1
1492 1 130 LYS H 1 130 LYS HG3 4.160 . 4.160 2.711 2.288 3.566 . 0 0 "[ . 1]" 1
1493 1 130 LYS H 1 130 LYS HG2 3.750 . 3.750 2.543 1.915 3.505 . 0 0 "[ . 1]" 1
1494 1 130 LYS HE2 1 130 LYS HG2 3.960 . 3.960 3.307 2.195 3.817 . 0 0 "[ . 1]" 1
1495 1 130 LYS HA 1 130 LYS HG3 4.050 . 4.050 3.648 3.270 3.992 . 0 0 "[ . 1]" 1
1496 1 130 LYS HE3 1 130 LYS HG2 4.120 . 4.120 3.215 2.166 4.127 0.007 9 0 "[ . 1]" 1
1497 1 130 LYS H 1 130 LYS QB 3.120 . 3.120 2.864 2.720 3.016 . 0 0 "[ . 1]" 1
1498 1 130 LYS HE3 1 130 LYS HG3 4.220 . 4.220 3.223 2.248 3.668 . 0 0 "[ . 1]" 1
1499 1 130 LYS HA 1 131 ASP HB2 4.610 . 4.610 4.238 4.156 4.338 . 0 0 "[ . 1]" 1
1500 1 130 LYS HG2 1 131 ASP H 4.950 . 4.950 4.733 4.469 4.963 0.013 3 0 "[ . 1]" 1
1501 1 130 LYS HA 1 131 ASP H 2.820 . 2.820 2.254 2.216 2.262 . 0 0 "[ . 1]" 1
1502 1 130 LYS QB 1 131 ASP H 3.650 . 3.650 2.638 2.602 2.669 . 0 0 "[ . 1]" 1
1503 1 130 LYS QB 1 131 ASP HB2 4.610 . 4.610 4.639 4.625 4.656 0.046 6 0 "[ . 1]" 1
1504 1 130 LYS HA 1 131 ASP HB3 5.170 . 5.170 5.101 5.024 5.153 . 0 0 "[ . 1]" 1
1505 1 130 LYS HG3 1 131 ASP H 5.080 . 5.080 4.574 4.113 5.105 0.025 6 0 "[ . 1]" 1
1506 1 131 ASP H 1 131 ASP HB2 3.460 . 3.460 2.244 2.230 2.282 . 0 0 "[ . 1]" 1
1507 1 131 ASP H 1 131 ASP HB3 3.450 . 3.450 2.851 2.767 2.910 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 152
_Distance_constraint_stats_list.Viol_count 236
_Distance_constraint_stats_list.Viol_total 70.243
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 SER 0.000 0.000 . 0 "[ . 1]"
1 6 TRP 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.280 0.075 8 0 "[ . 1]"
1 8 VAL 0.051 0.019 5 0 "[ . 1]"
1 9 ASP 0.197 0.040 10 0 "[ . 1]"
1 10 ARG 0.358 0.042 9 0 "[ . 1]"
1 12 GLU 0.000 0.000 . 0 "[ . 1]"
1 13 ASN 1.511 0.194 10 0 "[ . 1]"
1 14 TYR 0.133 0.024 8 0 "[ . 1]"
1 15 ASP 0.000 0.000 . 0 "[ . 1]"
1 16 LYS 0.000 0.000 . 0 "[ . 1]"
1 17 PHE 1.523 0.194 10 0 "[ . 1]"
1 18 MET 0.415 0.062 3 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 0.000 0.000 . 0 "[ . 1]"
1 21 MET 0.012 0.012 8 0 "[ . 1]"
1 22 GLY 0.282 0.062 3 0 "[ . 1]"
1 23 VAL 0.000 0.000 . 0 "[ . 1]"
1 24 ASN 0.187 0.053 6 0 "[ . 1]"
1 25 ILE 0.000 0.000 . 0 "[ . 1]"
1 28 ARG 0.187 0.053 6 0 "[ . 1]"
1 29 LYS 0.000 0.000 . 0 "[ . 1]"
1 32 ALA 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 0.051 0.019 5 0 "[ . 1]"
1 37 LYS 0.251 0.038 4 0 "[ . 1]"
1 38 LEU 0.000 0.000 . 0 "[ . 1]"
1 39 THR 0.252 0.051 8 0 "[ . 1]"
1 40 ILE 0.000 0.000 . 0 "[ . 1]"
1 41 THR 0.104 0.034 8 0 "[ . 1]"
1 43 GLU 0.098 0.047 8 0 "[ . 1]"
1 45 ASN 0.000 0.000 . 0 "[ . 1]"
1 46 LYS 0.098 0.047 8 0 "[ . 1]"
1 47 PHE 0.219 0.039 9 0 "[ . 1]"
1 48 THR 0.104 0.034 8 0 "[ . 1]"
1 49 VAL 0.043 0.021 1 0 "[ . 1]"
1 50 LYS 0.252 0.051 8 0 "[ . 1]"
1 51 GLU 0.006 0.003 1 0 "[ . 1]"
1 52 SER 0.251 0.038 4 0 "[ . 1]"
1 58 ILE 0.006 0.003 1 0 "[ . 1]"
1 60 VAL 0.043 0.021 1 0 "[ . 1]"
1 62 PHE 0.219 0.039 9 0 "[ . 1]"
1 63 GLU 0.112 0.112 10 0 "[ . 1]"
1 64 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 GLY 0.005 0.005 9 0 "[ . 1]"
1 66 VAL 0.257 0.112 10 0 "[ . 1]"
1 68 PHE 0.318 0.056 2 0 "[ . 1]"
1 70 TYR 0.319 0.053 6 0 "[ . 1]"
1 72 LEU 0.186 0.100 3 0 "[ . 1]"
1 76 THR 0.186 0.100 3 0 "[ . 1]"
1 78 LEU 0.319 0.053 6 0 "[ . 1]"
1 79 ARG 0.025 0.024 6 0 "[ . 1]"
1 80 GLY 0.318 0.056 2 0 "[ . 1]"
1 81 THR 0.000 0.000 . 0 "[ . 1]"
1 82 TRP 0.150 0.039 5 0 "[ . 1]"
1 83 SER 0.000 0.000 . 0 "[ . 1]"
1 85 GLU 0.027 0.014 8 0 "[ . 1]"
1 88 LYS 0.027 0.014 8 0 "[ . 1]"
1 89 LEU 0.039 0.020 8 0 "[ . 1]"
1 90 ILE 0.000 0.000 . 0 "[ . 1]"
1 91 GLY 0.000 0.000 . 0 "[ . 1]"
1 92 LYS 0.000 0.000 . 0 "[ . 1]"
1 93 PHE 0.003 0.002 4 0 "[ . 1]"
1 94 LYS 0.025 0.024 6 0 "[ . 1]"
1 95 ARG 0.393 0.075 5 0 "[ . 1]"
1 100 ASN 0.393 0.075 5 0 "[ . 1]"
1 101 GLU 0.508 0.100 6 0 "[ . 1]"
1 102 LEU 0.003 0.002 4 0 "[ . 1]"
1 103 ASN 0.055 0.024 1 0 "[ . 1]"
1 104 THR 0.000 0.000 . 0 "[ . 1]"
1 105 VAL 0.000 0.000 . 0 "[ . 1]"
1 106 ARG 0.039 0.020 8 0 "[ . 1]"
1 107 GLU 0.044 0.034 8 0 "[ . 1]"
1 109 ILE 0.277 0.069 2 0 "[ . 1]"
1 112 GLU 0.277 0.069 2 0 "[ . 1]"
1 113 LEU 0.106 0.060 6 0 "[ . 1]"
1 114 VAL 0.044 0.034 8 0 "[ . 1]"
1 115 GLN 0.000 0.000 . 0 "[ . 1]"
1 116 THR 0.000 0.000 . 0 "[ . 1]"
1 117 TYR 0.360 0.051 1 0 "[ . 1]"
1 118 VAL 0.055 0.024 1 0 "[ . 1]"
1 119 TYR 0.118 0.042 4 0 "[ . 1]"
1 120 GLU 0.508 0.100 6 0 "[ . 1]"
1 122 VAL 0.118 0.042 4 0 "[ . 1]"
1 124 ALA 0.360 0.051 1 0 "[ . 1]"
1 125 LYS 0.000 0.000 . 0 "[ . 1]"
1 126 ARG 0.000 0.000 . 0 "[ . 1]"
1 127 ILE 0.554 0.042 9 0 "[ . 1]"
1 128 PHE 0.106 0.060 6 0 "[ . 1]"
1 129 LYS 0.280 0.075 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 TRP H 1 38 LEU O 1.650 . 2.600 2.026 1.897 2.222 . 0 0 "[ . 1]" 2
2 1 6 TRP N 1 38 LEU O 2.650 2.450 3.600 2.692 2.578 2.868 . 0 0 "[ . 1]" 2
3 1 7 LYS H 1 129 LYS O 1.650 . 2.600 2.453 2.353 2.543 . 0 0 "[ . 1]" 2
4 1 7 LYS N 1 129 LYS O 2.650 2.450 3.600 3.253 3.126 3.344 . 0 0 "[ . 1]" 2
5 1 8 VAL H 1 36 LEU O 1.650 . 2.600 2.552 2.370 2.619 0.019 5 0 "[ . 1]" 2
6 1 8 VAL N 1 36 LEU O 2.650 2.450 3.600 3.434 3.261 3.530 . 0 0 "[ . 1]" 2
7 1 9 ASP H 1 127 ILE O 1.600 . 2.550 2.560 2.458 2.590 0.040 10 0 "[ . 1]" 2
8 1 9 ASP N 1 127 ILE O 2.600 2.400 3.550 3.404 3.240 3.457 . 0 0 "[ . 1]" 2
9 1 10 ARG H 1 127 ILE O 1.650 . 2.600 2.629 2.611 2.642 0.042 9 0 "[ . 1]" 2
10 1 10 ARG N 1 127 ILE O 2.650 2.450 3.600 3.461 3.387 3.574 . 0 0 "[ . 1]" 2
11 1 12 GLU H 1 125 LYS O 1.650 . 2.600 1.832 1.683 2.056 . 0 0 "[ . 1]" 2
12 1 12 GLU N 1 125 LYS O 2.650 2.450 3.600 2.640 2.564 2.948 . 0 0 "[ . 1]" 2
13 1 13 ASN O 1 17 PHE H 1.600 . 2.550 2.701 2.634 2.744 0.194 10 0 "[ . 1]" 2
14 1 13 ASN O 1 17 PHE N 2.600 2.400 3.550 3.505 3.422 3.552 0.002 10 0 "[ . 1]" 2
15 1 14 TYR O 1 18 MET H 1.650 . 2.600 2.599 2.511 2.624 0.024 8 0 "[ . 1]" 2
16 1 14 TYR O 1 18 MET N 2.650 2.450 3.600 3.429 3.348 3.509 . 0 0 "[ . 1]" 2
17 1 15 ASP O 1 19 GLU H 1.650 . 2.600 2.215 1.852 2.390 . 0 0 "[ . 1]" 2
18 1 15 ASP O 1 19 GLU N 2.650 2.450 3.600 3.025 2.563 3.201 . 0 0 "[ . 1]" 2
19 1 16 LYS O 1 20 LYS N 2.600 2.400 3.550 3.112 2.730 3.260 . 0 0 "[ . 1]" 2
20 1 16 LYS O 1 20 LYS H 1.500 . 2.450 2.181 1.755 2.346 . 0 0 "[ . 1]" 2
21 1 17 PHE O 1 21 MET N 2.650 2.450 3.600 3.139 2.569 3.433 . 0 0 "[ . 1]" 2
22 1 17 PHE O 1 21 MET H 1.650 . 2.600 2.345 1.791 2.612 0.012 8 0 "[ . 1]" 2
23 1 18 MET O 1 22 GLY N 2.650 2.450 3.600 3.161 3.018 3.352 . 0 0 "[ . 1]" 2
24 1 18 MET O 1 22 GLY H 1.650 . 2.600 2.622 2.536 2.662 0.062 3 0 "[ . 1]" 2
25 1 18 MET O 1 23 VAL N 2.650 2.450 3.600 2.717 2.602 2.956 . 0 0 "[ . 1]" 2
26 1 18 MET O 1 23 VAL H 1.650 . 2.600 1.867 1.788 2.014 . 0 0 "[ . 1]" 2
27 1 37 LYS N 1 52 SER O 2.650 2.450 3.600 3.287 3.083 3.389 . 0 0 "[ . 1]" 2
28 1 37 LYS H 1 52 SER O 1.650 . 2.600 2.620 2.547 2.638 0.038 4 0 "[ . 1]" 2
29 1 6 TRP O 1 38 LEU N 2.650 2.450 3.600 2.604 2.560 2.645 . 0 0 "[ . 1]" 2
30 1 6 TRP O 1 38 LEU H 1.650 . 2.600 1.840 1.790 1.910 . 0 0 "[ . 1]" 2
31 1 39 THR N 1 50 LYS O 2.650 2.450 3.600 2.975 2.786 3.144 . 0 0 "[ . 1]" 2
32 1 39 THR H 1 50 LYS O 1.650 . 2.600 2.416 2.219 2.614 0.014 10 0 "[ . 1]" 2
33 1 4 SER O 1 40 ILE N 2.650 2.450 3.600 2.841 2.616 2.966 . 0 0 "[ . 1]" 2
34 1 4 SER O 1 40 ILE H 1.650 . 2.600 1.916 1.747 2.069 . 0 0 "[ . 1]" 2
35 1 41 THR N 1 48 THR O 2.650 2.450 3.600 2.951 2.605 3.176 . 0 0 "[ . 1]" 2
36 1 41 THR H 1 48 THR O 1.650 . 2.600 2.354 1.774 2.634 0.034 8 0 "[ . 1]" 2
37 1 43 GLU N 1 46 LYS O 2.650 2.450 3.600 3.056 2.541 3.271 . 0 0 "[ . 1]" 2
38 1 43 GLU H 1 46 LYS O 1.650 . 2.600 2.413 1.679 2.647 0.047 8 0 "[ . 1]" 2
39 1 43 GLU O 1 46 LYS N 2.650 2.450 3.600 2.919 2.638 3.559 . 0 0 "[ . 1]" 2
40 1 43 GLU O 1 46 LYS H 1.650 . 2.600 2.063 1.760 2.634 0.034 6 0 "[ . 1]" 2
41 1 47 PHE N 1 62 PHE O 2.650 2.450 3.600 2.523 2.440 2.625 0.010 10 0 "[ . 1]" 2
42 1 47 PHE H 1 62 PHE O 1.650 . 2.600 1.722 1.622 1.908 0.028 5 0 "[ . 1]" 2
43 1 41 THR O 1 48 THR N 2.650 2.450 3.600 3.426 3.123 3.557 . 0 0 "[ . 1]" 2
44 1 41 THR O 1 48 THR H 1.650 . 2.600 2.511 2.151 2.619 0.019 2 0 "[ . 1]" 2
45 1 49 VAL N 1 60 VAL O 2.650 2.450 3.600 3.011 2.514 3.521 . 0 0 "[ . 1]" 2
46 1 49 VAL H 1 60 VAL O 1.650 . 2.600 2.202 1.651 2.621 0.021 1 0 "[ . 1]" 2
47 1 39 THR O 1 50 LYS N 2.650 2.450 3.600 3.478 3.371 3.556 . 0 0 "[ . 1]" 2
48 1 39 THR O 1 50 LYS H 1.650 . 2.600 2.623 2.606 2.651 0.051 8 0 "[ . 1]" 2
49 1 51 GLU N 1 58 ILE O 2.650 2.450 3.600 2.629 2.519 2.747 . 0 0 "[ . 1]" 2
50 1 51 GLU H 1 58 ILE O 1.650 . 2.600 1.881 1.665 2.122 . 0 0 "[ . 1]" 2
51 1 37 LYS O 1 52 SER N 2.650 2.450 3.600 3.164 2.954 3.334 . 0 0 "[ . 1]" 2
52 1 37 LYS O 1 52 SER H 1.650 . 2.600 2.287 2.026 2.479 . 0 0 "[ . 1]" 2
53 1 51 GLU O 1 58 ILE N 2.650 2.450 3.600 3.174 2.561 3.578 . 0 0 "[ . 1]" 2
54 1 51 GLU O 1 58 ILE H 1.650 . 2.600 2.337 1.947 2.603 0.003 1 0 "[ . 1]" 2
55 1 49 VAL O 1 60 VAL N 2.650 2.450 3.600 2.787 2.574 3.269 . 0 0 "[ . 1]" 2
56 1 49 VAL O 1 60 VAL H 1.650 . 2.600 1.898 1.658 2.316 . 0 0 "[ . 1]" 2
57 1 47 PHE O 1 62 PHE N 2.650 2.450 3.600 2.607 2.440 2.847 0.010 1 0 "[ . 1]" 2
58 1 47 PHE O 1 62 PHE H 1.650 . 2.600 1.689 1.611 1.921 0.039 9 0 "[ . 1]" 2
59 1 45 ASN O 1 64 LEU N 2.650 2.450 3.600 3.015 2.804 3.341 . 0 0 "[ . 1]" 2
60 1 45 ASN O 1 64 LEU H 1.650 . 2.600 2.078 1.848 2.406 . 0 0 "[ . 1]" 2
61 1 65 GLY N 1 82 TRP O 2.650 2.450 3.600 3.099 2.620 3.399 . 0 0 "[ . 1]" 2
62 1 65 GLY H 1 82 TRP O 1.650 . 2.600 2.152 1.645 2.450 0.005 9 0 "[ . 1]" 2
63 1 63 GLU O 1 66 VAL N 2.650 2.450 3.600 3.064 2.772 3.546 . 0 0 "[ . 1]" 2
64 1 63 GLU O 1 66 VAL H 1.650 . 2.600 2.309 1.946 2.712 0.112 10 0 "[ . 1]" 2
65 1 68 PHE N 1 80 GLY O 2.650 2.450 3.600 2.846 2.543 3.228 . 0 0 "[ . 1]" 2
66 1 68 PHE H 1 80 GLY O 1.650 . 2.600 1.997 1.646 2.456 0.004 6 0 "[ . 1]" 2
67 1 70 TYR N 1 78 LEU O 2.650 2.450 3.600 3.130 2.865 3.469 . 0 0 "[ . 1]" 2
68 1 70 TYR H 1 78 LEU O 1.650 . 2.600 2.606 2.378 2.653 0.053 6 0 "[ . 1]" 2
69 1 72 LEU O 1 76 THR N 2.650 2.450 3.600 3.061 2.603 3.457 . 0 0 "[ . 1]" 2
70 1 72 LEU O 1 76 THR H 1.650 . 2.600 2.540 2.048 2.700 0.100 3 0 "[ . 1]" 2
71 1 70 TYR O 1 78 LEU N 2.650 2.450 3.600 3.326 2.562 3.571 . 0 0 "[ . 1]" 2
72 1 70 TYR O 1 78 LEU H 1.650 . 2.600 2.477 2.043 2.609 0.009 2 0 "[ . 1]" 2
73 1 68 PHE O 1 80 GLY N 2.650 2.450 3.600 3.462 3.326 3.596 . 0 0 "[ . 1]" 2
74 1 68 PHE O 1 80 GLY H 1.650 . 2.600 2.631 2.618 2.656 0.056 2 0 "[ . 1]" 2
75 1 81 THR N 1 92 LYS O 2.600 2.400 3.550 2.847 2.719 2.954 . 0 0 "[ . 1]" 2
76 1 81 THR H 1 92 LYS O 1.500 . 2.450 2.091 1.907 2.259 . 0 0 "[ . 1]" 2
77 1 83 SER N 1 90 ILE O 2.600 2.400 3.550 2.837 2.543 3.323 . 0 0 "[ . 1]" 2
78 1 83 SER H 1 90 ILE O 1.500 . 2.450 1.915 1.605 2.426 . 0 0 "[ . 1]" 2
79 1 85 GLU H 1 88 LYS O 1.500 . 2.450 1.750 1.613 1.944 . 0 0 "[ . 1]" 2
80 1 85 GLU N 1 88 LYS O 2.600 2.400 3.550 2.656 2.579 2.834 . 0 0 "[ . 1]" 2
81 1 85 GLU O 1 88 LYS N 2.600 2.400 3.550 3.099 2.778 3.356 . 0 0 "[ . 1]" 2
82 1 85 GLU O 1 88 LYS H 1.500 . 2.450 2.239 1.956 2.464 0.014 8 0 "[ . 1]" 2
83 1 89 LEU N 1 106 ARG O 2.650 2.450 3.600 3.102 2.632 3.552 . 0 0 "[ . 1]" 2
84 1 89 LEU H 1 106 ARG O 1.650 . 2.600 2.216 1.721 2.620 0.020 8 0 "[ . 1]" 2
85 1 83 SER O 1 90 ILE N 2.600 2.400 3.550 2.622 2.526 2.757 . 0 0 "[ . 1]" 2
86 1 83 SER O 1 90 ILE H 1.500 . 2.450 1.668 1.607 1.802 . 0 0 "[ . 1]" 2
87 1 91 GLY N 1 104 THR O 2.650 2.450 3.600 2.769 2.636 2.912 . 0 0 "[ . 1]" 2
88 1 91 GLY H 1 104 THR O 1.650 . 2.600 2.006 1.671 2.342 . 0 0 "[ . 1]" 2
89 1 81 THR O 1 92 LYS N 2.600 2.400 3.550 2.605 2.458 3.143 . 0 0 "[ . 1]" 2
90 1 81 THR O 1 92 LYS H 1.500 . 2.450 1.845 1.634 2.337 . 0 0 "[ . 1]" 2
91 1 93 PHE N 1 102 LEU O 2.650 2.450 3.600 2.841 2.579 3.172 . 0 0 "[ . 1]" 2
92 1 93 PHE H 1 102 LEU O 1.650 . 2.600 1.989 1.713 2.295 . 0 0 "[ . 1]" 2
93 1 79 ARG O 1 94 LYS N 2.650 2.450 3.600 2.551 2.426 2.700 0.024 6 0 "[ . 1]" 2
94 1 79 ARG O 1 94 LYS H 1.650 . 2.600 2.374 1.983 2.599 . 0 0 "[ . 1]" 2
95 1 95 ARG N 1 100 ASN O 2.650 2.450 3.600 3.267 2.876 3.452 . 0 0 "[ . 1]" 2
96 1 95 ARG H 1 100 ASN O 1.650 . 2.600 2.424 2.035 2.613 0.013 3 0 "[ . 1]" 2
97 1 95 ARG O 1 100 ASN N 2.650 2.450 3.600 3.420 3.232 3.539 . 0 0 "[ . 1]" 2
98 1 95 ARG O 1 100 ASN H 1.650 . 2.600 2.637 2.613 2.675 0.075 5 0 "[ . 1]" 2
99 1 93 PHE O 1 102 LEU N 2.650 2.450 3.600 2.939 2.579 3.275 . 0 0 "[ . 1]" 2
100 1 93 PHE O 1 102 LEU H 1.650 . 2.600 2.373 2.103 2.602 0.002 4 0 "[ . 1]" 2
101 1 103 ASN N 1 118 VAL O 2.650 2.450 3.600 2.599 2.539 2.701 . 0 0 "[ . 1]" 2
102 1 103 ASN H 1 118 VAL O 1.650 . 2.600 1.705 1.629 1.939 0.021 5 0 "[ . 1]" 2
103 1 91 GLY O 1 104 THR N 2.650 2.450 3.600 2.672 2.484 2.908 . 0 0 "[ . 1]" 2
104 1 91 GLY O 1 104 THR H 1.650 . 2.600 2.109 1.967 2.302 . 0 0 "[ . 1]" 2
105 1 89 LEU O 1 106 ARG N 2.650 2.450 3.600 2.911 2.582 3.420 . 0 0 "[ . 1]" 2
106 1 89 LEU O 1 106 ARG H 1.650 . 2.600 2.026 1.681 2.602 0.002 4 0 "[ . 1]" 2
107 1 107 GLU N 1 114 VAL O 2.650 2.450 3.600 3.325 3.057 3.610 0.010 8 0 "[ . 1]" 2
108 1 107 GLU H 1 114 VAL O 1.650 . 2.600 2.382 2.085 2.634 0.034 8 0 "[ . 1]" 2
109 1 109 ILE N 1 112 GLU O 2.650 2.450 3.600 2.782 2.664 2.921 . 0 0 "[ . 1]" 2
110 1 109 ILE H 1 112 GLU O 1.650 . 2.600 2.325 2.239 2.439 . 0 0 "[ . 1]" 2
111 1 109 ILE O 1 112 GLU H 1.650 . 2.600 2.115 1.680 2.669 0.069 2 0 "[ . 1]" 2
112 1 109 ILE O 1 112 GLU N 2.650 2.450 3.600 3.032 2.599 3.608 0.008 2 0 "[ . 1]" 2
113 1 113 LEU H 1 128 PHE O 1.650 . 2.600 2.557 2.320 2.660 0.060 6 0 "[ . 1]" 2
114 1 113 LEU N 1 128 PHE O 2.650 2.450 3.600 3.487 3.268 3.587 . 0 0 "[ . 1]" 2
115 1 107 GLU O 1 114 VAL H 1.500 . 2.450 2.128 1.955 2.335 . 0 0 "[ . 1]" 2
116 1 107 GLU O 1 114 VAL N 2.600 2.400 3.550 3.074 2.882 3.257 . 0 0 "[ . 1]" 2
117 1 115 GLN H 1 126 ARG O 1.650 . 2.600 1.809 1.660 1.879 . 0 0 "[ . 1]" 2
118 1 115 GLN N 1 126 ARG O 2.650 2.450 3.600 2.757 2.634 2.843 . 0 0 "[ . 1]" 2
119 1 105 VAL O 1 116 THR H 1.650 . 2.600 2.078 1.715 2.460 . 0 0 "[ . 1]" 2
120 1 105 VAL O 1 116 THR N 2.650 2.450 3.600 2.985 2.640 3.414 . 0 0 "[ . 1]" 2
121 1 117 TYR H 1 124 ALA O 1.650 . 2.600 1.614 1.599 1.640 0.051 1 0 "[ . 1]" 2
122 1 117 TYR N 1 124 ALA O 2.650 2.450 3.600 2.584 2.559 2.614 . 0 0 "[ . 1]" 2
123 1 103 ASN O 1 118 VAL H 1.650 . 2.600 1.800 1.626 1.991 0.024 1 0 "[ . 1]" 2
124 1 103 ASN O 1 118 VAL N 2.650 2.450 3.600 2.690 2.505 2.883 . 0 0 "[ . 1]" 2
125 1 119 TYR H 1 122 VAL O 1.650 . 2.600 1.641 1.608 1.680 0.042 4 0 "[ . 1]" 2
126 1 119 TYR N 1 122 VAL O 2.650 2.450 3.600 2.545 2.474 2.574 . 0 0 "[ . 1]" 2
127 1 101 GLU O 1 120 GLU H 1.650 . 2.600 2.651 2.620 2.700 0.100 6 0 "[ . 1]" 2
128 1 101 GLU O 1 120 GLU N 2.650 2.450 3.600 3.410 3.313 3.557 . 0 0 "[ . 1]" 2
129 1 119 TYR O 1 122 VAL H 1.650 . 2.600 1.861 1.689 2.214 . 0 0 "[ . 1]" 2
130 1 119 TYR O 1 122 VAL N 2.650 2.450 3.600 2.690 2.501 3.021 . 0 0 "[ . 1]" 2
131 1 117 TYR O 1 124 ALA H 1.650 . 2.600 1.947 1.822 2.031 . 0 0 "[ . 1]" 2
132 1 117 TYR O 1 124 ALA N 2.650 2.450 3.600 2.718 2.596 2.780 . 0 0 "[ . 1]" 2
133 1 12 GLU O 1 125 LYS H 1.650 . 2.600 1.935 1.786 2.135 . 0 0 "[ . 1]" 2
134 1 12 GLU O 1 125 LYS N 2.650 2.450 3.600 2.661 2.563 2.827 . 0 0 "[ . 1]" 2
135 1 115 GLN O 1 126 ARG H 1.650 . 2.600 1.796 1.670 1.966 . 0 0 "[ . 1]" 2
136 1 115 GLN O 1 126 ARG N 2.650 2.450 3.600 2.618 2.581 2.686 . 0 0 "[ . 1]" 2
137 1 10 ARG O 1 127 ILE H 1.500 . 2.450 2.381 2.232 2.480 0.030 10 0 "[ . 1]" 2
138 1 10 ARG O 1 127 ILE N 2.600 2.400 3.550 3.063 2.951 3.204 . 0 0 "[ . 1]" 2
139 1 113 LEU O 1 128 PHE H 1.650 . 2.600 1.979 1.729 2.271 . 0 0 "[ . 1]" 2
140 1 113 LEU O 1 128 PHE N 2.650 2.450 3.600 2.719 2.590 2.803 . 0 0 "[ . 1]" 2
141 1 7 LYS O 1 129 LYS H 1.500 . 2.450 2.464 2.313 2.525 0.075 8 0 "[ . 1]" 2
142 1 7 LYS O 1 129 LYS N 2.600 2.400 3.550 3.315 3.205 3.421 . 0 0 "[ . 1]" 2
143 1 4 SER H 1 40 ILE O 1.650 . 2.600 2.075 1.846 2.386 . 0 0 "[ . 1]" 2
144 1 4 SER N 1 40 ILE O 2.650 2.450 3.600 2.747 2.552 3.035 . 0 0 "[ . 1]" 2
145 1 24 ASN O 1 28 ARG H 1.650 . 2.600 2.381 1.838 2.653 0.053 6 0 "[ . 1]" 2
146 1 24 ASN O 1 28 ARG N 2.650 2.450 3.600 3.197 2.757 3.416 . 0 0 "[ . 1]" 2
147 1 25 ILE O 1 29 LYS H 1.650 . 2.600 1.789 1.689 2.046 . 0 0 "[ . 1]" 2
148 1 25 ILE O 1 29 LYS N 2.650 2.450 3.600 2.567 2.459 2.774 . 0 0 "[ . 1]" 2
149 1 28 ARG O 1 32 ALA H 1.650 . 2.600 1.772 1.650 1.897 . 0 0 "[ . 1]" 2
150 1 28 ARG O 1 32 ALA N 2.650 2.450 3.600 2.541 2.498 2.593 . 0 0 "[ . 1]" 2
151 1 66 VAL O 1 82 TRP H 1.650 . 2.600 2.572 2.363 2.639 0.039 5 0 "[ . 1]" 2
152 1 66 VAL O 1 82 TRP N 2.650 2.450 3.600 3.340 3.092 3.554 . 0 0 "[ . 1]" 2
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