NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630387 |
5zr0   |
36181 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zr0
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 1155
_Distance_constraint_stats_list.Viol_count 945
_Distance_constraint_stats_list.Viol_total 1463.586
_Distance_constraint_stats_list.Viol_max 0.368
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0774
_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 2 ILE 3.191 0.339 12 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 1.194 0.256 14 0 "[ . 1 . 2]"
1 16 ILE 3.056 0.339 12 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 0.697 0.167 18 0 "[ . 1 . 2]"
1 20 TRP 0.027 0.019 17 0 "[ . 1 . 2]"
1 21 ALA 0.137 0.137 8 0 "[ . 1 . 2]"
1 22 TRP 0.651 0.135 14 0 "[ . 1 . 2]"
1 23 SER 0.683 0.137 8 0 "[ . 1 . 2]"
1 24 ASN 0.743 0.197 5 0 "[ . 1 . 2]"
1 25 ILE 2.693 0.296 2 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.437 0.202 6 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 2.482 0.296 2 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 1.130 0.206 8 0 "[ . 1 . 2]"
1 42 ALA 0.094 0.094 10 0 "[ . 1 . 2]"
1 43 THR 1.296 0.176 6 0 "[ . 1 . 2]"
1 44 TRP 5.770 0.346 8 0 "[ . 1 . 2]"
1 45 LYS 1.616 0.216 10 0 "[ . 1 . 2]"
1 46 GLU 0.573 0.368 17 0 "[ . 1 . 2]"
1 47 LYS 0.555 0.093 20 0 "[ . 1 . 2]"
1 48 ASP 0.237 0.094 20 0 "[ . 1 . 2]"
1 49 GLY 0.232 0.094 20 0 "[ . 1 . 2]"
1 50 ALA 0.228 0.095 14 0 "[ . 1 . 2]"
1 51 VAL 0.542 0.099 9 0 "[ . 1 . 2]"
1 52 GLU 3.608 0.271 11 0 "[ . 1 . 2]"
1 53 ALA 0.483 0.199 16 0 "[ . 1 . 2]"
1 54 GLU 0.219 0.202 20 0 "[ . 1 . 2]"
1 55 ASP 2.597 0.271 11 0 "[ . 1 . 2]"
1 56 ARG 2.081 0.231 20 0 "[ . 1 . 2]"
1 57 VAL 2.104 0.167 10 0 "[ . 1 . 2]"
1 58 THR 3.435 0.232 10 0 "[ . 1 . 2]"
1 59 ILE 5.524 0.326 10 0 "[ . 1 . 2]"
1 60 ASP 3.478 0.192 2 0 "[ . 1 . 2]"
1 61 PHE 1.123 0.184 19 0 "[ . 1 . 2]"
1 62 THR 0.715 0.143 19 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 1.912 0.182 9 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.203 0.057 14 0 "[ . 1 . 2]"
1 68 GLU 2.069 0.199 11 0 "[ . 1 . 2]"
1 69 GLU 0.023 0.023 9 0 "[ . 1 . 2]"
1 70 PHE 3.409 0.234 7 0 "[ . 1 . 2]"
1 71 GLU 0.589 0.141 19 0 "[ . 1 . 2]"
1 72 GLY 0.105 0.105 1 0 "[ . 1 . 2]"
1 73 GLY 1.499 0.234 7 0 "[ . 1 . 2]"
1 74 LYS 2.322 0.143 19 0 "[ . 1 . 2]"
1 75 ALA 0.400 0.081 12 0 "[ . 1 . 2]"
1 76 SER 0.523 0.141 11 0 "[ . 1 . 2]"
1 77 ASP 2.990 0.225 13 0 "[ . 1 . 2]"
1 78 PHE 0.741 0.117 15 0 "[ . 1 . 2]"
1 79 VAL 1.513 0.159 8 0 "[ . 1 . 2]"
1 80 LEU 1.333 0.137 8 0 "[ . 1 . 2]"
1 81 ALA 2.215 0.310 9 0 "[ . 1 . 2]"
1 82 MET 1.295 0.310 9 0 "[ . 1 . 2]"
1 83 GLY 1.430 0.156 13 0 "[ . 1 . 2]"
1 84 GLN 2.115 0.156 13 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 1.668 0.281 14 0 "[ . 1 . 2]"
1 87 MET 0.045 0.029 1 0 "[ . 1 . 2]"
1 88 ILE 0.868 0.228 17 0 "[ . 1 . 2]"
1 89 PRO 0.440 0.123 20 0 "[ . 1 . 2]"
1 90 GLY 0.324 0.164 17 0 "[ . 1 . 2]"
1 91 PHE 0.886 0.228 17 0 "[ . 1 . 2]"
1 92 GLU 0.020 0.020 13 0 "[ . 1 . 2]"
1 93 ASP 0.256 0.084 14 0 "[ . 1 . 2]"
1 94 GLY 0.378 0.074 15 0 "[ . 1 . 2]"
1 95 ILE 5.972 0.247 11 0 "[ . 1 . 2]"
1 96 LYS 0.752 0.102 16 0 "[ . 1 . 2]"
1 97 GLY 0.048 0.048 3 0 "[ . 1 . 2]"
1 98 HIS 1.364 0.186 12 0 "[ . 1 . 2]"
1 99 LYS 0.453 0.095 14 0 "[ . 1 . 2]"
1 100 ALA 0.426 0.112 12 0 "[ . 1 . 2]"
1 101 GLY 0.695 0.141 17 0 "[ . 1 . 2]"
1 102 GLU 2.385 0.182 20 0 "[ . 1 . 2]"
1 103 GLU 3.351 0.246 17 0 "[ . 1 . 2]"
1 104 PHE 4.048 0.182 20 0 "[ . 1 . 2]"
1 105 THR 1.690 0.136 17 0 "[ . 1 . 2]"
1 106 ILE 0.799 0.074 15 0 "[ . 1 . 2]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.760 0.164 17 0 "[ . 1 . 2]"
1 109 THR 0.261 0.113 11 0 "[ . 1 . 2]"
1 110 PHE 1.312 0.167 18 0 "[ . 1 . 2]"
1 111 PRO 0.396 0.139 11 0 "[ . 1 . 2]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 0.012 0.012 9 0 "[ . 1 . 2]"
1 114 TYR 0.556 0.143 1 0 "[ . 1 . 2]"
1 115 HIS 0.161 0.070 1 0 "[ . 1 . 2]"
1 116 ALA 0.121 0.083 2 0 "[ . 1 . 2]"
1 117 GLU 0.038 0.038 18 0 "[ . 1 . 2]"
1 118 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LEU 0.736 0.254 7 0 "[ . 1 . 2]"
1 120 LYS 1.789 0.167 14 0 "[ . 1 . 2]"
1 121 GLY 0.595 0.123 7 0 "[ . 1 . 2]"
1 122 LYS 3.443 0.254 7 0 "[ . 1 . 2]"
1 123 ALA 0.113 0.113 11 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LYS 0.223 0.114 7 0 "[ . 1 . 2]"
1 126 PHE 1.098 0.184 19 0 "[ . 1 . 2]"
1 127 ALA 0.059 0.059 13 0 "[ . 1 . 2]"
1 128 ILE 2.708 0.192 2 0 "[ . 1 . 2]"
1 129 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 LEU 3.933 0.246 17 0 "[ . 1 . 2]"
1 131 LYS 5.132 0.326 10 0 "[ . 1 . 2]"
1 132 LYS 2.408 0.306 11 0 "[ . 1 . 2]"
1 133 VAL 0.039 0.039 11 0 "[ . 1 . 2]"
1 134 GLU 1.325 0.368 17 0 "[ . 1 . 2]"
1 135 GLU 1.062 0.264 10 0 "[ . 1 . 2]"
1 136 ARG 2.231 0.271 8 0 "[ . 1 . 2]"
1 137 GLU 2.925 0.346 8 0 "[ . 1 . 2]"
1 138 LEU 0.855 0.271 8 0 "[ . 1 . 2]"
1 139 PRO 0.972 0.204 17 0 "[ . 1 . 2]"
1 140 GLU 0.896 0.288 5 0 "[ . 1 . 2]"
1 141 LEU 0.567 0.288 5 0 "[ . 1 . 2]"
1 142 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 70 PHE QE 1 124 ALA MB 4.480 . 4.930 3.424 3.091 3.811 . 0 0 "[ . 1 . 2]" 1
2 1 108 VAL HB 1 126 PHE QE 4.570 . 5.030 4.417 4.171 4.759 . 0 0 "[ . 1 . 2]" 1
3 1 126 PHE HB3 1 126 PHE QE 4.710 . 5.180 4.501 4.473 4.528 . 0 0 "[ . 1 . 2]" 1
4 1 61 PHE QE 1 126 PHE QE 5.500 . 6.050 4.523 3.885 5.431 . 0 0 "[ . 1 . 2]" 1
5 1 104 PHE QE 1 106 ILE HB 5.020 . 5.520 4.709 4.476 4.972 . 0 0 "[ . 1 . 2]" 1
6 1 114 TYR QE 1 119 LEU HG 4.010 . 4.410 3.226 2.175 3.860 . 0 0 "[ . 1 . 2]" 1
7 1 114 TYR QE 1 119 LEU MD2 3.970 . 4.370 3.855 2.672 4.513 0.143 1 0 "[ . 1 . 2]" 1
8 1 95 ILE HA 1 98 HIS HD1 4.150 . 4.650 4.612 4.311 4.836 0.186 12 0 "[ . 1 . 2]" 1
9 1 51 VAL MG2 1 98 HIS HD1 4.550 . 5.010 4.410 4.116 4.801 . 0 0 "[ . 1 . 2]" 1
10 1 69 GLU HA 1 70 PHE QD 4.210 . 4.630 3.022 2.698 3.314 . 0 0 "[ . 1 . 2]" 1
11 1 65 VAL MG2 1 70 PHE QD 4.340 . 4.770 4.369 4.086 4.652 . 0 0 "[ . 1 . 2]" 1
12 1 61 PHE H 1 61 PHE QD 3.970 . 4.370 3.116 2.612 3.469 . 0 0 "[ . 1 . 2]" 1
13 1 61 PHE HA 1 61 PHE QD 4.120 . 4.530 3.804 3.775 3.826 . 0 0 "[ . 1 . 2]" 1
14 1 61 PHE QD 1 91 PHE HZ 4.180 . 4.600 3.290 2.594 3.877 . 0 0 "[ . 1 . 2]" 1
15 1 60 ASP HA 1 61 PHE QD 4.180 . 4.600 3.632 3.281 3.960 . 0 0 "[ . 1 . 2]" 1
16 1 61 PHE QD 1 126 PHE HB3 5.500 . 6.050 4.939 4.240 5.272 . 0 0 "[ . 1 . 2]" 1
17 1 59 ILE HB 1 61 PHE QD 5.090 . 5.600 4.451 3.959 5.059 . 0 0 "[ . 1 . 2]" 1
18 1 59 ILE QG 1 61 PHE QD 4.330 . 4.760 3.930 2.434 4.400 . 0 0 "[ . 1 . 2]" 1
19 1 59 ILE MD 1 61 PHE QD 3.360 . 3.700 2.124 1.954 2.313 . 0 0 "[ . 1 . 2]" 1
20 1 61 PHE QD 1 75 ALA MB 4.920 . 5.410 3.825 3.502 3.972 . 0 0 "[ . 1 . 2]" 1
21 1 43 THR HA 1 44 TRP HD1 4.510 . 4.960 3.568 2.834 4.436 . 0 0 "[ . 1 . 2]" 1
22 1 44 TRP HB2 1 44 TRP HD1 3.880 . 4.270 3.157 2.717 3.821 . 0 0 "[ . 1 . 2]" 1
23 1 42 ALA MB 1 44 TRP HD1 4.110 . 4.520 3.490 2.726 4.614 0.094 10 0 "[ . 1 . 2]" 1
24 1 44 TRP HZ2 1 56 ARG HA 5.230 . 5.750 5.452 4.890 5.921 0.171 10 0 "[ . 1 . 2]" 1
25 1 44 TRP HZ2 1 58 THR HA 5.500 . 6.050 5.149 3.819 6.108 0.058 17 0 "[ . 1 . 2]" 1
26 1 44 TRP HH2 1 56 ARG HA 4.820 . 5.300 4.085 3.631 4.690 . 0 0 "[ . 1 . 2]" 1
27 1 44 TRP HH2 1 81 ALA MB 4.850 . 5.330 4.827 3.833 5.421 0.091 3 0 "[ . 1 . 2]" 1
28 1 64 SER H 1 70 PHE QE 4.370 . 4.810 3.544 3.013 4.126 . 0 0 "[ . 1 . 2]" 1
29 1 64 SER HA 1 70 PHE QE 4.350 . 4.780 2.839 2.512 3.419 . 0 0 "[ . 1 . 2]" 1
30 1 70 PHE QE 1 74 LYS QE 4.570 . 5.030 4.302 3.684 5.087 0.057 16 0 "[ . 1 . 2]" 1
31 1 65 VAL MG2 1 70 PHE QE 5.500 . 6.050 4.315 3.824 4.850 . 0 0 "[ . 1 . 2]" 1
32 1 114 TYR QD 1 116 ALA MB 3.690 . 4.060 2.891 2.273 3.609 . 0 0 "[ . 1 . 2]" 1
33 1 114 TYR QD 1 119 LEU QB 4.620 . 5.080 2.955 2.182 3.783 . 0 0 "[ . 1 . 2]" 1
34 1 61 PHE QD 1 91 PHE QE 4.800 . 5.280 3.889 2.913 4.490 . 0 0 "[ . 1 . 2]" 1
35 1 115 HIS H 1 115 HIS HD1 3.860 . 4.250 3.333 1.919 4.320 0.070 1 0 "[ . 1 . 2]" 1
36 1 110 PHE HZ 1 126 PHE HZ 4.420 . 4.860 2.802 2.278 3.646 . 0 0 "[ . 1 . 2]" 1
37 1 61 PHE QD 1 126 PHE QE 4.640 . 5.100 3.027 2.480 3.759 . 0 0 "[ . 1 . 2]" 1
38 1 114 TYR QD 1 115 HIS H 3.740 . 4.110 2.807 1.901 3.417 . 0 0 "[ . 1 . 2]" 1
39 1 61 PHE QE 1 91 PHE QE 4.110 . 4.520 4.035 3.476 4.504 . 0 0 "[ . 1 . 2]" 1
40 1 98 HIS HD1 1 104 PHE HZ 4.900 . 5.270 5.104 4.578 5.334 0.064 7 0 "[ . 1 . 2]" 1
41 1 20 TRP HH2 1 126 PHE QE 3.590 . 3.950 3.303 2.535 3.969 0.019 17 0 "[ . 1 . 2]" 1
42 1 61 PHE HZ 1 75 ALA MB 4.150 . 4.570 2.508 2.360 2.793 . 0 0 "[ . 1 . 2]" 1
43 1 91 PHE QE 1 108 VAL MG1 5.200 . 5.720 3.496 2.501 4.353 . 0 0 "[ . 1 . 2]" 1
44 1 91 PHE QE 1 108 VAL MG2 5.500 . 6.050 3.972 2.256 5.097 . 0 0 "[ . 1 . 2]" 1
45 1 91 PHE QE 1 106 ILE MD 4.590 . 5.050 3.212 2.666 3.947 . 0 0 "[ . 1 . 2]" 1
46 1 59 ILE MD 1 91 PHE HZ 3.680 . 4.050 3.247 2.199 4.013 . 0 0 "[ . 1 . 2]" 1
47 1 88 ILE MD 1 91 PHE HZ 4.480 . 4.930 4.000 3.281 5.158 0.228 17 0 "[ . 1 . 2]" 1
48 1 51 VAL MG2 1 98 HIS HE1 4.650 . 5.120 4.783 4.385 5.094 . 0 0 "[ . 1 . 2]" 1
49 1 57 VAL MG1 1 98 HIS HE1 5.250 . 5.780 5.525 4.753 5.850 0.070 7 0 "[ . 1 . 2]" 1
50 1 98 HIS HE1 1 104 PHE HZ 4.300 . 4.730 2.806 2.353 3.018 . 0 0 "[ . 1 . 2]" 1
51 1 104 PHE QD 1 106 ILE MG 3.170 . 3.490 1.832 1.716 2.148 . 0 0 "[ . 1 . 2]" 1
52 1 102 GLU HB3 1 104 PHE QD 4.550 . 4.990 5.013 4.729 5.172 0.182 20 0 "[ . 1 . 2]" 1
53 1 57 VAL MG1 1 104 PHE HZ 5.100 . 5.700 5.554 4.821 5.851 0.151 17 0 "[ . 1 . 2]" 1
54 1 104 PHE HZ 1 130 LEU HG 5.180 . 5.700 3.172 2.489 4.844 . 0 0 "[ . 1 . 2]" 1
55 1 102 GLU HA 1 104 PHE QD 5.430 . 5.970 5.110 4.809 5.286 . 0 0 "[ . 1 . 2]" 1
56 1 104 PHE QD 1 106 ILE HA 4.690 . 5.160 4.380 3.973 4.523 . 0 0 "[ . 1 . 2]" 1
57 1 104 PHE HA 1 104 PHE QD 3.740 . 4.110 3.782 3.764 3.798 . 0 0 "[ . 1 . 2]" 1
58 1 103 GLU HA 1 104 PHE QD 4.030 . 4.430 3.216 2.838 3.665 . 0 0 "[ . 1 . 2]" 1
59 1 104 PHE H 1 104 PHE QD 3.510 . 3.860 3.131 2.870 3.397 . 0 0 "[ . 1 . 2]" 1
60 1 104 PHE QD 1 105 THR H 3.930 . 4.320 3.516 3.352 3.723 . 0 0 "[ . 1 . 2]" 1
61 1 110 PHE QD 1 111 PRO HG3 5.300 . 5.830 5.536 4.950 5.969 0.139 11 0 "[ . 1 . 2]" 1
62 1 110 PHE QD 1 111 PRO HG2 5.300 . 5.830 5.097 4.713 5.482 . 0 0 "[ . 1 . 2]" 1
63 1 88 ILE MG 1 110 PHE QD 4.350 . 4.780 2.117 1.662 2.720 . 0 0 "[ . 1 . 2]" 1
64 1 110 PHE H 1 110 PHE QD 3.880 . 4.270 2.851 2.121 3.501 . 0 0 "[ . 1 . 2]" 1
65 1 114 TYR QE 1 119 LEU QB 4.380 . 4.820 2.863 2.046 4.006 . 0 0 "[ . 1 . 2]" 1
66 1 106 ILE MD 1 126 PHE QD 4.510 . 4.960 3.072 2.472 3.698 . 0 0 "[ . 1 . 2]" 1
67 1 108 VAL MG1 1 126 PHE QD 4.470 . 4.920 3.138 2.561 3.937 . 0 0 "[ . 1 . 2]" 1
68 1 124 ALA MB 1 126 PHE QD 4.420 . 4.860 3.939 3.705 4.190 . 0 0 "[ . 1 . 2]" 1
69 1 61 PHE QB 1 126 PHE QD 3.990 . 4.390 2.910 2.762 3.009 . 0 0 "[ . 1 . 2]" 1
70 1 61 PHE QE 1 78 PHE QD 4.780 . 5.260 2.890 2.389 3.193 . 0 0 "[ . 1 . 2]" 1
71 1 90 GLY QA 1 91 PHE QD 5.400 . 5.940 4.611 3.945 5.307 . 0 0 "[ . 1 . 2]" 1
72 1 61 PHE QB 1 91 PHE HZ 4.820 . 5.300 3.257 1.874 4.488 . 0 0 "[ . 1 . 2]" 1
73 1 78 PHE QD 1 91 PHE QE 5.430 . 5.970 4.332 2.999 5.243 . 0 0 "[ . 1 . 2]" 1
74 1 78 PHE QD 1 91 PHE HZ 5.500 . 6.050 4.792 4.328 5.445 . 0 0 "[ . 1 . 2]" 1
75 1 44 TRP HZ2 1 58 THR H 5.800 . 6.260 5.702 4.379 6.470 0.210 10 0 "[ . 1 . 2]" 1
76 1 114 TYR QE 1 116 ALA MB 3.550 . 3.900 2.854 2.297 3.524 . 0 0 "[ . 1 . 2]" 1
77 1 88 ILE MG 1 110 PHE QE 3.300 . 3.630 2.816 2.252 3.353 . 0 0 "[ . 1 . 2]" 1
78 1 41 GLN HA 1 137 GLU QG 4.310 . 4.740 4.456 3.575 4.917 0.177 6 0 "[ . 1 . 2]" 1
79 1 41 GLN HA 1 41 GLN QG 3.550 . 3.900 3.196 2.411 3.578 . 0 0 "[ . 1 . 2]" 1
80 1 41 GLN QG 1 137 GLU QG 4.220 . 4.640 3.512 2.265 4.692 0.052 4 0 "[ . 1 . 2]" 1
81 1 41 GLN QG 1 42 ALA H 5.030 . 5.530 3.986 2.482 5.110 . 0 0 "[ . 1 . 2]" 1
82 1 56 ARG HA 1 81 ALA HA 3.510 . 3.860 2.123 1.758 2.523 . 0 0 "[ . 1 . 2]" 1
83 1 57 VAL H 1 81 ALA HA 4.220 . 4.640 3.487 3.072 3.875 . 0 0 "[ . 1 . 2]" 1
84 1 42 ALA MB 1 44 TRP H 5.490 . 6.040 5.304 4.868 5.760 . 0 0 "[ . 1 . 2]" 1
85 1 42 ALA H 1 42 ALA MB 3.390 . 3.730 2.341 2.233 2.842 . 0 0 "[ . 1 . 2]" 1
86 1 43 THR HB 1 44 TRP H 4.210 . 4.630 4.107 3.905 4.314 . 0 0 "[ . 1 . 2]" 1
87 1 43 THR HB 1 137 GLU QB 4.970 . 5.470 4.997 3.968 5.592 0.122 20 0 "[ . 1 . 2]" 1
88 1 79 VAL HA 1 80 LEU H 3.360 . 3.700 2.152 2.080 2.194 . 0 0 "[ . 1 . 2]" 1
89 1 43 THR MG 1 44 TRP H 3.590 . 3.950 3.795 2.340 4.126 0.176 6 0 "[ . 1 . 2]" 1
90 1 76 SER HA 1 78 PHE H 4.470 . 4.920 3.824 3.514 4.892 . 0 0 "[ . 1 . 2]" 1
91 1 61 PHE H 1 76 SER HA 4.290 . 4.720 3.504 3.165 4.192 . 0 0 "[ . 1 . 2]" 1
92 1 60 ASP HB3 1 76 SER HA 4.150 . 4.570 4.532 4.300 4.711 0.141 11 0 "[ . 1 . 2]" 1
93 1 60 ASP HB2 1 76 SER HA 4.200 . 4.620 3.749 3.071 4.119 . 0 0 "[ . 1 . 2]" 1
94 1 44 TRP HB3 1 137 GLU QG 5.900 . 6.450 6.122 4.445 6.796 0.346 8 0 "[ . 1 . 2]" 1
95 1 43 THR MG 1 44 TRP HB2 5.500 . 6.050 5.664 4.216 5.987 . 0 0 "[ . 1 . 2]" 1
96 1 45 LYS HA 1 46 GLU HA 4.460 . 4.910 4.298 4.156 4.425 . 0 0 "[ . 1 . 2]" 1
97 1 44 TRP HB2 1 45 LYS HA 4.550 . 5.010 4.920 4.661 5.104 0.094 14 0 "[ . 1 . 2]" 1
98 1 60 ASP H 1 60 ASP HB3 4.090 . 4.500 2.775 2.472 2.906 . 0 0 "[ . 1 . 2]" 1
99 1 60 ASP HB3 1 61 PHE H 4.570 . 5.030 3.820 3.344 4.339 . 0 0 "[ . 1 . 2]" 1
100 1 46 GLU HA 1 47 LYS H 3.030 . 3.330 2.168 2.115 2.227 . 0 0 "[ . 1 . 2]" 1
101 1 68 GLU HA 1 69 GLU H 2.990 . 3.290 2.216 2.146 2.252 . 0 0 "[ . 1 . 2]" 1
102 1 47 LYS QG 1 133 VAL HA 5.460 . 6.010 4.282 3.110 5.178 . 0 0 "[ . 1 . 2]" 1
103 1 74 LYS QG 1 75 ALA HA 4.220 . 4.640 3.887 3.640 4.176 . 0 0 "[ . 1 . 2]" 1
104 1 50 ALA HA 1 51 VAL HB 5.110 . 5.620 4.896 4.766 5.058 . 0 0 "[ . 1 . 2]" 1
105 1 50 ALA HA 1 51 VAL H 2.970 . 3.270 2.327 2.222 2.472 . 0 0 "[ . 1 . 2]" 1
106 1 51 VAL HB 1 98 HIS H 4.650 . 5.120 3.473 2.850 4.072 . 0 0 "[ . 1 . 2]" 1
107 1 51 VAL MG1 1 98 HIS H 5.120 . 5.630 4.929 4.284 5.442 . 0 0 "[ . 1 . 2]" 1
108 1 51 VAL MG1 1 96 LYS H 4.990 . 5.490 4.544 4.189 5.288 . 0 0 "[ . 1 . 2]" 1
109 1 51 VAL MG1 1 52 GLU HA 4.570 . 5.030 4.114 3.829 4.239 . 0 0 "[ . 1 . 2]" 1
110 1 51 VAL HA 1 51 VAL MG1 3.090 . 3.400 2.429 2.364 2.492 . 0 0 "[ . 1 . 2]" 1
111 1 51 VAL MG1 1 96 LYS HA 3.390 . 3.730 3.031 2.557 3.764 0.034 3 0 "[ . 1 . 2]" 1
112 1 51 VAL MG1 1 52 GLU HG3 5.360 . 5.900 5.490 4.378 5.999 0.099 9 0 "[ . 1 . 2]" 1
113 1 51 VAL MG1 1 52 GLU HG2 5.500 . 6.050 4.847 4.499 5.520 . 0 0 "[ . 1 . 2]" 1
114 1 51 VAL MG1 1 95 ILE HB 3.710 . 4.080 3.298 2.610 3.999 . 0 0 "[ . 1 . 2]" 1
115 1 113 GLU HA 1 113 GLU QG 3.090 . 3.400 2.765 2.485 3.412 0.012 9 0 "[ . 1 . 2]" 1
116 1 52 GLU HB2 1 53 ALA HA 5.090 . 5.600 5.109 4.836 5.347 . 0 0 "[ . 1 . 2]" 1
117 1 52 GLU HB3 1 53 ALA H 4.360 . 4.800 2.185 2.032 2.423 . 0 0 "[ . 1 . 2]" 1
118 1 52 GLU HB3 1 96 LYS QE 5.500 . 6.050 5.591 3.720 6.152 0.102 16 0 "[ . 1 . 2]" 1
119 1 52 GLU HB3 1 53 ALA MB 4.740 . 5.210 3.846 3.578 4.051 . 0 0 "[ . 1 . 2]" 1
120 1 52 GLU HA 1 52 GLU HG3 3.460 . 3.810 3.683 3.183 3.876 0.066 1 0 "[ . 1 . 2]" 1
121 1 52 GLU HG3 1 53 ALA H 4.520 . 4.970 4.644 4.431 4.932 . 0 0 "[ . 1 . 2]" 1
122 1 52 GLU H 1 52 GLU HG3 4.130 . 4.540 3.494 2.228 4.360 . 0 0 "[ . 1 . 2]" 1
123 1 4 GLU QG 1 5 ALA H 4.760 . 5.240 4.093 3.516 4.571 . 0 0 "[ . 1 . 2]" 1
124 1 53 ALA HA 1 82 MET QG 4.490 . 4.940 3.928 3.228 4.902 . 0 0 "[ . 1 . 2]" 1
125 1 53 ALA HA 1 96 LYS QE 3.860 . 4.250 2.347 1.750 3.904 . 0 0 "[ . 1 . 2]" 1
126 1 52 GLU H 1 53 ALA HA 5.500 . 6.050 5.559 5.301 5.715 . 0 0 "[ . 1 . 2]" 1
127 1 52 GLU HA 1 53 ALA MB 4.310 . 4.740 4.191 4.123 4.343 . 0 0 "[ . 1 . 2]" 1
128 1 53 ALA MB 1 96 LYS QE 3.990 . 4.390 2.594 2.104 3.182 . 0 0 "[ . 1 . 2]" 1
129 1 52 GLU HB2 1 53 ALA MB 4.850 . 5.330 4.701 4.369 4.883 . 0 0 "[ . 1 . 2]" 1
130 1 50 ALA MB 1 99 LYS HA 4.890 . 5.380 4.190 3.520 4.762 . 0 0 "[ . 1 . 2]" 1
131 1 117 GLU HB2 1 118 ASN HA 4.140 . 4.550 4.370 4.178 4.548 . 0 0 "[ . 1 . 2]" 1
132 1 46 GLU HA 1 134 GLU QG 4.130 . 4.540 2.819 1.951 3.884 . 0 0 "[ . 1 . 2]" 1
133 1 103 GLU HG3 1 104 PHE H 3.860 . 4.250 2.743 2.409 2.978 . 0 0 "[ . 1 . 2]" 1
134 1 51 VAL MG1 1 55 ASP HA 4.630 . 5.090 4.672 4.344 5.110 0.020 12 0 "[ . 1 . 2]" 1
135 1 52 GLU HB3 1 55 ASP HA 5.100 . 5.540 5.584 5.467 5.703 0.163 9 0 "[ . 1 . 2]" 1
136 1 52 GLU HG2 1 55 ASP HA 5.500 . 6.050 5.822 5.428 6.321 0.271 11 0 "[ . 1 . 2]" 1
137 1 57 VAL HA 1 57 VAL MG1 3.300 . 3.630 3.265 3.254 3.275 . 0 0 "[ . 1 . 2]" 1
138 1 57 VAL HA 1 58 THR HB 5.120 . 5.630 4.804 4.706 4.892 . 0 0 "[ . 1 . 2]" 1
139 1 51 VAL MG2 1 57 VAL MG1 2.560 . 2.820 2.245 1.826 2.844 0.024 16 0 "[ . 1 . 2]" 1
140 1 57 VAL MG1 1 95 ILE HA 4.350 . 4.780 4.572 3.725 4.893 0.113 10 0 "[ . 1 . 2]" 1
141 1 57 VAL MG1 1 95 ILE H 5.500 . 6.050 5.355 4.971 5.583 . 0 0 "[ . 1 . 2]" 1
142 1 57 VAL MG1 1 58 THR H 4.610 . 5.070 3.780 3.474 4.091 . 0 0 "[ . 1 . 2]" 1
143 1 56 ARG HA 1 57 VAL MG1 4.680 . 5.150 3.697 3.479 3.982 . 0 0 "[ . 1 . 2]" 1
144 1 57 VAL MG1 1 95 ILE HB 4.250 . 4.680 2.508 1.793 2.919 . 0 0 "[ . 1 . 2]" 1
145 1 57 VAL MG1 1 58 THR HA 4.580 . 5.040 4.259 3.977 4.491 . 0 0 "[ . 1 . 2]" 1
146 1 58 THR HA 1 59 ILE QG 4.190 . 4.610 3.738 3.444 4.172 . 0 0 "[ . 1 . 2]" 1
147 1 58 THR HA 1 131 LYS HB3 4.640 . 5.100 4.654 4.411 5.243 0.143 9 0 "[ . 1 . 2]" 1
148 1 58 THR HA 1 59 ILE HA 4.720 . 5.190 4.476 4.425 4.511 . 0 0 "[ . 1 . 2]" 1
149 1 58 THR HB 1 59 ILE HA 4.550 . 5.010 4.851 4.589 5.042 0.032 1 0 "[ . 1 . 2]" 1
150 1 58 THR HB 1 131 LYS HB3 4.540 . 4.990 3.177 2.615 3.536 . 0 0 "[ . 1 . 2]" 1
151 1 50 ALA MB 1 51 VAL H 3.930 . 4.320 2.569 2.338 2.953 . 0 0 "[ . 1 . 2]" 1
152 1 50 ALA MB 1 51 VAL HA 4.420 . 4.860 4.346 4.210 4.529 . 0 0 "[ . 1 . 2]" 1
153 1 59 ILE HA 1 59 ILE MG 3.380 . 3.720 2.338 2.258 2.522 . 0 0 "[ . 1 . 2]" 1
154 1 59 ILE HA 1 131 LYS QG 4.790 . 5.270 4.283 2.461 5.052 . 0 0 "[ . 1 . 2]" 1
155 1 59 ILE HA 1 131 LYS HB3 4.760 . 5.240 3.222 2.654 4.220 . 0 0 "[ . 1 . 2]" 1
156 1 59 ILE HA 1 60 ASP HB2 4.730 . 5.200 4.226 3.988 4.514 . 0 0 "[ . 1 . 2]" 1
157 1 59 ILE HA 1 131 LYS QE 5.070 . 5.580 5.294 4.476 5.906 0.326 10 0 "[ . 1 . 2]" 1
158 1 59 ILE HB 1 130 LEU HG 5.350 . 5.890 4.237 3.472 5.038 . 0 0 "[ . 1 . 2]" 1
159 1 59 ILE MG 1 131 LYS HB3 4.760 . 5.160 4.737 4.188 5.452 0.292 9 0 "[ . 1 . 2]" 1
160 1 59 ILE MG 1 130 LEU HG 3.200 . 3.520 2.335 1.766 3.693 0.173 13 0 "[ . 1 . 2]" 1
161 1 59 ILE QG 1 78 PHE H 5.200 . 5.720 4.519 3.292 5.227 . 0 0 "[ . 1 . 2]" 1
162 1 59 ILE MG 1 60 ASP H 3.760 . 4.140 3.537 3.358 3.815 . 0 0 "[ . 1 . 2]" 1
163 1 59 ILE MG 1 131 LYS H 3.960 . 4.360 3.375 2.225 4.297 . 0 0 "[ . 1 . 2]" 1
164 1 59 ILE H 1 59 ILE MG 4.130 . 4.540 2.950 2.259 3.480 . 0 0 "[ . 1 . 2]" 1
165 1 59 ILE H 1 59 ILE MD 4.630 . 5.090 3.275 2.790 3.966 . 0 0 "[ . 1 . 2]" 1
166 1 59 ILE MD 1 61 PHE QE 4.710 . 5.180 3.081 2.662 3.745 . 0 0 "[ . 1 . 2]" 1
167 1 59 ILE MD 1 91 PHE QE 3.740 . 4.110 3.030 2.212 3.949 . 0 0 "[ . 1 . 2]" 1
168 1 58 THR HA 1 59 ILE MG 4.770 . 5.250 3.961 3.671 4.387 . 0 0 "[ . 1 . 2]" 1
169 1 58 THR HA 1 59 ILE MD 5.500 . 6.050 4.938 4.436 5.628 . 0 0 "[ . 1 . 2]" 1
170 1 59 ILE MD 1 78 PHE HB3 4.530 . 4.980 2.410 2.079 3.077 . 0 0 "[ . 1 . 2]" 1
171 1 59 ILE MD 1 61 PHE QB 4.120 . 4.530 2.921 2.516 3.387 . 0 0 "[ . 1 . 2]" 1
172 1 59 ILE MD 1 60 ASP HB2 5.310 . 5.840 5.147 4.642 5.981 0.141 1 0 "[ . 1 . 2]" 1
173 1 59 ILE MD 1 126 PHE HB3 5.500 . 6.050 5.910 5.414 6.191 0.141 4 0 "[ . 1 . 2]" 1
174 1 59 ILE MD 1 128 ILE MG 4.400 . 4.820 4.583 4.024 4.960 0.140 3 0 "[ . 1 . 2]" 1
175 1 59 ILE MD 1 88 ILE MD 5.470 . 6.020 5.885 5.195 6.129 0.109 8 0 "[ . 1 . 2]" 1
176 1 60 ASP HA 1 75 ALA MB 4.970 . 5.470 4.840 4.315 5.114 . 0 0 "[ . 1 . 2]" 1
177 1 59 ILE MD 1 60 ASP HA 5.160 . 5.680 3.449 2.821 4.409 . 0 0 "[ . 1 . 2]" 1
178 1 59 ILE HA 1 60 ASP HA 4.870 . 5.360 4.521 4.425 4.576 . 0 0 "[ . 1 . 2]" 1
179 1 60 ASP HA 1 75 ALA H 4.980 . 5.480 5.148 4.567 5.499 0.019 7 0 "[ . 1 . 2]" 1
180 1 60 ASP HA 1 77 ASP H 4.020 . 4.420 3.041 2.544 3.465 . 0 0 "[ . 1 . 2]" 1
181 1 60 ASP HB3 1 77 ASP HA 5.700 . 6.170 6.025 5.341 6.317 0.147 5 0 "[ . 1 . 2]" 1
182 1 61 PHE HA 1 128 ILE MG 4.720 . 5.190 2.122 1.647 3.060 . 0 0 "[ . 1 . 2]" 1
183 1 59 ILE MD 1 61 PHE HA 5.070 . 5.580 4.564 4.181 4.894 . 0 0 "[ . 1 . 2]" 1
184 1 61 PHE HA 1 62 THR MG 5.320 . 5.850 3.831 3.597 3.959 . 0 0 "[ . 1 . 2]" 1
185 1 60 ASP HA 1 61 PHE HA 4.930 . 5.420 4.528 4.485 4.567 . 0 0 "[ . 1 . 2]" 1
186 1 61 PHE HA 1 126 PHE QD 5.080 . 5.590 3.778 3.377 4.471 . 0 0 "[ . 1 . 2]" 1
187 1 61 PHE HA 1 126 PHE QE 5.500 . 6.050 5.095 4.577 5.777 . 0 0 "[ . 1 . 2]" 1
188 1 61 PHE QE 1 78 PHE QE 5.500 . 6.050 4.000 3.663 4.542 . 0 0 "[ . 1 . 2]" 1
189 1 61 PHE QB 1 62 THR HA 4.220 . 4.640 4.234 4.032 4.378 . 0 0 "[ . 1 . 2]" 1
190 1 62 THR HB 1 74 LYS QG 3.760 . 4.140 3.343 2.703 4.008 . 0 0 "[ . 1 . 2]" 1
191 1 62 THR MG 1 63 GLY H 4.300 . 4.730 3.608 3.271 4.038 . 0 0 "[ . 1 . 2]" 1
192 1 62 THR MG 1 74 LYS QE 4.560 . 5.020 4.605 4.210 5.114 0.094 13 0 "[ . 1 . 2]" 1
193 1 62 THR MG 1 74 LYS HB3 4.400 . 4.800 4.689 4.285 4.869 0.069 11 0 "[ . 1 . 2]" 1
194 1 63 GLY HA2 1 70 PHE QE 5.430 . 5.970 5.187 4.817 5.869 . 0 0 "[ . 1 . 2]" 1
195 1 63 GLY HA2 1 126 PHE QD 5.500 . 6.050 4.741 4.312 5.494 . 0 0 "[ . 1 . 2]" 1
196 1 63 GLY HA2 1 126 PHE HA 4.840 . 5.320 4.578 3.748 5.111 . 0 0 "[ . 1 . 2]" 1
197 1 64 SER HA 1 70 PHE HB2 5.820 2.020 6.290 6.211 5.980 6.369 0.079 5 0 "[ . 1 . 2]" 1
198 1 64 SER HA 1 70 PHE H 4.000 . 4.400 3.219 2.875 3.761 . 0 0 "[ . 1 . 2]" 1
199 1 64 SER HA 1 70 PHE QD 4.180 . 4.600 2.513 2.280 2.721 . 0 0 "[ . 1 . 2]" 1
200 1 64 SER HA 1 68 GLU H 4.860 . 5.350 4.726 4.258 5.235 . 0 0 "[ . 1 . 2]" 1
201 1 64 SER HB2 1 69 GLU HA 4.710 . 5.180 4.468 3.633 5.203 0.023 9 0 "[ . 1 . 2]" 1
202 1 43 THR HA 1 43 THR MG 3.220 . 3.540 3.185 2.404 3.294 . 0 0 "[ . 1 . 2]" 1
203 1 65 VAL HA 1 70 PHE QD 4.930 . 5.420 4.918 4.471 5.407 . 0 0 "[ . 1 . 2]" 1
204 1 43 THR HA 1 44 TRP H 2.940 . 3.230 2.190 2.070 2.338 . 0 0 "[ . 1 . 2]" 1
205 1 65 VAL HA 1 125 LYS H 4.150 . 4.570 2.919 2.436 3.301 . 0 0 "[ . 1 . 2]" 1
206 1 65 VAL HB 1 70 PHE QD 4.700 . 5.170 3.493 3.052 3.873 . 0 0 "[ . 1 . 2]" 1
207 1 64 SER HA 1 65 VAL HB 5.500 . 6.050 4.431 4.273 4.569 . 0 0 "[ . 1 . 2]" 1
208 1 65 VAL HB 1 70 PHE HB2 5.180 . 5.700 5.189 4.813 5.537 . 0 0 "[ . 1 . 2]" 1
209 1 25 ILE HA 1 30 VAL QG 3.930 . 4.320 3.500 2.942 4.285 . 0 0 "[ . 1 . 2]" 1
210 1 65 VAL MG1 1 124 ALA HA 4.640 . 5.100 4.457 4.314 4.622 . 0 0 "[ . 1 . 2]" 1
211 1 65 VAL MG1 1 70 PHE QD 4.340 . 4.770 2.600 2.127 2.827 . 0 0 "[ . 1 . 2]" 1
212 1 65 VAL H 1 65 VAL MG1 4.520 . 4.970 2.153 2.039 2.286 . 0 0 "[ . 1 . 2]" 1
213 1 65 VAL MG2 1 124 ALA MB 4.040 . 4.440 2.029 1.876 2.182 . 0 0 "[ . 1 . 2]" 1
214 1 66 ASP HA 1 67 GLY H 3.560 . 3.920 2.889 2.738 3.004 . 0 0 "[ . 1 . 2]" 1
215 1 117 GLU H 1 117 GLU QG 4.170 . 4.590 2.364 2.033 3.434 . 0 0 "[ . 1 . 2]" 1
216 1 68 GLU H 1 68 GLU HG3 4.540 . 4.990 4.675 4.624 4.757 . 0 0 "[ . 1 . 2]" 1
217 1 68 GLU HG3 1 70 PHE H 5.400 . 5.940 5.886 5.360 6.139 0.199 11 0 "[ . 1 . 2]" 1
218 1 117 GLU HA 1 117 GLU QG 3.560 . 3.920 2.715 2.470 3.089 . 0 0 "[ . 1 . 2]" 1
219 1 68 GLU H 1 68 GLU HG2 4.970 . 5.470 4.300 4.229 4.389 . 0 0 "[ . 1 . 2]" 1
220 1 64 SER HA 1 69 GLU QG 4.590 . 5.050 3.953 3.358 4.427 . 0 0 "[ . 1 . 2]" 1
221 1 69 GLU H 1 69 GLU QG 4.610 . 5.070 2.863 2.120 4.040 . 0 0 "[ . 1 . 2]" 1
222 1 69 GLU HA 1 70 PHE HA 4.460 . 4.910 4.468 4.438 4.516 . 0 0 "[ . 1 . 2]" 1
223 1 70 PHE QD 1 119 LEU MD1 5.370 . 5.910 3.415 2.343 4.271 . 0 0 "[ . 1 . 2]" 1
224 1 71 GLU HA 1 72 GLY H 3.270 . 3.600 2.216 2.150 2.265 . 0 0 "[ . 1 . 2]" 1
225 1 71 GLU HA 1 73 GLY H 4.730 . 5.200 3.490 2.970 4.529 . 0 0 "[ . 1 . 2]" 1
226 1 74 LYS HA 1 74 LYS QE 4.790 . 5.270 4.161 3.903 4.341 . 0 0 "[ . 1 . 2]" 1
227 1 46 GLU HA 1 134 GLU HA 3.750 . 4.130 1.889 1.509 2.810 . 0 0 "[ . 1 . 2]" 1
228 1 70 PHE QE 1 74 LYS HA 4.720 . 5.180 4.930 3.148 5.287 0.107 13 0 "[ . 1 . 2]" 1
229 1 61 PHE H 1 74 LYS HA 4.700 . 5.150 5.076 4.640 5.267 0.117 12 0 "[ . 1 . 2]" 1
230 1 74 LYS HB3 1 75 ALA HA 5.200 . 5.680 5.686 5.570 5.761 0.081 12 0 "[ . 1 . 2]" 1
231 1 59 ILE MD 1 75 ALA MB 5.310 . 5.840 4.636 3.974 5.119 . 0 0 "[ . 1 . 2]" 1
232 1 75 ALA MB 1 78 PHE HB3 4.130 . 4.540 3.729 3.259 4.168 . 0 0 "[ . 1 . 2]" 1
233 1 74 LYS HA 1 75 ALA MB 5.370 . 5.910 3.969 3.880 4.038 . 0 0 "[ . 1 . 2]" 1
234 1 61 PHE QE 1 75 ALA MB 4.040 . 4.440 2.580 2.206 2.857 . 0 0 "[ . 1 . 2]" 1
235 1 75 ALA MB 1 77 ASP H 5.500 . 6.050 5.266 5.061 5.451 . 0 0 "[ . 1 . 2]" 1
236 1 44 TRP HA 1 45 LYS H 3.460 . 3.810 2.262 2.137 2.386 . 0 0 "[ . 1 . 2]" 1
237 1 60 ASP HA 1 76 SER HA 3.610 . 3.970 2.906 2.455 3.246 . 0 0 "[ . 1 . 2]" 1
238 1 76 SER HA 1 77 ASP HA 4.670 . 5.140 4.442 4.364 4.518 . 0 0 "[ . 1 . 2]" 1
239 1 60 ASP HB2 1 76 SER HB3 5.500 . 6.050 5.424 4.507 5.925 . 0 0 "[ . 1 . 2]" 1
240 1 76 SER HB3 1 77 ASP QB 5.500 . 6.050 5.229 4.171 5.477 . 0 0 "[ . 1 . 2]" 1
241 1 76 SER HB3 1 77 ASP H 4.210 . 4.630 3.989 2.844 4.186 . 0 0 "[ . 1 . 2]" 1
242 1 76 SER HB2 1 77 ASP H 4.210 . 4.630 3.116 2.753 3.883 . 0 0 "[ . 1 . 2]" 1
243 1 60 ASP HB2 1 76 SER HB2 5.500 . 6.050 4.951 3.857 6.031 . 0 0 "[ . 1 . 2]" 1
244 1 76 SER HB2 1 77 ASP QB 5.500 . 6.050 4.098 3.676 5.494 . 0 0 "[ . 1 . 2]" 1
245 1 77 ASP HA 1 79 VAL MG1 4.410 . 4.850 4.826 4.500 5.009 0.159 8 0 "[ . 1 . 2]" 1
246 1 77 ASP HA 1 136 ARG HB3 4.830 . 5.310 4.799 3.797 5.451 0.141 11 0 "[ . 1 . 2]" 1
247 1 58 THR MG 1 77 ASP QB 4.480 . 4.930 3.035 2.429 3.428 . 0 0 "[ . 1 . 2]" 1
248 1 77 ASP HA 1 78 PHE HB3 5.390 . 5.930 5.143 4.808 5.304 . 0 0 "[ . 1 . 2]" 1
249 1 59 ILE QG 1 78 PHE HB3 4.900 . 5.390 3.444 2.110 4.307 . 0 0 "[ . 1 . 2]" 1
250 1 129 ASN H 1 129 ASN HB2 3.890 . 4.280 3.486 2.548 3.694 . 0 0 "[ . 1 . 2]" 1
251 1 75 ALA MB 1 78 PHE HB2 4.360 . 4.800 2.547 2.130 2.892 . 0 0 "[ . 1 . 2]" 1
252 1 65 VAL HA 1 66 ASP H 3.270 . 3.600 2.151 2.105 2.186 . 0 0 "[ . 1 . 2]" 1
253 1 79 VAL H 1 79 VAL HB 3.710 . 4.080 3.674 3.646 3.694 . 0 0 "[ . 1 . 2]" 1
254 1 58 THR MG 1 79 VAL MG1 2.770 . 3.050 2.488 2.177 2.748 . 0 0 "[ . 1 . 2]" 1
255 1 58 THR HA 1 79 VAL MG2 5.260 . 5.790 4.931 4.649 5.093 . 0 0 "[ . 1 . 2]" 1
256 1 58 THR MG 1 79 VAL MG2 4.070 . 4.460 4.405 4.170 4.591 0.131 5 0 "[ . 1 . 2]" 1
257 1 78 PHE QD 1 80 LEU HA 4.760 . 5.240 4.143 3.687 4.730 . 0 0 "[ . 1 . 2]" 1
258 1 78 PHE HB2 1 80 LEU HB2 5.500 . 6.050 5.902 5.609 6.167 0.117 15 0 "[ . 1 . 2]" 1
259 1 80 LEU HG 1 82 MET HA 5.180 . 5.700 3.927 2.987 4.384 . 0 0 "[ . 1 . 2]" 1
260 1 81 ALA HA 1 84 GLN HG3 5.500 . 6.050 4.972 4.653 5.527 . 0 0 "[ . 1 . 2]" 1
261 1 81 ALA HA 1 84 GLN HG2 5.500 . 6.050 4.765 4.509 5.044 . 0 0 "[ . 1 . 2]" 1
262 1 81 ALA H 1 81 ALA MB 3.060 . 3.370 2.312 2.282 2.344 . 0 0 "[ . 1 . 2]" 1
263 1 57 VAL H 1 81 ALA MB 4.950 . 5.450 4.770 4.462 5.052 . 0 0 "[ . 1 . 2]" 1
264 1 44 TRP HZ2 1 81 ALA MB 5.230 . 5.750 4.505 3.009 5.684 . 0 0 "[ . 1 . 2]" 1
265 1 56 ARG HA 1 81 ALA MB 4.050 . 4.460 3.604 3.105 3.998 . 0 0 "[ . 1 . 2]" 1
266 1 81 ALA MB 1 84 GLN HG3 3.920 . 4.310 2.346 1.938 3.348 . 0 0 "[ . 1 . 2]" 1
267 1 81 ALA MB 1 95 ILE MD 5.200 . 5.720 5.638 4.970 5.967 0.247 11 0 "[ . 1 . 2]" 1
268 1 51 VAL MG1 1 82 MET QG 4.240 . 4.660 3.024 2.137 4.330 . 0 0 "[ . 1 . 2]" 1
269 1 82 MET QG 1 95 ILE HB 5.410 . 5.950 5.296 4.515 6.153 0.203 16 0 "[ . 1 . 2]" 1
270 1 55 ASP H 1 82 MET QG 4.920 . 5.410 4.063 3.224 5.494 0.084 3 0 "[ . 1 . 2]" 1
271 1 84 GLN HA 1 84 GLN HG3 3.500 . 3.840 3.814 3.734 3.891 0.051 3 0 "[ . 1 . 2]" 1
272 1 29 LYS HA 1 30 VAL HB 5.100 . 5.610 4.893 4.589 5.479 . 0 0 "[ . 1 . 2]" 1
273 1 50 ALA HA 1 51 VAL MG2 4.530 . 4.980 3.532 3.397 3.658 . 0 0 "[ . 1 . 2]" 1
274 1 51 VAL MG2 1 57 VAL HB 4.570 . 5.030 2.425 2.147 2.703 . 0 0 "[ . 1 . 2]" 1
275 1 51 VAL MG2 1 57 VAL HA 4.900 . 5.390 4.374 3.919 4.653 . 0 0 "[ . 1 . 2]" 1
276 1 90 GLY QA 1 108 VAL HB 4.940 . 5.430 2.163 1.702 2.950 . 0 0 "[ . 1 . 2]" 1
277 1 4 GLU HA 1 4 GLU QG 3.600 . 3.960 2.686 2.440 3.223 . 0 0 "[ . 1 . 2]" 1
278 1 95 ILE HA 1 95 ILE QG 3.520 . 3.870 3.406 3.351 3.537 . 0 0 "[ . 1 . 2]" 1
279 1 95 ILE HA 1 104 PHE HZ 3.570 . 3.930 3.540 3.020 3.987 0.057 18 0 "[ . 1 . 2]" 1
280 1 95 ILE HB 1 96 LYS H 4.930 . 5.420 4.230 4.063 4.417 . 0 0 "[ . 1 . 2]" 1
281 1 95 ILE HB 1 104 PHE QE 5.400 . 5.940 5.215 4.668 5.739 . 0 0 "[ . 1 . 2]" 1
282 1 95 ILE H 1 95 ILE HB 3.880 . 4.270 3.741 3.639 3.819 . 0 0 "[ . 1 . 2]" 1
283 1 95 ILE QG 1 96 LYS QD 4.630 . 5.090 4.062 3.243 5.073 . 0 0 "[ . 1 . 2]" 1
284 1 57 VAL MG1 1 95 ILE MD 3.440 . 3.780 1.897 1.655 2.013 . 0 0 "[ . 1 . 2]" 1
285 1 95 ILE HA 1 95 ILE MD 4.380 . 4.820 4.176 3.762 4.295 . 0 0 "[ . 1 . 2]" 1
286 1 95 ILE MD 1 104 PHE HZ 5.500 . 6.050 5.820 5.487 6.175 0.125 1 0 "[ . 1 . 2]" 1
287 1 95 ILE H 1 95 ILE MD 4.090 . 4.500 3.632 2.982 3.907 . 0 0 "[ . 1 . 2]" 1
288 1 51 VAL MG2 1 96 LYS HA 4.490 . 4.940 4.030 3.277 4.626 . 0 0 "[ . 1 . 2]" 1
289 1 95 ILE QG 1 96 LYS HA 4.670 . 5.140 3.662 3.153 4.823 . 0 0 "[ . 1 . 2]" 1
290 1 51 VAL HB 1 96 LYS HA 3.570 . 3.930 2.426 1.670 3.117 . 0 0 "[ . 1 . 2]" 1
291 1 98 HIS HA 1 99 LYS H 3.160 . 3.480 2.595 2.420 2.788 . 0 0 "[ . 1 . 2]" 1
292 1 50 ALA HA 1 98 HIS HA 5.180 . 5.700 3.708 3.234 4.362 . 0 0 "[ . 1 . 2]" 1
293 1 53 ALA HA 1 54 GLU HA 5.030 . 5.530 4.668 4.600 4.747 . 0 0 "[ . 1 . 2]" 1
294 1 99 LYS HA 1 100 ALA HA 5.310 . 5.840 4.469 4.345 4.544 . 0 0 "[ . 1 . 2]" 1
295 1 58 THR HB 1 132 LYS QB 4.180 . 4.600 2.760 1.770 4.046 . 0 0 "[ . 1 . 2]" 1
296 1 99 LYS HB2 1 100 ALA H 4.330 . 4.760 3.118 2.215 3.984 . 0 0 "[ . 1 . 2]" 1
297 1 105 THR MG 1 125 LYS QE 3.240 . 3.560 2.439 1.932 3.289 . 0 0 "[ . 1 . 2]" 1
298 1 100 ALA HA 1 132 LYS QB 6.080 . 6.630 6.493 6.096 6.742 0.112 12 0 "[ . 1 . 2]" 1
299 1 100 ALA MB 1 133 VAL MG1 4.070 . 4.480 1.946 1.656 4.177 . 0 0 "[ . 1 . 2]" 1
300 1 100 ALA MB 1 133 VAL MG2 4.070 . 4.480 2.376 1.986 2.727 . 0 0 "[ . 1 . 2]" 1
301 1 100 ALA MB 1 133 VAL HB 4.120 . 4.530 4.207 4.015 4.400 . 0 0 "[ . 1 . 2]" 1
302 1 100 ALA MB 1 132 LYS QE 5.100 . 5.610 4.417 3.370 5.682 0.072 6 0 "[ . 1 . 2]" 1
303 1 100 ALA MB 1 132 LYS H 4.440 . 4.880 3.386 2.848 4.050 . 0 0 "[ . 1 . 2]" 1
304 1 100 ALA MB 1 133 VAL H 3.270 . 3.600 2.385 1.954 3.323 . 0 0 "[ . 1 . 2]" 1
305 1 102 GLU HA 1 103 GLU H 2.880 . 3.170 2.321 2.236 2.396 . 0 0 "[ . 1 . 2]" 1
306 1 52 GLU HB2 1 55 ASP H 5.380 . 5.920 2.612 2.101 3.019 . 0 0 "[ . 1 . 2]" 1
307 1 102 GLU H 1 102 GLU HG3 4.510 . 4.960 3.124 2.974 3.260 . 0 0 "[ . 1 . 2]" 1
308 1 103 GLU HA 1 130 LEU H 3.910 . 4.300 3.192 2.848 3.548 . 0 0 "[ . 1 . 2]" 1
309 1 103 GLU HA 1 129 ASN HA 3.350 . 3.690 1.729 1.654 1.946 . 0 0 "[ . 1 . 2]" 1
310 1 103 GLU HA 1 129 ASN HB2 5.500 . 6.050 3.575 3.193 3.888 . 0 0 "[ . 1 . 2]" 1
311 1 103 GLU HA 1 103 GLU HG2 3.870 . 4.260 3.141 2.912 3.393 . 0 0 "[ . 1 . 2]" 1
312 1 103 GLU HA 1 128 ILE MG 5.400 . 5.940 5.109 4.802 5.447 . 0 0 "[ . 1 . 2]" 1
313 1 103 GLU HA 1 103 GLU HG3 4.080 . 4.490 2.534 2.436 2.619 . 0 0 "[ . 1 . 2]" 1
314 1 103 GLU HG3 1 104 PHE HA 4.700 . 5.150 4.962 4.587 5.258 0.108 6 0 "[ . 1 . 2]" 1
315 1 103 GLU HG3 1 129 ASN HA 4.810 . 5.290 2.930 2.675 3.288 . 0 0 "[ . 1 . 2]" 1
316 1 103 GLU HG2 1 129 ASN HA 4.500 . 4.950 4.195 4.065 4.373 . 0 0 "[ . 1 . 2]" 1
317 1 103 GLU HG2 1 104 PHE H 4.070 . 4.480 2.685 2.286 3.130 . 0 0 "[ . 1 . 2]" 1
318 1 103 GLU HG2 1 129 ASN H 4.370 . 4.810 4.577 4.358 4.810 . 0 0 "[ . 1 . 2]" 1
319 1 105 THR HA 1 128 ILE H 3.830 . 4.210 3.273 2.898 3.482 . 0 0 "[ . 1 . 2]" 1
320 1 105 THR HA 1 106 ILE MG 4.340 . 4.770 3.992 3.772 4.166 . 0 0 "[ . 1 . 2]" 1
321 1 105 THR HB 1 125 LYS QB 5.390 . 5.930 5.129 4.844 5.717 . 0 0 "[ . 1 . 2]" 1
322 1 105 THR HB 1 106 ILE H 4.190 . 4.610 4.078 4.009 4.146 . 0 0 "[ . 1 . 2]" 1
323 1 105 THR HA 1 105 THR MG 3.370 . 3.710 2.422 2.402 2.453 . 0 0 "[ . 1 . 2]" 1
324 1 88 ILE MG 1 110 PHE HA 4.230 . 4.650 2.698 2.135 3.229 . 0 0 "[ . 1 . 2]" 1
325 1 106 ILE MG 1 107 ASP H 4.060 . 4.470 3.794 3.565 3.887 . 0 0 "[ . 1 . 2]" 1
326 1 106 ILE MD 1 108 VAL MG1 4.010 . 4.410 2.693 2.391 2.891 . 0 0 "[ . 1 . 2]" 1
327 1 106 ILE MD 1 106 ILE MG 3.170 . 3.490 2.025 1.997 2.054 . 0 0 "[ . 1 . 2]" 1
328 1 106 ILE HB 1 106 ILE MD 3.530 . 3.880 2.474 2.448 2.493 . 0 0 "[ . 1 . 2]" 1
329 1 106 ILE MD 1 126 PHE HB2 4.640 . 5.100 3.053 2.591 3.436 . 0 0 "[ . 1 . 2]" 1
330 1 106 ILE MD 1 126 PHE HB3 4.220 . 4.640 4.147 3.740 4.581 . 0 0 "[ . 1 . 2]" 1
331 1 91 PHE HA 1 106 ILE MD 4.900 . 5.390 4.216 2.344 4.707 . 0 0 "[ . 1 . 2]" 1
332 1 104 PHE QD 1 106 ILE MD 5.440 . 5.980 3.844 3.551 4.656 . 0 0 "[ . 1 . 2]" 1
333 1 104 PHE HZ 1 106 ILE MD 5.110 . 5.620 4.091 3.669 4.907 . 0 0 "[ . 1 . 2]" 1
334 1 95 ILE H 1 106 ILE MD 4.470 . 4.920 4.353 3.798 4.957 0.037 15 0 "[ . 1 . 2]" 1
335 1 107 ASP HA 1 108 VAL H 2.940 . 3.230 2.111 2.059 2.173 . 0 0 "[ . 1 . 2]" 1
336 1 107 ASP HA 1 108 VAL HA 4.610 . 5.070 4.460 4.422 4.479 . 0 0 "[ . 1 . 2]" 1
337 1 107 ASP HA 1 125 LYS QB 4.150 . 4.570 3.259 2.765 3.799 . 0 0 "[ . 1 . 2]" 1
338 1 107 ASP HA 1 108 VAL MG1 4.650 . 5.120 3.699 3.456 3.983 . 0 0 "[ . 1 . 2]" 1
339 1 108 VAL HA 1 124 ALA MB 5.500 . 6.050 5.380 4.926 5.677 . 0 0 "[ . 1 . 2]" 1
340 1 106 ILE MD 1 108 VAL HB 5.340 . 5.870 5.233 4.825 5.519 . 0 0 "[ . 1 . 2]" 1
341 1 88 ILE MG 1 108 VAL HB 4.680 . 5.150 4.814 4.258 5.270 0.120 19 0 "[ . 1 . 2]" 1
342 1 108 VAL HB 1 124 ALA MB 5.050 . 5.560 4.677 4.356 5.050 . 0 0 "[ . 1 . 2]" 1
343 1 108 VAL MG1 1 126 PHE QE 4.830 . 5.310 3.463 2.782 4.442 . 0 0 "[ . 1 . 2]" 1
344 1 91 PHE QD 1 108 VAL MG1 4.440 . 4.880 3.059 1.769 4.051 . 0 0 "[ . 1 . 2]" 1
345 1 90 GLY QA 1 108 VAL MG1 4.330 . 4.760 2.437 2.015 2.931 . 0 0 "[ . 1 . 2]" 1
346 1 106 ILE MD 1 108 VAL MG2 3.900 . 4.280 4.147 3.526 4.353 0.073 12 0 "[ . 1 . 2]" 1
347 1 108 VAL MG2 1 124 ALA MB 3.650 . 4.010 2.238 1.928 2.632 . 0 0 "[ . 1 . 2]" 1
348 1 108 VAL MG2 1 126 PHE HB2 5.320 . 5.850 4.675 4.194 5.107 . 0 0 "[ . 1 . 2]" 1
349 1 90 GLY QA 1 108 VAL MG2 3.740 . 4.110 3.732 3.360 4.274 0.164 17 0 "[ . 1 . 2]" 1
350 1 107 ASP HA 1 108 VAL MG2 4.460 . 4.910 3.635 3.476 3.949 . 0 0 "[ . 1 . 2]" 1
351 1 108 VAL MG2 1 126 PHE QD 3.890 . 4.280 2.883 2.385 3.340 . 0 0 "[ . 1 . 2]" 1
352 1 108 VAL MG2 1 126 PHE QE 4.010 . 4.410 1.964 1.842 2.202 . 0 0 "[ . 1 . 2]" 1
353 1 108 VAL H 1 108 VAL MG2 3.500 . 3.850 2.203 2.085 2.362 . 0 0 "[ . 1 . 2]" 1
354 1 109 THR HA 1 124 ALA H 3.770 . 4.150 3.203 2.381 3.740 . 0 0 "[ . 1 . 2]" 1
355 1 109 THR HA 1 123 ALA MB 4.250 . 4.680 3.047 2.604 3.466 . 0 0 "[ . 1 . 2]" 1
356 1 108 VAL MG2 1 109 THR HA 4.610 . 5.070 4.034 3.354 4.389 . 0 0 "[ . 1 . 2]" 1
357 1 109 THR H 1 109 THR HB 3.600 . 3.960 2.712 2.553 3.668 . 0 0 "[ . 1 . 2]" 1
358 1 109 THR MG 1 110 PHE H 3.540 . 3.890 3.010 2.671 3.971 0.081 7 0 "[ . 1 . 2]" 1
359 1 109 THR H 1 109 THR MG 3.930 . 4.320 3.752 2.195 3.954 . 0 0 "[ . 1 . 2]" 1
360 1 109 THR HA 1 109 THR MG 3.290 . 3.620 2.441 2.325 3.273 . 0 0 "[ . 1 . 2]" 1
361 1 111 PRO HA 1 112 GLU H 3.050 . 3.350 2.343 2.139 2.548 . 0 0 "[ . 1 . 2]" 1
362 1 88 ILE MG 1 89 PRO QD 4.800 . 5.280 3.099 2.803 3.397 . 0 0 "[ . 1 . 2]" 1
363 1 19 PRO QG 1 89 PRO QD 5.500 . 6.050 5.246 4.158 6.087 0.037 13 0 "[ . 1 . 2]" 1
364 1 112 GLU HA 1 121 GLY H 4.880 . 5.370 4.347 2.681 5.369 . 0 0 "[ . 1 . 2]" 1
365 1 112 GLU H 1 112 GLU QG 4.030 . 4.430 2.423 1.958 4.062 . 0 0 "[ . 1 . 2]" 1
366 1 114 TYR HA 1 114 TYR QD 3.650 . 4.010 2.575 2.028 3.797 . 0 0 "[ . 1 . 2]" 1
367 1 114 TYR QD 1 116 ALA HA 5.500 . 6.050 5.024 4.418 5.800 . 0 0 "[ . 1 . 2]" 1
368 1 116 ALA HA 1 119 LEU H 5.500 . 6.050 4.858 4.398 5.506 . 0 0 "[ . 1 . 2]" 1
369 1 114 TYR QE 1 116 ALA HA 5.500 . 6.050 5.428 4.885 6.133 0.083 2 0 "[ . 1 . 2]" 1
370 1 116 ALA HA 1 117 GLU QG 5.080 . 5.590 3.725 3.145 4.849 . 0 0 "[ . 1 . 2]" 1
371 1 116 ALA MB 1 119 LEU H 4.210 . 4.630 2.793 2.370 3.362 . 0 0 "[ . 1 . 2]" 1
372 1 116 ALA MB 1 119 LEU QB 3.870 . 4.260 2.077 1.723 3.179 . 0 0 "[ . 1 . 2]" 1
373 1 116 ALA MB 1 119 LEU MD2 3.770 . 4.150 2.556 1.750 3.540 . 0 0 "[ . 1 . 2]" 1
374 1 117 GLU HA 1 119 LEU H 4.890 . 5.380 4.576 3.829 5.067 . 0 0 "[ . 1 . 2]" 1
375 1 117 GLU HB3 1 118 ASN HA 4.720 . 5.190 4.475 4.036 4.891 . 0 0 "[ . 1 . 2]" 1
376 1 119 LEU HA 1 119 LEU MD1 3.400 . 3.740 2.147 2.042 2.362 . 0 0 "[ . 1 . 2]" 1
377 1 119 LEU HA 1 119 LEU MD2 3.500 . 3.850 3.167 2.730 3.548 . 0 0 "[ . 1 . 2]" 1
378 1 119 LEU HA 1 119 LEU HG 3.760 . 4.140 3.795 3.760 3.861 . 0 0 "[ . 1 . 2]" 1
379 1 116 ALA MB 1 119 LEU HA 5.310 . 5.840 4.372 3.967 5.327 . 0 0 "[ . 1 . 2]" 1
380 1 119 LEU HA 1 122 LYS HD2 4.400 . 4.840 3.021 2.023 4.812 . 0 0 "[ . 1 . 2]" 1
381 1 119 LEU HA 1 122 LYS QB 5.010 . 5.510 4.069 2.532 5.066 . 0 0 "[ . 1 . 2]" 1
382 1 118 ASN H 1 119 LEU MD2 5.280 . 5.810 3.511 2.749 4.014 . 0 0 "[ . 1 . 2]" 1
383 1 119 LEU H 1 119 LEU MD1 5.100 . 5.610 3.575 2.959 3.988 . 0 0 "[ . 1 . 2]" 1
384 1 119 LEU MD1 1 120 LYS H 4.780 . 5.260 4.076 3.457 4.470 . 0 0 "[ . 1 . 2]" 1
385 1 65 VAL HB 1 119 LEU MD1 5.200 . 5.720 3.598 3.135 4.268 . 0 0 "[ . 1 . 2]" 1
386 1 119 LEU MD1 1 122 LYS QB 5.500 . 6.050 3.864 2.182 5.688 . 0 0 "[ . 1 . 2]" 1
387 1 119 LEU HA 1 120 LYS HA 4.650 . 5.120 4.560 4.421 4.787 . 0 0 "[ . 1 . 2]" 1
388 1 120 LYS QD 1 122 LYS HD3 4.220 . 4.640 3.833 2.577 4.624 . 0 0 "[ . 1 . 2]" 1
389 1 120 LYS QD 1 122 LYS HD2 4.220 . 4.640 2.995 1.889 4.031 . 0 0 "[ . 1 . 2]" 1
390 1 120 LYS HA 1 120 LYS QD 4.100 . 4.510 3.852 3.654 4.039 . 0 0 "[ . 1 . 2]" 1
391 1 122 LYS H 1 122 LYS HG2 4.050 . 4.460 2.705 1.762 3.903 . 0 0 "[ . 1 . 2]" 1
392 1 74 LYS HA 1 74 LYS QD 4.730 . 5.200 4.098 3.853 4.621 . 0 0 "[ . 1 . 2]" 1
393 1 123 ALA HA 1 124 ALA MB 4.970 . 5.470 3.987 3.898 4.063 . 0 0 "[ . 1 . 2]" 1
394 1 123 ALA H 1 123 ALA MB 2.920 . 3.210 2.304 2.241 2.408 . 0 0 "[ . 1 . 2]" 1
395 1 123 ALA MB 1 124 ALA H 3.390 . 3.730 3.038 2.854 3.231 . 0 0 "[ . 1 . 2]" 1
396 1 109 THR MG 1 123 ALA MB 4.460 . 4.910 2.893 1.919 4.592 . 0 0 "[ . 1 . 2]" 1
397 1 65 VAL MG2 1 124 ALA HA 4.640 . 5.100 2.526 2.193 2.779 . 0 0 "[ . 1 . 2]" 1
398 1 124 ALA HA 1 125 LYS QB 4.490 . 4.940 4.413 4.291 4.661 . 0 0 "[ . 1 . 2]" 1
399 1 65 VAL HB 1 124 ALA MB 4.140 . 4.550 2.571 2.376 2.813 . 0 0 "[ . 1 . 2]" 1
400 1 125 LYS QG 1 126 PHE HA 5.070 . 5.580 4.510 3.946 5.694 0.114 7 0 "[ . 1 . 2]" 1
401 1 65 VAL MG1 1 70 PHE QE 5.500 . 6.050 3.676 3.373 3.864 . 0 0 "[ . 1 . 2]" 1
402 1 127 ALA HA 1 128 ILE MG 4.200 . 4.620 3.855 3.551 4.061 . 0 0 "[ . 1 . 2]" 1
403 1 106 ILE MG 1 127 ALA HA 5.250 . 5.780 5.575 5.156 5.839 0.059 13 0 "[ . 1 . 2]" 1
404 1 105 THR MG 1 127 ALA HA 3.790 . 4.170 2.870 2.328 3.227 . 0 0 "[ . 1 . 2]" 1
405 1 138 LEU HA 1 139 PRO HD3 3.120 . 3.430 2.729 2.339 3.231 . 0 0 "[ . 1 . 2]" 1
406 1 105 THR HA 1 127 ALA HA 3.480 . 3.830 2.076 1.874 2.222 . 0 0 "[ . 1 . 2]" 1
407 1 106 ILE H 1 127 ALA HA 4.380 . 4.820 3.796 3.583 3.973 . 0 0 "[ . 1 . 2]" 1
408 1 127 ALA HA 1 128 ILE H 3.140 . 3.450 2.222 2.163 2.273 . 0 0 "[ . 1 . 2]" 1
409 1 127 ALA MB 1 128 ILE H 3.640 . 4.000 3.541 3.306 3.639 . 0 0 "[ . 1 . 2]" 1
410 1 105 THR HA 1 127 ALA MB 4.050 . 4.460 3.394 3.189 3.700 . 0 0 "[ . 1 . 2]" 1
411 1 126 PHE HA 1 127 ALA MB 4.180 . 4.600 4.123 4.046 4.167 . 0 0 "[ . 1 . 2]" 1
412 1 104 PHE H 1 129 ASN HA 4.490 . 4.940 3.182 2.846 3.564 . 0 0 "[ . 1 . 2]" 1
413 1 129 ASN HA 1 130 LEU H 3.070 . 3.380 2.203 2.157 2.253 . 0 0 "[ . 1 . 2]" 1
414 1 103 GLU HA 1 129 ASN HB3 5.500 . 6.050 3.394 2.683 4.905 . 0 0 "[ . 1 . 2]" 1
415 1 129 ASN H 1 129 ASN HB3 3.890 . 4.280 2.640 2.320 2.767 . 0 0 "[ . 1 . 2]" 1
416 1 78 PHE H 1 78 PHE HB2 4.100 . 4.510 2.732 2.608 3.229 . 0 0 "[ . 1 . 2]" 1
417 1 131 LYS HB3 1 132 LYS H 4.680 . 5.150 2.215 1.817 3.019 . 0 0 "[ . 1 . 2]" 1
418 1 58 THR HB 1 131 LYS HB2 5.260 . 5.790 4.549 2.981 5.077 . 0 0 "[ . 1 . 2]" 1
419 1 131 LYS HB3 1 131 LYS QE 4.200 . 4.620 3.752 2.569 4.568 . 0 0 "[ . 1 . 2]" 1
420 1 57 VAL HA 1 133 VAL HA 3.850 . 4.240 3.320 2.811 4.083 . 0 0 "[ . 1 . 2]" 1
421 1 133 VAL HA 1 134 GLU H 3.540 . 3.890 3.286 3.002 3.487 . 0 0 "[ . 1 . 2]" 1
422 1 44 TRP HB2 1 135 GLU HA 4.540 . 4.990 2.419 1.666 4.895 . 0 0 "[ . 1 . 2]" 1
423 1 51 VAL MG1 1 57 VAL HB 4.330 . 4.760 2.624 2.108 3.075 . 0 0 "[ . 1 . 2]" 1
424 1 120 LYS QG 1 122 LYS QB 4.460 . 4.910 4.420 2.785 5.064 0.154 20 0 "[ . 1 . 2]" 1
425 1 122 LYS QB 1 123 ALA MB 4.690 . 5.160 4.137 3.848 4.486 . 0 0 "[ . 1 . 2]" 1
426 1 137 GLU HA 1 138 LEU H 2.900 . 3.190 2.176 2.077 2.321 . 0 0 "[ . 1 . 2]" 1
427 1 137 GLU HA 1 138 LEU HG 4.110 . 4.520 4.003 3.464 4.581 0.061 12 0 "[ . 1 . 2]" 1
428 1 2 ILE HB 1 16 ILE QG 4.970 . 5.470 4.153 3.014 4.821 . 0 0 "[ . 1 . 2]" 1
429 1 2 ILE MG 1 3 ALA HA 4.620 . 5.080 3.790 3.085 4.443 . 0 0 "[ . 1 . 2]" 1
430 1 2 ILE MG 1 86 ARG QG 4.320 . 4.750 4.191 2.426 4.972 0.222 9 0 "[ . 1 . 2]" 1
431 1 2 ILE MG 1 3 ALA H 5.230 . 5.750 2.591 2.144 3.273 . 0 0 "[ . 1 . 2]" 1
432 1 59 ILE MD 1 78 PHE QD 5.490 . 6.040 2.003 1.760 2.361 . 0 0 "[ . 1 . 2]" 1
433 1 24 ASN HA 1 30 VAL H 4.680 . 5.150 4.017 2.580 5.198 0.048 8 0 "[ . 1 . 2]" 1
434 1 8 ASN HB3 1 9 LYS H 5.020 . 5.520 3.988 3.686 4.368 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASN HB3 1 25 ILE MG 5.070 . 5.580 4.441 3.214 5.422 . 0 0 "[ . 1 . 2]" 1
436 1 8 ASN HB2 1 9 LYS H 5.020 . 5.520 4.055 2.875 4.554 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS HA 1 29 LYS QD 3.920 . 4.310 3.593 2.702 4.304 . 0 0 "[ . 1 . 2]" 1
438 1 2 ILE MG 1 16 ILE HA 4.040 . 4.440 4.058 1.912 4.681 0.241 15 0 "[ . 1 . 2]" 1
439 1 15 THR HA 1 16 ILE MD 4.380 . 4.820 4.319 3.907 5.040 0.220 11 0 "[ . 1 . 2]" 1
440 1 58 THR HA 1 79 VAL HA 3.770 . 4.150 2.118 1.989 2.350 . 0 0 "[ . 1 . 2]" 1
441 1 65 VAL HA 1 124 ALA HA 3.960 . 4.360 1.684 1.577 1.815 . 0 0 "[ . 1 . 2]" 1
442 1 15 THR HA 1 16 ILE H 3.470 . 3.820 2.318 2.150 2.474 . 0 0 "[ . 1 . 2]" 1
443 1 15 THR HB 1 16 ILE HB 5.230 . 5.750 5.011 4.167 5.944 0.194 12 0 "[ . 1 . 2]" 1
444 1 24 ASN HB2 1 25 ILE MG 5.070 . 5.580 4.268 2.919 5.691 0.111 14 0 "[ . 1 . 2]" 1
445 1 2 ILE HB 1 16 ILE MD 4.450 . 4.880 4.627 2.725 5.049 0.169 5 0 "[ . 1 . 2]" 1
446 1 16 ILE MD 1 16 ILE MG 2.400 . 2.640 2.122 2.041 2.213 . 0 0 "[ . 1 . 2]" 1
447 1 138 LEU QB 1 139 PRO HD3 4.580 . 5.040 4.414 4.156 4.560 . 0 0 "[ . 1 . 2]" 1
448 1 138 LEU H 1 139 PRO HD3 4.890 . 5.380 2.722 2.327 3.869 . 0 0 "[ . 1 . 2]" 1
449 1 138 LEU H 1 139 PRO HD2 4.890 . 5.380 3.612 3.055 4.792 . 0 0 "[ . 1 . 2]" 1
450 1 44 TRP HH2 1 81 ALA HA 5.040 . 5.540 4.701 4.004 5.594 0.054 6 0 "[ . 1 . 2]" 1
451 1 21 ALA MB 1 22 TRP H 4.930 . 5.420 3.361 2.802 3.606 . 0 0 "[ . 1 . 2]" 1
452 1 22 TRP HD1 1 72 GLY QA 4.520 . 4.970 4.187 2.640 5.075 0.105 1 0 "[ . 1 . 2]" 1
453 1 27 THR HA 1 27 THR MG 3.040 . 3.340 2.549 2.318 3.279 . 0 0 "[ . 1 . 2]" 1
454 1 120 LYS QD 1 122 LYS QB 3.700 . 4.070 3.423 2.044 4.189 0.119 18 0 "[ . 1 . 2]" 1
455 1 74 LYS HB3 1 74 LYS QE 4.330 . 4.760 2.043 1.948 2.173 . 0 0 "[ . 1 . 2]" 1
456 1 15 THR HA 1 15 THR MG 3.010 . 3.310 2.369 2.317 2.435 . 0 0 "[ . 1 . 2]" 1
457 1 15 THR HA 1 16 ILE QG 3.810 . 4.190 3.771 3.493 3.963 . 0 0 "[ . 1 . 2]" 1
458 1 57 VAL MG1 1 130 LEU HG 4.280 . 4.710 3.843 3.249 4.538 . 0 0 "[ . 1 . 2]" 1
459 1 80 LEU HG 1 84 GLN HG3 5.500 . 6.050 5.809 5.174 6.133 0.083 6 0 "[ . 1 . 2]" 1
460 1 80 LEU HG 1 84 GLN HG2 5.600 . 6.150 5.851 4.912 6.222 0.072 7 0 "[ . 1 . 2]" 1
461 1 58 THR HB 1 77 ASP HA 4.600 . 5.040 4.911 4.594 5.138 0.098 12 0 "[ . 1 . 2]" 1
462 1 60 ASP H 1 128 ILE MG 3.620 . 3.980 3.704 3.317 4.044 0.064 10 0 "[ . 1 . 2]" 1
463 1 59 ILE HA 1 128 ILE MG 5.070 . 5.540 5.403 4.746 5.643 0.103 12 0 "[ . 1 . 2]" 1
464 1 59 ILE HB 1 128 ILE MG 4.230 . 4.650 4.463 3.826 4.788 0.138 5 0 "[ . 1 . 2]" 1
465 1 58 THR MG 1 131 LYS QD 3.520 . 3.870 3.634 2.792 4.102 0.232 10 0 "[ . 1 . 2]" 1
466 1 58 THR MG 1 131 LYS QE 4.640 . 5.100 4.683 3.624 5.146 0.046 18 0 "[ . 1 . 2]" 1
467 1 58 THR MG 1 59 ILE HA 3.960 . 4.360 3.844 3.337 4.271 . 0 0 "[ . 1 . 2]" 1
468 1 58 THR MG 1 59 ILE H 3.550 . 3.900 2.923 2.411 3.287 . 0 0 "[ . 1 . 2]" 1
469 1 58 THR MG 1 78 PHE H 4.130 . 4.540 3.391 2.603 3.794 . 0 0 "[ . 1 . 2]" 1
470 1 58 THR MG 1 131 LYS HB3 4.340 . 4.770 2.340 2.012 2.685 . 0 0 "[ . 1 . 2]" 1
471 1 19 PRO QG 1 111 PRO HG3 3.940 . 4.330 3.656 2.556 4.400 0.070 19 0 "[ . 1 . 2]" 1
472 1 89 PRO QD 1 111 PRO HG3 4.750 . 5.230 2.952 2.241 4.046 . 0 0 "[ . 1 . 2]" 1
473 1 89 PRO QD 1 111 PRO HG2 4.750 . 5.230 4.236 3.327 5.227 . 0 0 "[ . 1 . 2]" 1
474 1 88 ILE MD 1 108 VAL HB 4.280 . 4.710 2.344 1.951 2.901 . 0 0 "[ . 1 . 2]" 1
475 1 88 ILE MD 1 91 PHE QE 4.270 . 4.700 3.352 3.021 4.101 . 0 0 "[ . 1 . 2]" 1
476 1 49 GLY QA 1 50 ALA MB 4.270 . 4.700 3.649 3.475 3.817 . 0 0 "[ . 1 . 2]" 1
477 1 95 ILE QG 1 96 LYS QB 4.390 . 4.830 4.181 3.470 4.931 0.101 3 0 "[ . 1 . 2]" 1
478 1 53 ALA H 1 96 LYS QB 5.500 . 6.050 5.017 4.026 6.072 0.022 9 0 "[ . 1 . 2]" 1
479 1 132 LYS QD 1 134 GLU HA 4.800 . 5.280 5.042 4.531 5.536 0.256 11 0 "[ . 1 . 2]" 1
480 1 127 ALA H 1 127 ALA MB 3.160 . 3.480 2.301 2.256 2.382 . 0 0 "[ . 1 . 2]" 1
481 1 60 ASP HB2 1 128 ILE MG 4.330 . 4.760 4.633 3.677 4.952 0.192 2 0 "[ . 1 . 2]" 1
482 1 61 PHE QB 1 128 ILE MG 4.990 . 5.490 3.392 2.718 4.207 . 0 0 "[ . 1 . 2]" 1
483 1 77 ASP QB 1 136 ARG HB2 4.160 . 4.580 3.810 2.136 4.805 0.225 13 0 "[ . 1 . 2]" 1
484 1 77 ASP HA 1 136 ARG HB2 4.830 . 5.310 4.892 3.530 5.385 0.075 3 0 "[ . 1 . 2]" 1
485 1 136 ARG H 1 136 ARG HB2 3.930 . 4.320 3.113 2.362 4.107 . 0 0 "[ . 1 . 2]" 1
486 1 77 ASP QB 1 136 ARG HB3 4.160 . 4.580 3.353 2.094 4.387 . 0 0 "[ . 1 . 2]" 1
487 1 2 ILE MG 1 16 ILE HB 4.290 . 4.720 4.021 3.462 4.780 0.060 3 0 "[ . 1 . 2]" 1
488 1 88 ILE MD 1 90 GLY H 4.650 . 5.120 3.577 3.150 4.687 . 0 0 "[ . 1 . 2]" 1
489 1 81 ALA MB 1 82 MET QG 4.930 . 5.420 4.931 4.068 5.730 0.310 9 0 "[ . 1 . 2]" 1
490 1 119 LEU HA 1 122 LYS HD3 4.400 . 4.840 2.515 1.862 3.883 . 0 0 "[ . 1 . 2]" 1
491 1 61 PHE HZ 1 78 PHE QE 5.200 . 5.720 4.762 4.224 5.480 . 0 0 "[ . 1 . 2]" 1
492 1 64 SER HB3 1 69 GLU HA 4.710 . 5.180 3.436 3.122 3.880 . 0 0 "[ . 1 . 2]" 1
493 1 65 VAL MG1 1 124 ALA MB 4.040 . 4.440 3.865 3.745 4.039 . 0 0 "[ . 1 . 2]" 1
494 1 68 GLU HA 1 68 GLU HG2 3.720 . 4.090 3.310 3.208 3.424 . 0 0 "[ . 1 . 2]" 1
495 1 16 ILE MG 1 17 ASN HA 4.680 . 5.150 4.094 3.654 4.332 . 0 0 "[ . 1 . 2]" 1
496 1 96 LYS QB 1 96 LYS QE 3.330 . 3.660 2.197 1.971 2.971 . 0 0 "[ . 1 . 2]" 1
497 1 16 ILE HA 1 17 ASN HA 4.560 . 5.020 4.439 4.295 4.495 . 0 0 "[ . 1 . 2]" 1
498 1 61 PHE QB 1 126 PHE HB2 3.400 . 3.700 3.616 3.007 3.884 0.184 19 0 "[ . 1 . 2]" 1
499 1 51 VAL MG1 1 56 ARG HA 4.290 . 4.720 4.133 3.824 4.638 . 0 0 "[ . 1 . 2]" 1
500 1 56 ARG HA 1 95 ILE MD 4.200 . 4.590 4.439 3.730 4.766 0.176 4 0 "[ . 1 . 2]" 1
501 1 25 ILE HA 1 25 ILE MD 4.480 . 4.930 3.696 2.091 3.922 . 0 0 "[ . 1 . 2]" 1
502 1 25 ILE MD 1 30 VAL QG 4.780 . 5.260 4.569 2.664 5.556 0.296 2 0 "[ . 1 . 2]" 1
503 1 62 THR HA 1 74 LYS QE 3.730 . 4.100 3.480 2.955 3.911 . 0 0 "[ . 1 . 2]" 1
504 1 15 THR HB 1 86 ARG QB 4.840 . 5.320 4.374 3.366 5.576 0.256 14 0 "[ . 1 . 2]" 1
505 1 2 ILE MD 1 86 ARG QG 5.000 . 5.500 3.969 1.790 5.781 0.281 14 0 "[ . 1 . 2]" 1
506 1 105 THR MG 1 125 LYS QB 3.250 . 3.580 2.539 2.297 3.012 . 0 0 "[ . 1 . 2]" 1
507 1 138 LEU QB 1 139 PRO HD2 4.580 . 5.040 4.224 3.887 4.569 . 0 0 "[ . 1 . 2]" 1
508 1 132 LYS QB 1 132 LYS QD 3.110 . 3.420 2.608 2.330 2.902 . 0 0 "[ . 1 . 2]" 1
509 1 100 ALA MB 1 132 LYS HA 3.400 . 3.740 2.302 1.857 2.720 . 0 0 "[ . 1 . 2]" 1
510 1 132 LYS HA 1 132 LYS QD 3.380 . 3.720 2.290 1.796 4.026 0.306 11 0 "[ . 1 . 2]" 1
511 1 132 LYS HA 1 133 VAL H 2.990 . 3.290 2.213 2.096 2.628 . 0 0 "[ . 1 . 2]" 1
512 1 86 ARG HA 1 86 ARG QD 3.220 . 3.540 2.635 1.932 3.389 . 0 0 "[ . 1 . 2]" 1
513 1 87 MET QB 1 91 PHE QB 3.260 . 3.590 2.792 2.074 3.595 0.005 12 0 "[ . 1 . 2]" 1
514 1 138 LEU HA 1 139 PRO HD2 3.120 . 3.430 2.404 2.086 2.790 . 0 0 "[ . 1 . 2]" 1
515 1 44 TRP H 1 137 GLU QG 5.090 . 5.600 3.609 2.868 4.579 . 0 0 "[ . 1 . 2]" 1
516 1 43 THR MG 1 137 GLU QG 5.350 . 5.890 4.505 2.326 5.376 . 0 0 "[ . 1 . 2]" 1
517 1 109 THR HB 1 123 ALA HA 4.630 . 5.090 4.730 3.321 5.203 0.113 11 0 "[ . 1 . 2]" 1
518 1 109 THR HA 1 123 ALA HA 3.380 . 3.720 1.995 1.786 2.190 . 0 0 "[ . 1 . 2]" 1
519 1 15 THR MG 1 86 ARG HA 5.500 . 6.050 4.808 3.648 6.141 0.091 3 0 "[ . 1 . 2]" 1
520 1 21 ALA MB 1 23 SER HA 5.500 . 6.050 5.162 4.230 6.187 0.137 8 0 "[ . 1 . 2]" 1
521 1 15 THR MG 1 86 ARG QG 4.900 . 5.390 3.028 1.771 5.300 . 0 0 "[ . 1 . 2]" 1
522 1 16 ILE QG 1 86 ARG QG 5.270 . 5.800 4.441 2.810 5.950 0.150 12 0 "[ . 1 . 2]" 1
523 1 84 GLN H 1 84 GLN HG2 4.380 . 4.820 2.664 2.282 3.089 . 0 0 "[ . 1 . 2]" 1
524 1 62 THR HA 1 74 LYS HA 3.650 . 4.010 3.790 3.205 4.153 0.143 19 0 "[ . 1 . 2]" 1
525 1 110 PHE HA 1 111 PRO HG3 5.320 . 5.850 4.472 4.174 4.635 . 0 0 "[ . 1 . 2]" 1
526 1 110 PHE HA 1 111 PRO HG2 5.320 . 5.850 4.497 4.215 4.702 . 0 0 "[ . 1 . 2]" 1
527 1 89 PRO QD 1 110 PHE HA 3.680 . 4.050 3.760 3.243 4.173 0.123 20 0 "[ . 1 . 2]" 1
528 1 19 PRO QG 1 111 PRO HG2 3.940 . 4.330 2.426 1.949 2.933 . 0 0 "[ . 1 . 2]" 1
529 1 19 PRO HD2 1 20 TRP HZ2 10.000 5.700 10.550 9.989 9.275 10.559 0.009 13 0 "[ . 1 . 2]" 1
530 1 61 PHE H 1 61 PHE QB 3.580 . 3.940 3.253 2.925 3.352 . 0 0 "[ . 1 . 2]" 1
531 1 42 ALA HA 1 43 THR H 2.780 . 3.060 2.239 2.147 2.387 . 0 0 "[ . 1 . 2]" 1
532 1 43 THR H 1 43 THR HB 3.480 . 3.830 2.730 2.567 2.896 . 0 0 "[ . 1 . 2]" 1
533 1 42 ALA MB 1 43 THR H 3.370 . 3.710 3.253 2.656 3.691 . 0 0 "[ . 1 . 2]" 1
534 1 135 GLU HA 1 136 ARG H 3.390 . 3.730 2.310 2.128 3.350 . 0 0 "[ . 1 . 2]" 1
535 1 89 PRO HA 1 92 GLU H 4.360 . 4.800 3.823 3.480 4.233 . 0 0 "[ . 1 . 2]" 1
536 1 90 GLY QA 1 92 GLU H 4.840 . 5.320 3.516 3.312 3.824 . 0 0 "[ . 1 . 2]" 1
537 1 106 ILE HB 1 107 ASP H 3.470 . 3.820 3.072 2.466 3.271 . 0 0 "[ . 1 . 2]" 1
538 1 92 GLU H 1 108 VAL MG1 4.710 . 5.180 4.904 4.477 5.200 0.020 13 0 "[ . 1 . 2]" 1
539 1 44 TRP HD1 1 45 LYS H 5.000 . 5.460 5.213 4.465 5.676 0.216 10 0 "[ . 1 . 2]" 1
540 1 44 TRP HB3 1 45 LYS H 3.890 . 4.280 2.633 2.343 2.980 . 0 0 "[ . 1 . 2]" 1
541 1 44 TRP HB2 1 45 LYS H 4.270 . 4.700 3.850 3.555 4.082 . 0 0 "[ . 1 . 2]" 1
542 1 46 GLU H 1 134 GLU HA 4.910 . 5.400 4.154 3.573 5.178 . 0 0 "[ . 1 . 2]" 1
543 1 46 GLU H 1 134 GLU QG 5.140 . 5.650 4.844 4.237 5.800 0.150 10 0 "[ . 1 . 2]" 1
544 1 47 LYS H 1 134 GLU HA 3.470 . 3.820 2.895 2.110 3.651 . 0 0 "[ . 1 . 2]" 1
545 1 45 LYS HA 1 46 GLU H 2.770 . 3.050 2.368 2.294 2.450 . 0 0 "[ . 1 . 2]" 1
546 1 47 LYS H 1 134 GLU QG 3.770 . 4.150 3.604 2.799 4.234 0.084 9 0 "[ . 1 . 2]" 1
547 1 48 ASP H 1 49 GLY H 4.440 . 4.880 4.434 4.295 4.576 . 0 0 "[ . 1 . 2]" 1
548 1 48 ASP H 1 49 GLY QA 4.790 . 5.270 4.833 4.556 5.364 0.094 20 0 "[ . 1 . 2]" 1
549 1 49 GLY H 1 50 ALA H 4.580 . 5.040 4.331 3.925 4.620 . 0 0 "[ . 1 . 2]" 1
550 1 104 PHE H 1 128 ILE H 3.790 . 4.170 3.312 3.104 3.613 . 0 0 "[ . 1 . 2]" 1
551 1 103 GLU HA 1 104 PHE H 2.890 . 3.180 2.191 2.131 2.245 . 0 0 "[ . 1 . 2]" 1
552 1 49 GLY QA 1 50 ALA H 2.920 . 3.210 2.199 2.127 2.263 . 0 0 "[ . 1 . 2]" 1
553 1 104 PHE H 1 104 PHE HB3 4.010 . 4.410 3.533 3.414 3.626 . 0 0 "[ . 1 . 2]" 1
554 1 4 GLU H 1 4 GLU HB3 4.170 . 4.590 3.175 2.346 3.672 . 0 0 "[ . 1 . 2]" 1
555 1 50 ALA H 1 50 ALA MB 2.820 . 3.100 2.528 2.272 2.783 . 0 0 "[ . 1 . 2]" 1
556 1 104 PHE H 1 128 ILE MG 4.970 . 5.470 4.437 4.118 4.653 . 0 0 "[ . 1 . 2]" 1
557 1 51 VAL H 1 52 GLU H 4.600 . 5.060 4.545 4.482 4.594 . 0 0 "[ . 1 . 2]" 1
558 1 50 ALA H 1 51 VAL H 4.650 . 5.120 4.465 4.341 4.593 . 0 0 "[ . 1 . 2]" 1
559 1 51 VAL H 1 51 VAL HB 3.450 . 3.800 2.591 2.528 2.713 . 0 0 "[ . 1 . 2]" 1
560 1 51 VAL H 1 51 VAL MG2 3.090 . 3.400 2.104 1.975 2.199 . 0 0 "[ . 1 . 2]" 1
561 1 51 VAL H 1 51 VAL MG1 3.890 . 4.280 3.823 3.803 3.853 . 0 0 "[ . 1 . 2]" 1
562 1 51 VAL H 1 96 LYS HA 4.950 . 5.450 4.211 3.378 5.266 . 0 0 "[ . 1 . 2]" 1
563 1 51 VAL HA 1 52 GLU H 2.980 . 3.280 2.187 2.127 2.247 . 0 0 "[ . 1 . 2]" 1
564 1 52 GLU H 1 52 GLU HG2 4.460 . 4.910 2.772 2.340 3.591 . 0 0 "[ . 1 . 2]" 1
565 1 51 VAL MG2 1 52 GLU H 4.130 . 4.540 4.103 4.021 4.189 . 0 0 "[ . 1 . 2]" 1
566 1 51 VAL MG1 1 52 GLU H 3.470 . 3.820 2.570 2.389 2.741 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLU H 1 53 ALA H 4.540 . 4.990 4.497 4.414 4.546 . 0 0 "[ . 1 . 2]" 1
568 1 53 ALA H 1 55 ASP H 4.750 . 5.230 3.847 3.605 4.059 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLU HA 1 53 ALA H 3.040 . 3.340 2.548 2.428 2.700 . 0 0 "[ . 1 . 2]" 1
570 1 53 ALA H 1 96 LYS QE 4.500 . 4.950 3.807 2.574 4.426 . 0 0 "[ . 1 . 2]" 1
571 1 52 GLU HB2 1 53 ALA H 3.200 . 3.500 3.259 2.901 3.451 . 0 0 "[ . 1 . 2]" 1
572 1 53 ALA H 1 53 ALA MB 2.950 . 3.250 2.248 2.206 2.271 . 0 0 "[ . 1 . 2]" 1
573 1 51 VAL MG1 1 53 ALA H 5.500 . 6.050 5.183 5.069 5.322 . 0 0 "[ . 1 . 2]" 1
574 1 52 GLU HB3 1 54 GLU H 3.370 . 3.710 2.986 2.733 3.432 . 0 0 "[ . 1 . 2]" 1
575 1 53 ALA MB 1 54 GLU H 3.570 . 3.930 2.837 2.460 3.096 . 0 0 "[ . 1 . 2]" 1
576 1 52 GLU H 1 55 ASP H 4.600 . 5.060 3.546 3.196 3.838 . 0 0 "[ . 1 . 2]" 1
577 1 54 GLU H 1 55 ASP H 3.160 . 3.480 2.219 2.088 2.537 . 0 0 "[ . 1 . 2]" 1
578 1 53 ALA HA 1 55 ASP H 4.300 . 4.730 4.127 3.938 4.360 . 0 0 "[ . 1 . 2]" 1
579 1 52 GLU HG2 1 55 ASP H 4.670 . 5.140 5.021 4.656 5.211 0.071 8 0 "[ . 1 . 2]" 1
580 1 52 GLU HB3 1 55 ASP H 4.100 . 4.510 3.728 3.459 4.005 . 0 0 "[ . 1 . 2]" 1
581 1 53 ALA MB 1 55 ASP H 4.750 . 5.230 4.426 4.155 4.582 . 0 0 "[ . 1 . 2]" 1
582 1 51 VAL MG1 1 55 ASP H 4.000 . 4.400 3.929 3.638 4.482 0.082 9 0 "[ . 1 . 2]" 1
583 1 55 ASP H 1 56 ARG H 4.720 . 5.190 4.590 4.553 4.661 . 0 0 "[ . 1 . 2]" 1
584 1 55 ASP HA 1 56 ARG H 3.280 . 3.610 2.298 2.243 2.373 . 0 0 "[ . 1 . 2]" 1
585 1 56 ARG H 1 81 ALA HA 5.390 . 5.930 4.567 4.238 5.034 . 0 0 "[ . 1 . 2]" 1
586 1 56 ARG H 1 57 VAL HB 5.310 . 5.840 5.054 4.546 5.469 . 0 0 "[ . 1 . 2]" 1
587 1 56 ARG H 1 81 ALA MB 5.500 . 6.050 4.955 4.092 5.529 . 0 0 "[ . 1 . 2]" 1
588 1 56 ARG H 1 95 ILE MD 5.830 . 6.380 6.207 5.406 6.611 0.231 20 0 "[ . 1 . 2]" 1
589 1 56 ARG HA 1 57 VAL H 3.170 . 3.490 2.209 2.140 2.373 . 0 0 "[ . 1 . 2]" 1
590 1 57 VAL H 1 95 ILE HB 5.620 . 6.160 6.139 5.186 6.327 0.167 10 0 "[ . 1 . 2]" 1
591 1 57 VAL H 1 95 ILE MD 4.150 . 4.570 3.828 3.454 4.366 . 0 0 "[ . 1 . 2]" 1
592 1 57 VAL H 1 57 VAL MG1 3.200 . 3.520 2.381 2.285 2.479 . 0 0 "[ . 1 . 2]" 1
593 1 58 THR H 1 58 THR HB 3.810 . 4.190 2.565 2.478 2.659 . 0 0 "[ . 1 . 2]" 1
594 1 57 VAL HB 1 58 THR H 4.030 . 4.430 4.139 4.039 4.236 . 0 0 "[ . 1 . 2]" 1
595 1 58 THR H 1 79 VAL HB 5.500 . 6.050 5.782 5.274 6.066 0.016 6 0 "[ . 1 . 2]" 1
596 1 58 THR H 1 131 LYS HB2 6.000 2.230 6.500 6.198 4.690 6.606 0.106 7 0 "[ . 1 . 2]" 1
597 1 58 THR H 1 58 THR MG 4.170 . 4.590 3.817 3.787 3.873 . 0 0 "[ . 1 . 2]" 1
598 1 58 THR HA 1 59 ILE H 3.160 . 3.480 2.166 2.098 2.233 . 0 0 "[ . 1 . 2]" 1
599 1 58 THR HB 1 59 ILE H 4.940 . 5.430 4.248 3.983 4.407 . 0 0 "[ . 1 . 2]" 1
600 1 59 ILE H 1 78 PHE HB3 4.860 . 5.350 3.940 3.700 4.158 . 0 0 "[ . 1 . 2]" 1
601 1 59 ILE H 1 78 PHE HB2 4.960 . 5.460 5.438 5.151 5.539 0.079 17 0 "[ . 1 . 2]" 1
602 1 59 ILE H 1 131 LYS HB3 4.080 . 4.490 4.270 3.887 4.692 0.202 3 0 "[ . 1 . 2]" 1
603 1 59 ILE H 1 59 ILE QG 3.820 . 4.200 2.153 1.897 2.440 . 0 0 "[ . 1 . 2]" 1
604 1 59 ILE HA 1 60 ASP H 3.110 . 3.420 2.384 2.194 2.526 . 0 0 "[ . 1 . 2]" 1
605 1 60 ASP H 1 61 PHE QB 5.360 . 5.900 4.731 4.330 5.223 . 0 0 "[ . 1 . 2]" 1
606 1 60 ASP H 1 131 LYS QE 4.470 . 4.920 4.878 4.176 5.058 0.138 7 0 "[ . 1 . 2]" 1
607 1 60 ASP H 1 60 ASP HB2 3.820 . 4.200 2.905 2.406 3.122 . 0 0 "[ . 1 . 2]" 1
608 1 59 ILE HB 1 60 ASP H 3.660 . 4.030 2.340 2.009 2.924 . 0 0 "[ . 1 . 2]" 1
609 1 59 ILE QG 1 60 ASP H 4.800 . 5.280 4.039 3.195 4.652 . 0 0 "[ . 1 . 2]" 1
610 1 60 ASP H 1 131 LYS QD 5.240 . 5.760 4.514 2.949 5.809 0.049 20 0 "[ . 1 . 2]" 1
611 1 59 ILE MD 1 60 ASP H 3.860 . 4.250 3.428 2.944 4.062 . 0 0 "[ . 1 . 2]" 1
612 1 60 ASP H 1 131 LYS QG 5.320 . 5.850 4.775 2.453 5.783 . 0 0 "[ . 1 . 2]" 1
613 1 60 ASP H 1 128 ILE QG 5.130 . 5.640 3.931 3.035 4.634 . 0 0 "[ . 1 . 2]" 1
614 1 61 PHE H 1 75 ALA H 3.560 . 3.920 3.413 3.007 3.677 . 0 0 "[ . 1 . 2]" 1
615 1 60 ASP HA 1 61 PHE H 3.040 . 3.340 2.357 2.282 2.461 . 0 0 "[ . 1 . 2]" 1
616 1 61 PHE H 1 62 THR HB 4.800 . 5.280 4.459 4.185 4.807 . 0 0 "[ . 1 . 2]" 1
617 1 60 ASP HB2 1 61 PHE H 4.400 . 4.840 4.261 4.072 4.652 . 0 0 "[ . 1 . 2]" 1
618 1 61 PHE H 1 62 THR MG 4.920 . 5.410 4.323 3.945 4.698 . 0 0 "[ . 1 . 2]" 1
619 1 61 PHE H 1 75 ALA MB 4.330 . 4.760 4.393 4.088 4.661 . 0 0 "[ . 1 . 2]" 1
620 1 62 THR H 1 126 PHE QD 4.500 . 4.950 2.669 2.202 3.249 . 0 0 "[ . 1 . 2]" 1
621 1 61 PHE HA 1 62 THR H 3.210 . 3.530 2.101 2.059 2.155 . 0 0 "[ . 1 . 2]" 1
622 1 62 THR H 1 74 LYS HA 5.500 . 6.050 5.579 5.255 5.858 . 0 0 "[ . 1 . 2]" 1
623 1 62 THR H 1 62 THR HB 3.790 . 4.170 3.523 3.380 3.597 . 0 0 "[ . 1 . 2]" 1
624 1 61 PHE QB 1 62 THR H 3.670 . 4.040 3.192 2.943 3.485 . 0 0 "[ . 1 . 2]" 1
625 1 62 THR H 1 62 THR MG 4.210 . 4.630 2.694 2.543 2.826 . 0 0 "[ . 1 . 2]" 1
626 1 63 GLY H 1 70 PHE QE 4.720 . 5.190 3.842 3.203 4.316 . 0 0 "[ . 1 . 2]" 1
627 1 63 GLY H 1 126 PHE QD 5.290 . 5.820 3.649 2.961 4.229 . 0 0 "[ . 1 . 2]" 1
628 1 62 THR HB 1 63 GLY H 4.910 . 5.400 3.942 3.787 4.222 . 0 0 "[ . 1 . 2]" 1
629 1 64 SER H 1 125 LYS H 4.270 . 4.700 3.687 3.403 3.916 . 0 0 "[ . 1 . 2]" 1
630 1 64 SER H 1 70 PHE QD 5.140 . 5.650 4.887 4.516 5.304 . 0 0 "[ . 1 . 2]" 1
631 1 64 SER H 1 126 PHE HA 4.960 . 5.460 4.041 3.524 4.859 . 0 0 "[ . 1 . 2]" 1
632 1 64 SER H 1 125 LYS QB 5.150 . 5.670 4.792 4.512 5.191 . 0 0 "[ . 1 . 2]" 1
633 1 65 VAL H 1 70 PHE QD 3.880 . 4.270 3.042 2.733 3.502 . 0 0 "[ . 1 . 2]" 1
634 1 64 SER HA 1 65 VAL H 3.150 . 3.470 2.372 2.274 2.458 . 0 0 "[ . 1 . 2]" 1
635 1 64 SER HB3 1 65 VAL H 4.100 . 4.510 2.797 2.297 3.810 . 0 0 "[ . 1 . 2]" 1
636 1 64 SER HB2 1 65 VAL H 4.100 . 4.510 3.318 2.289 3.820 . 0 0 "[ . 1 . 2]" 1
637 1 65 VAL H 1 65 VAL HB 3.730 . 4.100 3.108 2.997 3.251 . 0 0 "[ . 1 . 2]" 1
638 1 65 VAL H 1 65 VAL MG2 4.520 . 4.970 3.918 3.889 3.952 . 0 0 "[ . 1 . 2]" 1
639 1 66 ASP H 1 124 ALA HA 4.500 . 4.950 2.542 2.145 2.811 . 0 0 "[ . 1 . 2]" 1
640 1 65 VAL HB 1 66 ASP H 4.780 . 5.260 4.409 4.335 4.465 . 0 0 "[ . 1 . 2]" 1
641 1 66 ASP H 1 125 LYS QG 4.960 . 5.460 3.646 2.639 4.505 . 0 0 "[ . 1 . 2]" 1
642 1 66 ASP H 1 67 GLY H 3.670 . 4.040 2.724 2.674 2.802 . 0 0 "[ . 1 . 2]" 1
643 1 67 GLY H 1 68 GLU H 3.480 . 3.830 2.578 2.417 2.791 . 0 0 "[ . 1 . 2]" 1
644 1 66 ASP HB3 1 67 GLY H 4.820 . 5.300 4.195 4.085 4.323 . 0 0 "[ . 1 . 2]" 1
645 1 66 ASP HB2 1 67 GLY H 4.820 . 5.300 4.613 4.578 4.650 . 0 0 "[ . 1 . 2]" 1
646 1 65 VAL HB 1 67 GLY H 5.500 . 6.050 5.698 5.535 5.887 . 0 0 "[ . 1 . 2]" 1
647 1 65 VAL H 1 68 GLU H 3.350 . 3.690 2.964 2.472 3.585 . 0 0 "[ . 1 . 2]" 1
648 1 68 GLU H 1 69 GLU HA 5.060 . 5.570 5.136 4.828 5.302 . 0 0 "[ . 1 . 2]" 1
649 1 64 SER HB3 1 68 GLU H 4.020 . 4.420 3.363 2.767 4.507 0.087 12 0 "[ . 1 . 2]" 1
650 1 64 SER HB2 1 68 GLU H 4.020 . 4.420 3.926 2.472 4.525 0.105 11 0 "[ . 1 . 2]" 1
651 1 68 GLU H 1 68 GLU HB3 3.370 . 3.710 2.382 2.309 2.545 . 0 0 "[ . 1 . 2]" 1
652 1 68 GLU H 1 68 GLU HB2 3.370 . 3.710 2.996 2.853 3.204 . 0 0 "[ . 1 . 2]" 1
653 1 102 GLU H 1 102 GLU HB3 3.960 . 4.360 2.727 2.652 2.825 . 0 0 "[ . 1 . 2]" 1
654 1 68 GLU HG2 1 69 GLU H 3.590 . 3.950 3.284 3.128 3.449 . 0 0 "[ . 1 . 2]" 1
655 1 70 PHE H 1 71 GLU H 5.060 . 5.570 4.168 3.706 4.429 . 0 0 "[ . 1 . 2]" 1
656 1 70 PHE QD 1 71 GLU H 5.250 . 5.780 4.754 4.275 4.939 . 0 0 "[ . 1 . 2]" 1
657 1 70 PHE HA 1 71 GLU H 3.310 . 3.640 2.158 2.108 2.285 . 0 0 "[ . 1 . 2]" 1
658 1 70 PHE HB3 1 71 GLU H 4.020 . 4.420 4.375 4.096 4.561 0.141 19 0 "[ . 1 . 2]" 1
659 1 70 PHE HB2 1 71 GLU H 4.500 . 4.950 3.617 2.914 4.167 . 0 0 "[ . 1 . 2]" 1
660 1 72 GLY H 1 73 GLY H 3.990 . 4.390 2.721 2.272 3.057 . 0 0 "[ . 1 . 2]" 1
661 1 73 GLY H 1 74 LYS H 4.080 . 4.490 2.745 1.840 3.497 . 0 0 "[ . 1 . 2]" 1
662 1 70 PHE QE 1 73 GLY H 4.340 . 4.770 4.694 3.687 5.004 0.234 7 0 "[ . 1 . 2]" 1
663 1 73 GLY H 1 74 LYS QE 3.560 . 3.920 3.640 2.833 3.997 0.077 20 0 "[ . 1 . 2]" 1
664 1 73 GLY H 1 74 LYS HB3 5.360 . 5.900 4.517 4.057 5.038 . 0 0 "[ . 1 . 2]" 1
665 1 61 PHE QE 1 74 LYS H 4.630 . 5.090 4.331 4.004 4.753 . 0 0 "[ . 1 . 2]" 1
666 1 74 LYS H 1 74 LYS QE 4.090 . 4.500 3.858 3.275 4.202 . 0 0 "[ . 1 . 2]" 1
667 1 74 LYS H 1 74 LYS HB3 3.930 . 4.320 3.336 3.106 3.513 . 0 0 "[ . 1 . 2]" 1
668 1 74 LYS H 1 75 ALA H 4.450 . 4.900 4.388 4.291 4.474 . 0 0 "[ . 1 . 2]" 1
669 1 61 PHE QD 1 75 ALA H 5.300 . 5.830 3.354 2.967 3.649 . 0 0 "[ . 1 . 2]" 1
670 1 61 PHE QE 1 75 ALA H 4.830 . 5.310 3.326 2.955 3.605 . 0 0 "[ . 1 . 2]" 1
671 1 74 LYS HA 1 75 ALA H 2.910 . 3.200 2.290 2.209 2.398 . 0 0 "[ . 1 . 2]" 1
672 1 74 LYS HB3 1 75 ALA H 3.880 . 4.270 3.937 3.777 4.081 . 0 0 "[ . 1 . 2]" 1
673 1 74 LYS QE 1 75 ALA H 5.500 . 6.050 5.541 5.318 5.741 . 0 0 "[ . 1 . 2]" 1
674 1 75 ALA HA 1 76 SER H 2.750 . 3.030 2.140 2.091 2.183 . 0 0 "[ . 1 . 2]" 1
675 1 76 SER H 1 76 SER HB2 3.960 . 4.360 3.535 2.501 3.677 . 0 0 "[ . 1 . 2]" 1
676 1 76 SER H 1 76 SER HB3 3.960 . 4.360 2.883 2.462 3.647 . 0 0 "[ . 1 . 2]" 1
677 1 76 SER H 1 77 ASP QB 5.230 . 5.750 5.116 4.881 5.848 0.098 8 0 "[ . 1 . 2]" 1
678 1 75 ALA MB 1 76 SER H 3.360 . 3.700 3.002 2.783 3.194 . 0 0 "[ . 1 . 2]" 1
679 1 77 ASP H 1 78 PHE H 3.870 . 4.260 2.765 2.653 3.320 . 0 0 "[ . 1 . 2]" 1
680 1 76 SER H 1 77 ASP H 4.750 . 5.230 4.542 4.491 4.580 . 0 0 "[ . 1 . 2]" 1
681 1 76 SER HA 1 77 ASP H 3.180 . 3.500 2.245 2.174 2.307 . 0 0 "[ . 1 . 2]" 1
682 1 60 ASP HB2 1 77 ASP H 4.600 . 5.060 3.126 2.818 3.384 . 0 0 "[ . 1 . 2]" 1
683 1 58 THR MG 1 77 ASP H 4.480 . 4.930 4.035 3.553 4.328 . 0 0 "[ . 1 . 2]" 1
684 1 59 ILE H 1 78 PHE H 3.760 . 4.140 3.903 3.470 4.248 0.108 15 0 "[ . 1 . 2]" 1
685 1 60 ASP HA 1 78 PHE H 4.570 . 5.030 3.180 2.873 3.516 . 0 0 "[ . 1 . 2]" 1
686 1 77 ASP HA 1 78 PHE H 3.490 . 3.840 2.751 2.192 2.895 . 0 0 "[ . 1 . 2]" 1
687 1 78 PHE H 1 78 PHE HB3 3.390 . 3.730 2.473 2.380 2.690 . 0 0 "[ . 1 . 2]" 1
688 1 75 ALA MB 1 78 PHE H 4.620 . 5.080 4.333 3.946 5.052 . 0 0 "[ . 1 . 2]" 1
689 1 78 PHE H 1 79 VAL MG1 4.950 . 5.450 4.966 4.520 5.146 . 0 0 "[ . 1 . 2]" 1
690 1 78 PHE H 1 79 VAL H 4.610 . 5.070 4.488 4.267 4.541 . 0 0 "[ . 1 . 2]" 1
691 1 78 PHE QD 1 79 VAL H 4.780 . 5.260 3.523 3.248 3.885 . 0 0 "[ . 1 . 2]" 1
692 1 78 PHE HA 1 79 VAL H 2.920 . 3.210 2.175 2.118 2.207 . 0 0 "[ . 1 . 2]" 1
693 1 78 PHE HB3 1 79 VAL H 4.640 . 5.100 4.227 4.116 4.306 . 0 0 "[ . 1 . 2]" 1
694 1 79 VAL H 1 79 VAL MG1 3.420 . 3.760 2.682 2.526 2.885 . 0 0 "[ . 1 . 2]" 1
695 1 79 VAL H 1 79 VAL MG2 4.410 . 4.850 1.955 1.893 2.019 . 0 0 "[ . 1 . 2]" 1
696 1 79 VAL H 1 80 LEU H 4.670 . 5.140 4.308 4.085 4.522 . 0 0 "[ . 1 . 2]" 1
697 1 58 THR HA 1 80 LEU H 4.190 . 4.610 2.879 2.635 3.404 . 0 0 "[ . 1 . 2]" 1
698 1 80 LEU H 1 80 LEU HB3 3.770 . 4.150 2.545 2.390 2.709 . 0 0 "[ . 1 . 2]" 1
699 1 80 LEU H 1 80 LEU HB2 3.770 . 4.150 2.986 2.765 3.202 . 0 0 "[ . 1 . 2]" 1
700 1 79 VAL MG1 1 80 LEU H 4.460 . 4.910 4.038 3.826 4.186 . 0 0 "[ . 1 . 2]" 1
701 1 79 VAL MG2 1 80 LEU H 4.260 . 4.690 4.256 4.051 4.359 . 0 0 "[ . 1 . 2]" 1
702 1 80 LEU HA 1 81 ALA H 2.980 . 3.280 2.146 2.107 2.222 . 0 0 "[ . 1 . 2]" 1
703 1 82 MET H 1 83 GLY H 4.860 . 5.350 4.607 4.508 4.663 . 0 0 "[ . 1 . 2]" 1
704 1 56 ARG HA 1 82 MET H 3.680 . 4.050 2.848 2.518 3.808 . 0 0 "[ . 1 . 2]" 1
705 1 81 ALA HA 1 82 MET H 3.080 . 3.390 2.214 2.169 2.254 . 0 0 "[ . 1 . 2]" 1
706 1 82 MET H 1 82 MET QG 3.660 . 4.030 2.688 2.184 3.836 . 0 0 "[ . 1 . 2]" 1
707 1 81 ALA MB 1 82 MET H 3.750 . 4.130 3.117 2.987 3.314 . 0 0 "[ . 1 . 2]" 1
708 1 51 VAL MG1 1 82 MET H 5.140 . 5.650 4.732 3.772 5.255 . 0 0 "[ . 1 . 2]" 1
709 1 83 GLY H 1 84 GLN H 3.800 . 4.180 2.504 2.315 2.780 . 0 0 "[ . 1 . 2]" 1
710 1 82 MET HA 1 83 GLY H 3.270 . 3.600 2.321 2.205 2.679 . 0 0 "[ . 1 . 2]" 1
711 1 83 GLY H 1 84 GLN HG3 5.510 . 6.030 5.947 5.671 6.152 0.122 3 0 "[ . 1 . 2]" 1
712 1 125 LYS HA 1 126 PHE H 3.100 . 3.410 2.167 2.117 2.238 . 0 0 "[ . 1 . 2]" 1
713 1 82 MET HA 1 84 GLN H 4.490 . 4.940 3.194 2.757 3.920 . 0 0 "[ . 1 . 2]" 1
714 1 105 THR MG 1 126 PHE H 4.500 . 4.950 3.199 2.913 3.508 . 0 0 "[ . 1 . 2]" 1
715 1 81 ALA MB 1 84 GLN H 5.280 . 5.810 4.706 4.232 5.205 . 0 0 "[ . 1 . 2]" 1
716 1 124 ALA MB 1 126 PHE H 5.500 . 6.050 4.907 4.754 5.065 . 0 0 "[ . 1 . 2]" 1
717 1 84 GLN H 1 84 GLN HG3 3.940 . 4.330 3.949 3.720 4.226 . 0 0 "[ . 1 . 2]" 1
718 1 85 GLY H 1 86 ARG H 3.880 . 4.270 2.575 2.181 2.871 . 0 0 "[ . 1 . 2]" 1
719 1 88 ILE MG 1 90 GLY H 4.600 . 5.060 4.419 4.122 5.005 . 0 0 "[ . 1 . 2]" 1
720 1 90 GLY H 1 91 PHE H 4.430 . 4.870 2.700 2.614 2.821 . 0 0 "[ . 1 . 2]" 1
721 1 91 PHE H 1 92 GLU H 4.740 . 5.210 2.711 2.509 2.935 . 0 0 "[ . 1 . 2]" 1
722 1 91 PHE H 1 108 VAL MG1 4.480 . 4.930 3.760 2.816 4.124 . 0 0 "[ . 1 . 2]" 1
723 1 100 ALA HA 1 102 GLU H 3.800 . 4.180 3.428 3.273 3.579 . 0 0 "[ . 1 . 2]" 1
724 1 102 GLU H 1 102 GLU HG2 4.510 . 4.960 2.011 1.896 2.127 . 0 0 "[ . 1 . 2]" 1
725 1 25 ILE HB 1 30 VAL H 4.260 . 4.690 3.557 1.986 4.811 0.121 14 0 "[ . 1 . 2]" 1
726 1 100 ALA MB 1 102 GLU H 4.740 . 5.210 4.315 4.199 4.469 . 0 0 "[ . 1 . 2]" 1
727 1 30 VAL H 1 30 VAL QG 3.500 . 3.850 2.206 1.883 2.682 . 0 0 "[ . 1 . 2]" 1
728 1 25 ILE QG 1 30 VAL H 4.810 . 5.290 3.765 2.584 4.845 . 0 0 "[ . 1 . 2]" 1
729 1 94 GLY H 1 106 ILE HB 5.400 . 5.920 5.744 4.915 5.988 0.068 2 0 "[ . 1 . 2]" 1
730 1 94 GLY H 1 106 ILE MG 4.360 . 4.800 4.326 3.951 4.516 . 0 0 "[ . 1 . 2]" 1
731 1 94 GLY H 1 106 ILE MD 5.200 . 5.690 5.109 3.801 5.764 0.074 15 0 "[ . 1 . 2]" 1
732 1 95 ILE H 1 96 LYS H 3.200 . 3.520 2.146 1.874 2.442 . 0 0 "[ . 1 . 2]" 1
733 1 95 ILE H 1 96 LYS HA 4.780 . 5.260 4.707 4.449 4.967 . 0 0 "[ . 1 . 2]" 1
734 1 95 ILE H 1 95 ILE QG 4.430 . 4.870 2.034 1.863 2.200 . 0 0 "[ . 1 . 2]" 1
735 1 69 GLU HA 1 70 PHE H 3.560 . 3.920 2.169 2.100 2.253 . 0 0 "[ . 1 . 2]" 1
736 1 69 GLU QB 1 70 PHE H 3.640 . 4.000 3.375 2.588 3.926 . 0 0 "[ . 1 . 2]" 1
737 1 96 LYS H 1 97 GLY H 4.720 . 5.190 4.619 4.580 4.669 . 0 0 "[ . 1 . 2]" 1
738 1 96 LYS HA 1 97 GLY H 3.070 . 3.380 2.308 2.209 2.440 . 0 0 "[ . 1 . 2]" 1
739 1 51 VAL HB 1 97 GLY H 3.590 . 3.950 3.557 3.142 3.998 0.048 3 0 "[ . 1 . 2]" 1
740 1 96 LYS QB 1 97 GLY H 4.520 . 4.970 2.710 2.322 3.169 . 0 0 "[ . 1 . 2]" 1
741 1 50 ALA MB 1 97 GLY H 4.280 . 4.710 3.386 2.702 4.277 . 0 0 "[ . 1 . 2]" 1
742 1 51 VAL MG1 1 97 GLY H 4.540 . 4.990 4.310 3.613 4.959 . 0 0 "[ . 1 . 2]" 1
743 1 51 VAL MG2 1 97 GLY H 4.760 . 5.240 4.770 4.409 5.167 . 0 0 "[ . 1 . 2]" 1
744 1 97 GLY H 1 98 HIS H 3.610 . 3.970 2.678 2.549 2.817 . 0 0 "[ . 1 . 2]" 1
745 1 51 VAL H 1 98 HIS H 3.960 . 4.360 2.839 2.486 3.114 . 0 0 "[ . 1 . 2]" 1
746 1 98 HIS H 1 98 HIS HD1 4.700 . 5.170 4.395 4.188 4.570 . 0 0 "[ . 1 . 2]" 1
747 1 50 ALA HA 1 98 HIS H 3.920 . 4.310 3.938 3.435 4.388 0.078 16 0 "[ . 1 . 2]" 1
748 1 96 LYS HA 1 98 HIS H 4.910 . 5.400 3.508 3.304 3.902 . 0 0 "[ . 1 . 2]" 1
749 1 51 VAL MG2 1 98 HIS H 3.840 . 4.220 3.839 3.568 4.259 0.039 7 0 "[ . 1 . 2]" 1
750 1 99 LYS H 1 102 GLU HG3 4.600 . 5.050 4.991 4.579 5.142 0.092 13 0 "[ . 1 . 2]" 1
751 1 99 LYS H 1 102 GLU HG2 4.460 . 4.910 3.954 3.580 4.119 . 0 0 "[ . 1 . 2]" 1
752 1 99 LYS H 1 99 LYS HB2 4.120 . 4.530 3.172 2.571 3.877 . 0 0 "[ . 1 . 2]" 1
753 1 100 ALA H 1 133 VAL H 5.500 . 6.050 4.582 4.006 5.963 . 0 0 "[ . 1 . 2]" 1
754 1 100 ALA H 1 102 GLU H 5.420 . 5.960 4.995 4.845 5.122 . 0 0 "[ . 1 . 2]" 1
755 1 100 ALA H 1 133 VAL HB 5.200 . 5.720 5.017 4.413 5.759 0.039 11 0 "[ . 1 . 2]" 1
756 1 99 LYS HB3 1 100 ALA H 4.330 . 4.760 3.445 2.355 3.827 . 0 0 "[ . 1 . 2]" 1
757 1 100 ALA H 1 100 ALA MB 3.060 . 3.370 2.276 2.237 2.308 . 0 0 "[ . 1 . 2]" 1
758 1 101 GLY H 1 102 GLU H 3.420 . 3.760 2.872 2.705 3.045 . 0 0 "[ . 1 . 2]" 1
759 1 100 ALA H 1 101 GLY H 4.760 . 5.240 4.610 4.571 4.646 . 0 0 "[ . 1 . 2]" 1
760 1 101 GLY H 1 130 LEU H 5.390 . 5.930 3.969 3.653 4.431 . 0 0 "[ . 1 . 2]" 1
761 1 100 ALA HA 1 101 GLY H 2.950 . 3.250 2.406 2.293 2.574 . 0 0 "[ . 1 . 2]" 1
762 1 101 GLY H 1 130 LEU HG 5.120 . 5.630 5.366 4.274 5.771 0.141 17 0 "[ . 1 . 2]" 1
763 1 25 ILE HA 1 30 VAL H 3.520 . 3.870 2.601 1.596 4.085 0.215 5 0 "[ . 1 . 2]" 1
764 1 103 GLU H 1 104 PHE QD 4.560 . 5.020 4.165 3.830 4.534 . 0 0 "[ . 1 . 2]" 1
765 1 102 GLU HB3 1 103 GLU H 3.580 . 3.940 3.957 3.876 4.038 0.098 7 0 "[ . 1 . 2]" 1
766 1 104 PHE HA 1 105 THR H 3.120 . 3.430 2.435 2.381 2.494 . 0 0 "[ . 1 . 2]" 1
767 1 105 THR H 1 105 THR HB 3.260 . 3.590 2.688 2.583 2.774 . 0 0 "[ . 1 . 2]" 1
768 1 104 PHE HB2 1 105 THR H 3.850 . 4.240 2.397 2.319 2.534 . 0 0 "[ . 1 . 2]" 1
769 1 104 PHE HB3 1 105 THR H 3.270 . 3.600 3.685 3.653 3.736 0.136 17 0 "[ . 1 . 2]" 1
770 1 105 THR H 1 105 THR MG 4.120 . 4.530 3.922 3.872 3.963 . 0 0 "[ . 1 . 2]" 1
771 1 105 THR HA 1 106 ILE H 3.270 . 3.600 2.221 2.177 2.255 . 0 0 "[ . 1 . 2]" 1
772 1 106 ILE H 1 126 PHE HB3 4.770 . 5.250 4.824 4.610 4.963 . 0 0 "[ . 1 . 2]" 1
773 1 106 ILE H 1 127 ALA MB 4.690 . 5.160 4.666 4.415 4.953 . 0 0 "[ . 1 . 2]" 1
774 1 105 THR MG 1 106 ILE H 3.850 . 4.240 2.588 2.462 2.685 . 0 0 "[ . 1 . 2]" 1
775 1 106 ILE H 1 106 ILE MG 3.590 . 3.950 3.168 3.028 3.300 . 0 0 "[ . 1 . 2]" 1
776 1 106 ILE H 1 106 ILE MD 4.590 . 5.050 4.005 3.944 4.052 . 0 0 "[ . 1 . 2]" 1
777 1 107 ASP H 1 107 ASP HB3 3.750 . 4.130 3.040 2.861 3.681 . 0 0 "[ . 1 . 2]" 1
778 1 107 ASP H 1 107 ASP HB2 3.750 . 4.130 3.690 2.500 3.863 . 0 0 "[ . 1 . 2]" 1
779 1 107 ASP H 1 108 VAL MG1 4.790 . 5.270 4.124 3.888 4.343 . 0 0 "[ . 1 . 2]" 1
780 1 108 VAL H 1 124 ALA H 4.150 . 4.570 3.212 2.556 3.533 . 0 0 "[ . 1 . 2]" 1
781 1 99 LYS H 1 99 LYS HB3 4.120 . 4.530 2.877 2.422 3.787 . 0 0 "[ . 1 . 2]" 1
782 1 108 VAL H 1 124 ALA MB 4.930 . 5.420 3.581 3.189 3.864 . 0 0 "[ . 1 . 2]" 1
783 1 108 VAL HA 1 109 THR H 2.890 . 3.180 2.299 2.228 2.427 . 0 0 "[ . 1 . 2]" 1
784 1 90 GLY QA 1 109 THR H 3.360 . 3.700 2.936 1.957 3.710 0.010 13 0 "[ . 1 . 2]" 1
785 1 108 VAL HB 1 109 THR H 3.390 . 3.730 3.109 2.640 3.344 . 0 0 "[ . 1 . 2]" 1
786 1 108 VAL MG1 1 109 THR H 3.920 . 4.310 4.036 3.821 4.175 . 0 0 "[ . 1 . 2]" 1
787 1 110 PHE H 1 122 LYS H 4.720 . 5.190 4.478 3.614 4.942 . 0 0 "[ . 1 . 2]" 1
788 1 109 THR HA 1 110 PHE H 3.100 . 3.410 2.155 2.118 2.208 . 0 0 "[ . 1 . 2]" 1
789 1 109 THR HB 1 110 PHE H 4.290 . 4.720 4.210 3.594 4.356 . 0 0 "[ . 1 . 2]" 1
790 1 110 PHE H 1 110 PHE QB 3.640 . 4.000 2.383 2.287 2.457 . 0 0 "[ . 1 . 2]" 1
791 1 108 VAL HB 1 110 PHE H 5.500 . 6.050 5.506 5.138 5.827 . 0 0 "[ . 1 . 2]" 1
792 1 110 PHE H 1 122 LYS QB 5.500 . 6.050 5.171 4.544 5.605 . 0 0 "[ . 1 . 2]" 1
793 1 114 TYR H 1 114 TYR QD 4.900 . 5.390 4.144 2.060 4.352 . 0 0 "[ . 1 . 2]" 1
794 1 116 ALA HA 1 117 GLU H 3.450 . 3.800 2.413 2.157 3.157 . 0 0 "[ . 1 . 2]" 1
795 1 117 GLU H 1 117 GLU HB3 3.720 . 4.090 3.669 3.586 4.128 0.038 18 0 "[ . 1 . 2]" 1
796 1 116 ALA MB 1 117 GLU H 4.730 . 5.200 2.782 1.986 3.692 . 0 0 "[ . 1 . 2]" 1
797 1 118 ASN H 1 119 LEU H 3.510 . 3.860 2.608 2.452 2.841 . 0 0 "[ . 1 . 2]" 1
798 1 118 ASN H 1 119 LEU HA 5.500 . 6.050 5.256 5.096 5.408 . 0 0 "[ . 1 . 2]" 1
799 1 117 GLU QG 1 118 ASN H 4.700 . 5.170 3.955 3.782 4.512 . 0 0 "[ . 1 . 2]" 1
800 1 117 GLU HB3 1 118 ASN H 4.040 . 4.440 3.376 2.725 4.036 . 0 0 "[ . 1 . 2]" 1
801 1 116 ALA MB 1 118 ASN H 4.330 . 4.760 3.536 3.016 4.306 . 0 0 "[ . 1 . 2]" 1
802 1 120 LYS HA 1 121 GLY H 3.100 . 3.410 2.845 2.192 3.471 0.061 5 0 "[ . 1 . 2]" 1
803 1 110 PHE QB 1 121 GLY H 4.330 . 4.760 3.879 2.981 4.883 0.123 7 0 "[ . 1 . 2]" 1
804 1 121 GLY H 1 122 LYS QB 5.060 . 5.570 4.482 3.579 5.258 . 0 0 "[ . 1 . 2]" 1
805 1 121 GLY H 1 122 LYS H 3.820 . 4.200 2.618 1.994 3.428 . 0 0 "[ . 1 . 2]" 1
806 1 110 PHE QD 1 122 LYS H 4.880 . 5.370 3.875 3.100 4.973 . 0 0 "[ . 1 . 2]" 1
807 1 119 LEU HA 1 122 LYS H 4.160 . 4.580 4.012 3.142 4.834 0.254 7 0 "[ . 1 . 2]" 1
808 1 22 TRP H 1 23 SER QB 4.460 . 4.910 4.415 3.809 4.927 0.017 16 0 "[ . 1 . 2]" 1
809 1 120 LYS QD 1 122 LYS H 3.800 . 4.180 3.918 3.245 4.253 0.073 1 0 "[ . 1 . 2]" 1
810 1 122 LYS H 1 122 LYS HD3 4.120 . 4.530 4.099 1.907 4.591 0.061 8 0 "[ . 1 . 2]" 1
811 1 122 LYS H 1 122 LYS HD2 4.120 . 4.530 4.275 3.581 4.743 0.213 6 0 "[ . 1 . 2]" 1
812 1 122 LYS H 1 122 LYS HG3 4.050 . 4.460 2.733 2.156 3.934 . 0 0 "[ . 1 . 2]" 1
813 1 123 ALA H 1 124 ALA H 4.640 . 5.100 4.525 4.445 4.616 . 0 0 "[ . 1 . 2]" 1
814 1 70 PHE QE 1 125 LYS H 4.860 . 5.350 4.623 3.963 5.229 . 0 0 "[ . 1 . 2]" 1
815 1 125 LYS H 1 126 PHE QD 5.300 . 5.830 4.841 4.614 5.099 . 0 0 "[ . 1 . 2]" 1
816 1 124 ALA HA 1 125 LYS H 3.020 . 3.320 2.301 2.157 2.369 . 0 0 "[ . 1 . 2]" 1
817 1 65 VAL HB 1 125 LYS H 5.380 . 5.920 4.569 4.160 4.907 . 0 0 "[ . 1 . 2]" 1
818 1 125 LYS H 1 125 LYS QB 3.390 . 3.730 3.099 2.869 3.293 . 0 0 "[ . 1 . 2]" 1
819 1 124 ALA MB 1 125 LYS H 3.410 . 3.750 2.577 2.408 2.954 . 0 0 "[ . 1 . 2]" 1
820 1 125 LYS QB 1 126 PHE H 3.950 . 4.350 3.086 2.901 3.312 . 0 0 "[ . 1 . 2]" 1
821 1 126 PHE H 1 127 ALA H 4.670 . 5.140 3.881 3.724 4.104 . 0 0 "[ . 1 . 2]" 1
822 1 126 PHE QD 1 127 ALA H 4.890 . 5.380 4.349 4.120 4.558 . 0 0 "[ . 1 . 2]" 1
823 1 126 PHE HA 1 127 ALA H 3.160 . 3.480 2.197 2.124 2.233 . 0 0 "[ . 1 . 2]" 1
824 1 126 PHE HB2 1 127 ALA H 4.330 . 4.760 4.487 4.402 4.524 . 0 0 "[ . 1 . 2]" 1
825 1 133 VAL H 1 133 VAL HB 4.130 . 4.540 3.671 3.145 3.816 . 0 0 "[ . 1 . 2]" 1
826 1 128 ILE H 1 128 ILE MG 3.430 . 3.770 2.474 2.285 2.771 . 0 0 "[ . 1 . 2]" 1
827 1 128 ILE QG 1 129 ASN H 4.570 . 5.030 2.348 1.962 2.571 . 0 0 "[ . 1 . 2]" 1
828 1 128 ILE MG 1 129 ASN H 3.720 . 4.090 3.690 3.397 3.823 . 0 0 "[ . 1 . 2]" 1
829 1 103 GLU HG2 1 130 LEU H 5.600 . 6.030 6.150 5.834 6.276 0.246 17 0 "[ . 1 . 2]" 1
830 1 59 ILE HA 1 131 LYS H 3.880 . 4.270 2.184 1.917 2.583 . 0 0 "[ . 1 . 2]" 1
831 1 131 LYS H 1 131 LYS HB2 3.630 . 3.990 2.392 2.221 2.535 . 0 0 "[ . 1 . 2]" 1
832 1 131 LYS H 1 132 LYS H 3.420 . 3.760 3.052 2.749 3.370 . 0 0 "[ . 1 . 2]" 1
833 1 58 THR H 1 132 LYS H 3.750 . 4.130 3.964 3.646 4.167 0.037 17 0 "[ . 1 . 2]" 1
834 1 58 THR HB 1 132 LYS H 3.530 . 3.880 2.756 2.310 3.248 . 0 0 "[ . 1 . 2]" 1
835 1 131 LYS HB2 1 132 LYS H 3.420 . 3.760 3.348 2.107 3.717 . 0 0 "[ . 1 . 2]" 1
836 1 47 LYS H 1 134 GLU H 4.730 . 5.200 4.450 4.168 4.849 . 0 0 "[ . 1 . 2]" 1
837 1 134 GLU H 1 134 GLU QG 3.990 . 4.390 2.590 2.162 3.391 . 0 0 "[ . 1 . 2]" 1
838 1 134 GLU H 1 134 GLU QB 3.740 . 4.110 2.491 2.372 2.622 . 0 0 "[ . 1 . 2]" 1
839 1 44 TRP HB3 1 135 GLU H 5.500 . 6.050 4.894 4.157 5.903 . 0 0 "[ . 1 . 2]" 1
840 1 132 LYS QB 1 135 GLU H 4.450 . 4.900 3.813 2.231 5.136 0.236 19 0 "[ . 1 . 2]" 1
841 1 140 GLU HA 1 141 LEU H 2.700 . 2.970 2.438 2.157 2.668 . 0 0 "[ . 1 . 2]" 1
842 1 141 LEU H 1 141 LEU MD1 5.340 . 5.870 3.469 1.950 4.415 . 0 0 "[ . 1 . 2]" 1
843 1 141 LEU H 1 141 LEU MD2 5.340 . 5.870 3.922 2.512 4.391 . 0 0 "[ . 1 . 2]" 1
844 1 141 LEU HA 1 142 THR H 3.040 . 3.340 2.235 2.131 2.467 . 0 0 "[ . 1 . 2]" 1
845 1 3 ALA H 1 4 GLU H 4.530 . 4.980 2.650 2.397 2.853 . 0 0 "[ . 1 . 2]" 1
846 1 6 ALA MB 1 7 PHE H 4.830 . 5.310 3.178 2.519 3.458 . 0 0 "[ . 1 . 2]" 1
847 1 4 GLU H 1 4 GLU HB2 4.170 . 4.590 2.575 2.428 2.736 . 0 0 "[ . 1 . 2]" 1
848 1 14 MET QB 1 15 THR H 4.730 . 5.200 2.679 2.061 3.955 . 0 0 "[ . 1 . 2]" 1
849 1 16 ILE H 1 16 ILE HB 4.130 . 4.540 2.625 2.449 2.749 . 0 0 "[ . 1 . 2]" 1
850 1 16 ILE H 1 16 ILE QG 4.140 . 4.550 2.076 1.791 2.632 . 0 0 "[ . 1 . 2]" 1
851 1 2 ILE MG 1 16 ILE H 4.470 . 4.920 2.507 2.024 4.139 . 0 0 "[ . 1 . 2]" 1
852 1 17 ASN H 1 18 GLY H 4.870 . 5.360 4.221 2.466 4.626 . 0 0 "[ . 1 . 2]" 1
853 1 19 PRO HA 1 20 TRP H 2.700 . 2.970 2.211 2.100 2.497 . 0 0 "[ . 1 . 2]" 1
854 1 139 PRO HA 1 140 GLU H 3.070 . 3.380 2.366 2.108 2.993 . 0 0 "[ . 1 . 2]" 1
855 1 122 LYS H 1 123 ALA H 4.560 . 5.020 4.568 4.434 4.659 . 0 0 "[ . 1 . 2]" 1
856 1 122 LYS QB 1 123 ALA H 3.930 . 4.320 2.533 2.159 3.113 . 0 0 "[ . 1 . 2]" 1
857 1 26 ASP HB3 1 27 THR H 4.760 . 5.240 3.077 1.842 4.298 . 0 0 "[ . 1 . 2]" 1
858 1 26 ASP HB2 1 27 THR H 4.760 . 5.240 3.712 1.876 4.411 . 0 0 "[ . 1 . 2]" 1
859 1 27 THR H 1 27 THR MG 4.040 . 4.440 3.495 1.883 4.130 . 0 0 "[ . 1 . 2]" 1
860 1 28 SER H 1 30 VAL H 5.230 . 5.750 4.974 3.963 5.952 0.202 6 0 "[ . 1 . 2]" 1
861 1 44 TRP H 1 45 LYS H 4.600 . 5.060 4.469 4.433 4.515 . 0 0 "[ . 1 . 2]" 1
862 1 124 ALA H 1 124 ALA MB 3.390 . 3.730 2.396 2.352 2.519 . 0 0 "[ . 1 . 2]" 1
863 1 138 LEU H 1 138 LEU HG 2.890 . 3.180 2.893 2.055 3.204 0.024 8 0 "[ . 1 . 2]" 1
864 1 137 GLU QB 1 138 LEU H 3.940 . 4.330 3.747 3.190 4.048 . 0 0 "[ . 1 . 2]" 1
865 1 137 GLU QG 1 138 LEU H 4.070 . 4.480 4.047 3.261 4.550 0.070 17 0 "[ . 1 . 2]" 1
866 1 22 TRP H 1 23 SER H 3.150 . 3.470 2.955 2.307 3.605 0.135 14 0 "[ . 1 . 2]" 1
867 1 50 ALA MB 1 98 HIS H 3.860 . 4.250 2.632 2.241 3.168 . 0 0 "[ . 1 . 2]" 1
868 1 139 PRO QG 1 140 GLU H 4.250 . 4.680 4.210 3.059 4.732 0.052 4 0 "[ . 1 . 2]" 1
869 1 106 ILE H 1 125 LYS QE 5.500 . 6.050 5.418 4.878 6.113 0.063 5 0 "[ . 1 . 2]" 1
870 1 134 GLU QB 1 135 GLU H 3.610 . 3.970 2.008 1.743 2.742 . 0 0 "[ . 1 . 2]" 1
871 1 59 ILE HA 1 132 LYS H 4.670 . 5.140 3.835 3.545 4.122 . 0 0 "[ . 1 . 2]" 1
872 1 131 LYS QE 1 132 LYS H 5.230 . 5.750 5.047 4.417 5.878 0.128 18 0 "[ . 1 . 2]" 1
873 1 30 VAL H 1 30 VAL HB 3.510 . 3.860 2.699 2.503 3.599 . 0 0 "[ . 1 . 2]" 1
874 1 119 LEU H 1 119 LEU MD2 3.900 . 4.290 2.247 1.831 2.595 . 0 0 "[ . 1 . 2]" 1
875 1 25 ILE H 1 30 VAL H 2.960 . 3.260 2.604 1.914 3.433 0.173 1 0 "[ . 1 . 2]" 1
876 1 106 ILE MD 1 126 PHE H 5.070 . 5.580 4.549 4.172 4.795 . 0 0 "[ . 1 . 2]" 1
877 1 44 TRP H 1 44 TRP HD1 3.730 . 4.100 3.203 2.681 3.752 . 0 0 "[ . 1 . 2]" 1
878 1 108 VAL H 1 108 VAL HB 4.180 . 4.600 3.816 3.760 3.868 . 0 0 "[ . 1 . 2]" 1
879 1 78 PHE H 1 131 LYS HB3 5.350 . 5.890 5.227 4.422 5.815 . 0 0 "[ . 1 . 2]" 1
880 1 62 THR HA 1 74 LYS H 5.500 . 6.050 5.794 5.270 6.085 0.035 16 0 "[ . 1 . 2]" 1
881 1 94 GLY H 1 96 LYS H 3.590 . 3.950 3.008 2.559 4.001 0.051 17 0 "[ . 1 . 2]" 1
882 1 21 ALA HA 1 23 SER H 4.690 . 5.160 3.931 3.061 5.099 . 0 0 "[ . 1 . 2]" 1
883 1 126 PHE H 1 126 PHE QD 4.400 . 4.840 3.499 3.186 3.712 . 0 0 "[ . 1 . 2]" 1
884 1 136 ARG H 1 136 ARG HB3 3.930 . 4.320 3.650 2.700 4.122 . 0 0 "[ . 1 . 2]" 1
885 1 86 ARG H 1 86 ARG QG 4.720 . 5.190 3.046 1.917 4.090 . 0 0 "[ . 1 . 2]" 1
886 1 15 THR MG 1 86 ARG HE 5.210 . 5.730 3.338 1.944 5.810 0.080 18 0 "[ . 1 . 2]" 1
887 1 2 ILE QG 1 16 ILE H 4.510 . 4.960 3.927 2.672 4.984 0.024 2 0 "[ . 1 . 2]" 1
888 1 2 ILE QG 1 16 ILE QG 3.020 . 3.320 2.734 1.779 3.659 0.339 12 0 "[ . 1 . 2]" 1
889 1 4 GLU H 1 4 GLU QB 3.550 . 3.900 2.417 2.156 2.664 . 0 0 "[ . 1 . 2]" 1
890 1 4 GLU QB 1 5 ALA H 3.960 . 4.360 2.659 2.432 2.838 . 0 0 "[ . 1 . 2]" 1
891 1 8 ASN QB 1 9 LYS H 4.330 . 4.760 3.528 2.821 3.928 . 0 0 "[ . 1 . 2]" 1
892 1 9 LYS H 1 9 LYS QB 3.660 . 4.030 2.367 2.175 2.620 . 0 0 "[ . 1 . 2]" 1
893 1 11 GLU HA 1 11 GLU QG 3.620 . 3.980 2.916 2.407 3.526 . 0 0 "[ . 1 . 2]" 1
894 1 11 GLU QB 1 12 THR H 3.530 . 3.880 3.298 2.385 3.666 . 0 0 "[ . 1 . 2]" 1
895 1 11 GLU QG 1 12 THR H 5.230 . 5.750 4.213 2.335 4.940 . 0 0 "[ . 1 . 2]" 1
896 1 16 ILE MG 1 87 MET QG 5.140 . 5.650 3.836 2.284 5.091 . 0 0 "[ . 1 . 2]" 1
897 1 16 ILE QG 1 87 MET QG 5.330 . 5.860 5.191 3.734 5.889 0.029 1 0 "[ . 1 . 2]" 1
898 1 19 PRO QB 1 110 PHE QD 5.340 . 5.870 2.482 1.681 3.578 . 0 0 "[ . 1 . 2]" 1
899 1 19 PRO QB 1 110 PHE QE 4.500 . 4.950 3.851 2.850 4.535 . 0 0 "[ . 1 . 2]" 1
900 1 19 PRO QB 1 110 PHE HZ 5.340 . 5.870 5.618 4.920 6.037 0.167 18 0 "[ . 1 . 2]" 1
901 1 19 PRO QB 1 111 PRO QD 4.550 . 5.010 2.717 1.684 4.043 . 0 0 "[ . 1 . 2]" 1
902 1 19 PRO QB 1 114 TYR H 5.340 . 5.870 4.310 3.408 5.985 0.115 9 0 "[ . 1 . 2]" 1
903 1 19 PRO QB 1 114 TYR QD 4.300 . 4.730 2.698 1.919 3.511 . 0 0 "[ . 1 . 2]" 1
904 1 19 PRO QG 1 111 PRO QB 4.730 . 5.200 3.787 2.534 4.313 . 0 0 "[ . 1 . 2]" 1
905 1 19 PRO QG 1 111 PRO QG 3.340 . 3.670 2.380 1.929 2.873 . 0 0 "[ . 1 . 2]" 1
906 1 22 TRP H 1 22 TRP QB 3.420 . 3.760 2.544 2.268 3.373 . 0 0 "[ . 1 . 2]" 1
907 1 24 ASN QB 1 25 ILE HB 4.260 . 4.690 4.217 3.632 4.887 0.197 5 0 "[ . 1 . 2]" 1
908 1 24 ASN QB 1 25 ILE MG 4.290 . 4.720 3.690 2.884 4.810 0.090 14 0 "[ . 1 . 2]" 1
909 1 27 THR H 1 28 SER QB 5.340 . 5.870 4.808 3.514 5.613 . 0 0 "[ . 1 . 2]" 1
910 1 28 SER H 1 28 SER QB 3.450 . 3.800 2.688 2.248 3.112 . 0 0 "[ . 1 . 2]" 1
911 1 28 SER HA 1 28 SER QB 2.630 . 2.890 2.369 2.202 2.430 . 0 0 "[ . 1 . 2]" 1
912 1 28 SER QB 1 29 LYS H 4.470 . 4.920 3.061 1.928 3.853 . 0 0 "[ . 1 . 2]" 1
913 1 29 LYS H 1 29 LYS QB 3.630 . 3.990 2.681 2.299 3.373 . 0 0 "[ . 1 . 2]" 1
914 1 29 LYS QB 1 29 LYS QE 4.030 . 4.430 3.042 1.999 3.920 . 0 0 "[ . 1 . 2]" 1
915 1 40 SER HA 1 40 SER QB 2.570 . 2.830 2.344 2.203 2.407 . 0 0 "[ . 1 . 2]" 1
916 1 41 GLN QB 1 137 GLU QG 2.840 . 3.120 2.727 2.041 3.326 0.206 8 0 "[ . 1 . 2]" 1
917 1 44 TRP H 1 135 GLU QB 4.100 . 4.460 3.446 1.907 4.724 0.264 10 0 "[ . 1 . 2]" 1
918 1 44 TRP HB3 1 135 GLU QB 4.650 . 5.120 3.375 1.865 4.904 . 0 0 "[ . 1 . 2]" 1
919 1 45 LYS H 1 45 LYS QB 3.490 . 3.840 2.677 2.339 3.301 . 0 0 "[ . 1 . 2]" 1
920 1 45 LYS H 1 45 LYS QG 3.700 . 4.070 3.111 2.260 4.013 . 0 0 "[ . 1 . 2]" 1
921 1 45 LYS H 1 135 GLU QB 5.300 . 5.830 4.603 3.231 5.495 . 0 0 "[ . 1 . 2]" 1
922 1 45 LYS HA 1 45 LYS QG 3.540 . 3.890 2.681 2.408 3.564 . 0 0 "[ . 1 . 2]" 1
923 1 45 LYS HA 1 46 GLU QB 4.810 . 5.290 4.187 4.073 4.460 . 0 0 "[ . 1 . 2]" 1
924 1 45 LYS QB 1 46 GLU H 3.120 . 3.430 2.552 2.386 2.767 . 0 0 "[ . 1 . 2]" 1
925 1 45 LYS QG 1 46 GLU H 4.130 . 4.540 3.881 3.392 4.356 . 0 0 "[ . 1 . 2]" 1
926 1 46 GLU H 1 46 GLU QB 2.800 . 3.080 2.274 2.212 2.697 . 0 0 "[ . 1 . 2]" 1
927 1 46 GLU H 1 46 GLU QG 4.570 . 5.030 3.959 3.002 4.034 . 0 0 "[ . 1 . 2]" 1
928 1 46 GLU HA 1 46 GLU QG 3.600 . 3.960 2.600 2.486 3.564 . 0 0 "[ . 1 . 2]" 1
929 1 46 GLU QB 1 47 LYS H 4.080 . 4.490 3.779 2.875 3.924 . 0 0 "[ . 1 . 2]" 1
930 1 46 GLU QG 1 47 LYS H 3.740 . 4.110 3.000 2.583 4.165 0.055 17 0 "[ . 1 . 2]" 1
931 1 46 GLU QG 1 47 LYS HA 4.590 . 5.050 4.021 3.579 4.716 . 0 0 "[ . 1 . 2]" 1
932 1 46 GLU QG 1 134 GLU QG 2.600 . 2.860 2.033 1.748 3.228 0.368 17 0 "[ . 1 . 2]" 1
933 1 47 LYS H 1 47 LYS QB 3.350 . 3.690 2.464 2.246 2.692 . 0 0 "[ . 1 . 2]" 1
934 1 47 LYS HA 1 47 LYS QD 4.180 . 4.600 2.790 1.969 4.279 . 0 0 "[ . 1 . 2]" 1
935 1 47 LYS QB 1 47 LYS QD 3.240 . 3.560 2.464 2.163 2.918 . 0 0 "[ . 1 . 2]" 1
936 1 47 LYS QB 1 48 ASP H 3.790 . 4.170 3.091 2.672 3.738 . 0 0 "[ . 1 . 2]" 1
937 1 47 LYS QB 1 48 ASP HA 4.420 . 4.860 4.295 3.864 4.953 0.093 20 0 "[ . 1 . 2]" 1
938 1 47 LYS QB 1 49 GLY H 5.340 . 5.870 5.548 4.828 5.929 0.059 6 0 "[ . 1 . 2]" 1
939 1 47 LYS QB 1 133 VAL HB 3.200 . 3.520 1.851 1.547 2.863 . 0 0 "[ . 1 . 2]" 1
940 1 47 LYS QB 1 133 VAL QG 3.700 . 4.070 2.594 2.189 3.585 . 0 0 "[ . 1 . 2]" 1
941 1 47 LYS QG 1 133 VAL QG 4.220 . 4.640 3.469 2.331 4.130 . 0 0 "[ . 1 . 2]" 1
942 1 48 ASP H 1 48 ASP QB 3.630 . 3.990 2.692 2.295 3.203 . 0 0 "[ . 1 . 2]" 1
943 1 48 ASP QB 1 49 GLY H 3.730 . 4.100 3.052 2.014 3.813 . 0 0 "[ . 1 . 2]" 1
944 1 49 GLY QA 1 99 LYS QE 4.780 . 5.260 3.398 1.954 4.948 . 0 0 "[ . 1 . 2]" 1
945 1 50 ALA HA 1 99 LYS QB 4.100 . 4.510 3.317 2.391 4.208 . 0 0 "[ . 1 . 2]" 1
946 1 50 ALA HA 1 99 LYS QE 4.830 . 5.310 4.425 3.451 5.405 0.095 14 0 "[ . 1 . 2]" 1
947 1 50 ALA MB 1 99 LYS QB 4.750 . 5.230 4.022 3.040 4.824 . 0 0 "[ . 1 . 2]" 1
948 1 51 VAL MG1 1 55 ASP QB 3.680 . 4.050 2.459 2.018 3.001 . 0 0 "[ . 1 . 2]" 1
949 1 52 GLU H 1 55 ASP QB 4.100 . 4.510 1.728 1.441 1.996 . 0 0 "[ . 1 . 2]" 1
950 1 52 GLU HA 1 96 LYS QG 4.940 . 5.430 4.583 2.888 5.508 0.078 18 0 "[ . 1 . 2]" 1
951 1 52 GLU HB3 1 54 GLU QG 3.740 . 4.110 3.313 2.824 4.312 0.202 20 0 "[ . 1 . 2]" 1
952 1 52 GLU HB2 1 55 ASP QB 4.930 . 5.420 1.885 1.600 2.074 . 0 0 "[ . 1 . 2]" 1
953 1 53 ALA H 1 96 LYS QG 5.340 . 5.870 4.806 3.775 5.808 . 0 0 "[ . 1 . 2]" 1
954 1 53 ALA HA 1 82 MET QB 4.300 . 4.730 3.591 2.158 4.929 0.199 16 0 "[ . 1 . 2]" 1
955 1 53 ALA HA 1 96 LYS QG 4.330 . 4.760 3.266 2.174 4.797 0.037 9 0 "[ . 1 . 2]" 1
956 1 53 ALA MB 1 54 GLU QG 3.920 . 4.310 3.781 2.317 4.327 0.017 14 0 "[ . 1 . 2]" 1
957 1 54 GLU H 1 54 GLU QG 3.380 . 3.720 2.113 1.820 2.668 . 0 0 "[ . 1 . 2]" 1
958 1 54 GLU H 1 55 ASP QB 4.460 . 4.910 3.729 3.484 4.051 . 0 0 "[ . 1 . 2]" 1
959 1 54 GLU QG 1 55 ASP HA 5.340 . 5.870 3.514 3.084 5.733 . 0 0 "[ . 1 . 2]" 1
960 1 55 ASP H 1 55 ASP QB 3.160 . 3.480 2.291 2.164 2.366 . 0 0 "[ . 1 . 2]" 1
961 1 55 ASP QB 1 56 ARG H 4.140 . 4.550 3.369 3.110 3.551 . 0 0 "[ . 1 . 2]" 1
962 1 56 ARG HA 1 82 MET QB 5.240 . 5.760 4.399 3.713 5.646 . 0 0 "[ . 1 . 2]" 1
963 1 57 VAL HA 1 133 VAL QG 4.280 . 4.710 3.865 2.528 4.512 . 0 0 "[ . 1 . 2]" 1
964 1 57 VAL HB 1 133 VAL QG 4.580 . 5.040 3.258 2.207 3.821 . 0 0 "[ . 1 . 2]" 1
965 1 58 THR H 1 130 LEU QD 4.540 . 4.990 4.065 3.461 4.984 . 0 0 "[ . 1 . 2]" 1
966 1 60 ASP HA 1 76 SER QB 5.290 . 5.820 4.628 4.122 4.932 . 0 0 "[ . 1 . 2]" 1
967 1 60 ASP HB2 1 76 SER QB 4.790 . 5.270 4.557 3.650 4.964 . 0 0 "[ . 1 . 2]" 1
968 1 64 SER QB 1 65 VAL H 3.490 . 3.840 2.437 2.264 2.656 . 0 0 "[ . 1 . 2]" 1
969 1 64 SER QB 1 65 VAL QG 4.880 . 5.370 3.945 3.773 4.120 . 0 0 "[ . 1 . 2]" 1
970 1 64 SER QB 1 67 GLY H 3.430 . 3.770 2.954 2.727 3.133 . 0 0 "[ . 1 . 2]" 1
971 1 64 SER QB 1 67 GLY HA3 3.800 . 4.160 4.104 3.970 4.217 0.057 14 0 "[ . 1 . 2]" 1
972 1 64 SER QB 1 68 GLU H 3.440 . 3.780 2.899 2.453 3.278 . 0 0 "[ . 1 . 2]" 1
973 1 64 SER QB 1 68 GLU QB 4.750 . 5.230 4.263 4.165 4.435 . 0 0 "[ . 1 . 2]" 1
974 1 64 SER QB 1 68 GLU HG3 5.340 . 5.870 5.873 5.538 6.052 0.182 9 0 "[ . 1 . 2]" 1
975 1 64 SER QB 1 69 GLU HA 4.150 . 4.570 3.314 2.999 3.779 . 0 0 "[ . 1 . 2]" 1
976 1 64 SER QB 1 69 GLU QG 4.790 . 5.270 3.687 2.609 4.770 . 0 0 "[ . 1 . 2]" 1
977 1 64 SER QB 1 70 PHE QD 4.710 . 5.180 4.268 4.036 4.475 . 0 0 "[ . 1 . 2]" 1
978 1 65 VAL H 1 65 VAL QG 3.830 . 4.210 2.143 2.032 2.272 . 0 0 "[ . 1 . 2]" 1
979 1 65 VAL HB 1 66 ASP QB 5.340 . 5.870 5.290 5.129 5.385 . 0 0 "[ . 1 . 2]" 1
980 1 65 VAL QG 1 66 ASP H 4.280 . 4.710 3.043 2.762 3.182 . 0 0 "[ . 1 . 2]" 1
981 1 65 VAL QG 1 66 ASP QB 3.850 . 4.240 2.894 2.696 3.013 . 0 0 "[ . 1 . 2]" 1
982 1 65 VAL QG 1 68 GLU H 4.560 . 5.020 3.435 3.229 3.846 . 0 0 "[ . 1 . 2]" 1
983 1 65 VAL QG 1 68 GLU HA 4.750 . 5.230 4.630 4.314 5.207 . 0 0 "[ . 1 . 2]" 1
984 1 65 VAL QG 1 68 GLU QB 3.940 . 4.330 2.562 2.161 3.639 . 0 0 "[ . 1 . 2]" 1
985 1 65 VAL QG 1 70 PHE HB2 3.740 . 4.110 3.386 3.180 3.554 . 0 0 "[ . 1 . 2]" 1
986 1 65 VAL QG 1 70 PHE QD 3.780 . 4.160 2.579 2.122 2.792 . 0 0 "[ . 1 . 2]" 1
987 1 65 VAL QG 1 70 PHE QE 4.120 . 4.530 3.477 3.190 3.631 . 0 0 "[ . 1 . 2]" 1
988 1 65 VAL QG 1 118 ASN QB 5.210 . 5.730 4.693 3.621 5.708 . 0 0 "[ . 1 . 2]" 1
989 1 65 VAL QG 1 119 LEU HA 4.780 . 5.260 3.814 3.266 4.201 . 0 0 "[ . 1 . 2]" 1
990 1 65 VAL QG 1 119 LEU MD1 4.010 . 4.410 1.800 1.512 2.378 . 0 0 "[ . 1 . 2]" 1
991 1 65 VAL QG 1 122 LYS QD 4.120 . 4.530 2.693 2.027 3.136 . 0 0 "[ . 1 . 2]" 1
992 1 65 VAL QG 1 123 ALA H 4.660 . 5.130 3.824 3.300 4.322 . 0 0 "[ . 1 . 2]" 1
993 1 65 VAL QG 1 124 ALA HA 3.540 . 3.890 2.512 2.187 2.758 . 0 0 "[ . 1 . 2]" 1
994 1 65 VAL QG 1 124 ALA MB 3.270 . 3.600 2.022 1.872 2.169 . 0 0 "[ . 1 . 2]" 1
995 1 65 VAL QG 1 125 LYS H 4.520 . 4.970 4.222 3.977 4.514 . 0 0 "[ . 1 . 2]" 1
996 1 67 GLY H 1 68 GLU QB 4.840 . 5.320 4.483 4.321 4.791 . 0 0 "[ . 1 . 2]" 1
997 1 68 GLU H 1 68 GLU QB 2.920 . 3.210 2.293 2.229 2.437 . 0 0 "[ . 1 . 2]" 1
998 1 68 GLU QB 1 69 GLU H 4.230 . 4.650 3.802 3.667 3.876 . 0 0 "[ . 1 . 2]" 1
999 1 70 PHE HA 1 71 GLU QB 4.420 . 4.860 4.390 3.993 4.583 . 0 0 "[ . 1 . 2]" 1
1000 1 70 PHE QD 1 73 GLY QA 4.520 . 4.970 2.652 2.147 3.096 . 0 0 "[ . 1 . 2]" 1
1001 1 70 PHE QE 1 73 GLY QA 4.390 . 4.830 2.641 1.922 3.173 . 0 0 "[ . 1 . 2]" 1
1002 1 71 GLU H 1 71 GLU QB 3.130 . 3.440 2.486 2.341 2.696 . 0 0 "[ . 1 . 2]" 1
1003 1 71 GLU H 1 71 GLU QG 4.440 . 4.880 2.612 2.033 4.153 . 0 0 "[ . 1 . 2]" 1
1004 1 71 GLU HA 1 71 GLU QG 3.490 . 3.840 3.043 2.454 3.570 . 0 0 "[ . 1 . 2]" 1
1005 1 71 GLU QB 1 71 GLU QG 2.370 . 2.610 2.036 1.984 2.113 . 0 0 "[ . 1 . 2]" 1
1006 1 71 GLU QG 1 72 GLY H 4.630 . 5.090 4.242 2.562 4.758 . 0 0 "[ . 1 . 2]" 1
1007 1 72 GLY QA 1 73 GLY QA 4.190 . 4.610 3.766 3.630 3.852 . 0 0 "[ . 1 . 2]" 1
1008 1 75 ALA HA 1 76 SER QB 4.660 . 5.130 4.395 4.042 4.510 . 0 0 "[ . 1 . 2]" 1
1009 1 76 SER H 1 76 SER QB 3.270 . 3.600 2.725 2.339 2.879 . 0 0 "[ . 1 . 2]" 1
1010 1 76 SER QB 1 77 ASP H 3.670 . 4.040 2.966 2.705 3.433 . 0 0 "[ . 1 . 2]" 1
1011 1 77 ASP HA 1 136 ARG QG 4.150 . 4.570 3.777 3.030 4.749 0.179 14 0 "[ . 1 . 2]" 1
1012 1 77 ASP QB 1 136 ARG QG 3.750 . 4.130 2.797 1.882 4.016 . 0 0 "[ . 1 . 2]" 1
1013 1 78 PHE HB3 1 80 LEU QB 5.340 . 5.870 4.344 4.077 4.545 . 0 0 "[ . 1 . 2]" 1
1014 1 80 LEU H 1 80 LEU QD 4.580 . 5.040 3.941 3.830 4.026 . 0 0 "[ . 1 . 2]" 1
1015 1 80 LEU HA 1 80 LEU QD 4.050 . 4.460 2.173 2.090 2.247 . 0 0 "[ . 1 . 2]" 1
1016 1 80 LEU QB 1 91 PHE QE 4.580 . 5.040 4.708 3.771 5.014 . 0 0 "[ . 1 . 2]" 1
1017 1 80 LEU QB 1 91 PHE HZ 5.100 . 5.590 5.583 5.298 5.727 0.137 8 0 "[ . 1 . 2]" 1
1018 1 80 LEU QD 1 81 ALA H 4.430 . 4.870 2.651 2.228 3.097 . 0 0 "[ . 1 . 2]" 1
1019 1 80 LEU QD 1 82 MET HA 4.100 . 4.510 3.810 2.770 4.257 . 0 0 "[ . 1 . 2]" 1
1020 1 80 LEU QD 1 83 GLY H 5.440 . 5.980 5.112 4.106 5.727 . 0 0 "[ . 1 . 2]" 1
1021 1 80 LEU QD 1 84 GLN QB 4.410 . 4.850 3.614 3.039 4.049 . 0 0 "[ . 1 . 2]" 1
1022 1 80 LEU QD 1 91 PHE QE 4.000 . 4.400 3.097 1.944 3.446 . 0 0 "[ . 1 . 2]" 1
1023 1 81 ALA H 1 84 GLN QB 5.280 . 5.810 4.650 4.008 5.269 . 0 0 "[ . 1 . 2]" 1
1024 1 82 MET H 1 82 MET QB 3.640 . 4.000 2.398 2.136 2.658 . 0 0 "[ . 1 . 2]" 1
1025 1 82 MET QB 1 83 GLY H 4.050 . 4.460 2.626 2.229 3.435 . 0 0 "[ . 1 . 2]" 1
1026 1 82 MET QG 1 96 LYS QG 3.910 . 4.300 3.028 2.231 4.341 0.041 6 0 "[ . 1 . 2]" 1
1027 1 83 GLY QA 1 84 GLN HA 4.860 . 5.350 4.094 4.067 4.124 . 0 0 "[ . 1 . 2]" 1
1028 1 83 GLY QA 1 84 GLN HG3 5.250 . 5.710 5.719 5.473 5.866 0.156 13 0 "[ . 1 . 2]" 1
1029 1 84 GLN H 1 84 GLN QB 3.630 . 3.990 2.475 2.377 2.567 . 0 0 "[ . 1 . 2]" 1
1030 1 87 MET QG 1 91 PHE QB 5.340 . 5.870 4.040 3.116 5.345 . 0 0 "[ . 1 . 2]" 1
1031 1 87 MET QG 1 91 PHE QD 4.300 . 4.730 3.321 2.568 4.503 . 0 0 "[ . 1 . 2]" 1
1032 1 87 MET QG 1 91 PHE QE 4.950 . 5.450 4.280 3.368 5.377 . 0 0 "[ . 1 . 2]" 1
1033 1 88 ILE QG 1 108 VAL MG1 4.140 . 4.550 3.796 3.336 4.138 . 0 0 "[ . 1 . 2]" 1
1034 1 89 PRO QD 1 111 PRO QB 4.050 . 4.460 3.621 2.362 4.486 0.026 11 0 "[ . 1 . 2]" 1
1035 1 89 PRO QD 1 111 PRO QG 4.090 . 4.500 2.895 2.208 3.917 . 0 0 "[ . 1 . 2]" 1
1036 1 89 PRO QD 1 111 PRO QD 3.540 . 3.890 2.341 1.820 3.174 . 0 0 "[ . 1 . 2]" 1
1037 1 90 GLY QA 1 93 ASP QB 4.660 . 5.130 4.337 2.554 5.214 0.084 14 0 "[ . 1 . 2]" 1
1038 1 92 GLU H 1 93 ASP QB 5.280 . 5.810 4.483 3.731 4.922 . 0 0 "[ . 1 . 2]" 1
1039 1 92 GLU QB 1 93 ASP H 4.410 . 4.850 3.240 2.576 3.754 . 0 0 "[ . 1 . 2]" 1
1040 1 93 ASP H 1 93 ASP QB 3.190 . 3.510 2.707 2.432 2.817 . 0 0 "[ . 1 . 2]" 1
1041 1 93 ASP QB 1 94 GLY H 4.280 . 4.710 3.162 1.868 4.069 . 0 0 "[ . 1 . 2]" 1
1042 1 93 ASP QB 1 108 VAL MG1 5.120 . 5.630 5.001 4.196 5.705 0.075 4 0 "[ . 1 . 2]" 1
1043 1 94 GLY QA 1 104 PHE QE 4.470 . 4.920 4.030 3.383 4.435 . 0 0 "[ . 1 . 2]" 1
1044 1 94 GLY QA 1 106 ILE HB 4.590 . 5.050 3.112 2.728 3.586 . 0 0 "[ . 1 . 2]" 1
1045 1 94 GLY QA 1 106 ILE MG 3.760 . 4.140 2.049 1.916 2.201 . 0 0 "[ . 1 . 2]" 1
1046 1 94 GLY QA 1 106 ILE MD 4.400 . 4.840 2.684 2.215 3.559 . 0 0 "[ . 1 . 2]" 1
1047 1 96 LYS H 1 96 LYS QG 4.210 . 4.630 2.460 2.019 3.940 . 0 0 "[ . 1 . 2]" 1
1048 1 96 LYS QE 1 96 LYS QG 3.310 . 3.640 2.566 2.333 2.925 . 0 0 "[ . 1 . 2]" 1
1049 1 96 LYS QG 1 97 GLY H 4.720 . 5.190 3.966 2.032 4.541 . 0 0 "[ . 1 . 2]" 1
1050 1 98 HIS H 1 98 HIS QB 3.520 . 3.870 3.285 3.245 3.352 . 0 0 "[ . 1 . 2]" 1
1051 1 98 HIS QB 1 99 LYS H 3.700 . 4.070 2.136 1.893 2.348 . 0 0 "[ . 1 . 2]" 1
1052 1 98 HIS QB 1 130 LEU QD 4.950 . 5.450 4.465 4.123 4.740 . 0 0 "[ . 1 . 2]" 1
1053 1 98 HIS HD1 1 130 LEU QD 4.990 . 5.490 2.626 2.247 2.929 . 0 0 "[ . 1 . 2]" 1
1054 1 99 LYS H 1 99 LYS QB 3.510 . 3.860 2.583 2.257 3.001 . 0 0 "[ . 1 . 2]" 1
1055 1 99 LYS H 1 99 LYS QG 4.050 . 4.460 2.978 1.909 4.132 . 0 0 "[ . 1 . 2]" 1
1056 1 99 LYS H 1 102 GLU QG 3.660 . 4.030 3.811 3.459 3.959 . 0 0 "[ . 1 . 2]" 1
1057 1 99 LYS H 1 130 LEU QD 4.110 . 4.520 4.270 3.927 4.519 . 0 0 "[ . 1 . 2]" 1
1058 1 99 LYS QB 1 99 LYS QE 3.960 . 4.360 2.320 1.909 3.612 . 0 0 "[ . 1 . 2]" 1
1059 1 99 LYS QB 1 100 ALA H 3.710 . 4.080 2.693 2.197 3.377 . 0 0 "[ . 1 . 2]" 1
1060 1 99 LYS QB 1 100 ALA HA 4.600 . 5.060 4.615 4.335 4.842 . 0 0 "[ . 1 . 2]" 1
1061 1 99 LYS QB 1 102 GLU QG 5.180 . 5.700 4.295 3.509 5.162 . 0 0 "[ . 1 . 2]" 1
1062 1 99 LYS QB 1 133 VAL QG 5.200 . 5.720 3.656 2.522 4.548 . 0 0 "[ . 1 . 2]" 1
1063 1 100 ALA H 1 130 LEU QD 4.390 . 4.830 3.262 3.035 3.502 . 0 0 "[ . 1 . 2]" 1
1064 1 100 ALA H 1 133 VAL QG 3.590 . 3.950 2.343 1.781 3.021 . 0 0 "[ . 1 . 2]" 1
1065 1 100 ALA HA 1 102 GLU QG 4.220 . 4.640 3.462 3.213 3.731 . 0 0 "[ . 1 . 2]" 1
1066 1 100 ALA HA 1 130 LEU QD 3.910 . 4.300 2.131 1.801 2.373 . 0 0 "[ . 1 . 2]" 1
1067 1 100 ALA HA 1 133 VAL QG 3.650 . 4.010 3.585 3.211 3.873 . 0 0 "[ . 1 . 2]" 1
1068 1 100 ALA MB 1 102 GLU QG 5.340 . 5.870 4.663 4.492 4.823 . 0 0 "[ . 1 . 2]" 1
1069 1 100 ALA MB 1 133 VAL QG 3.470 . 3.820 1.777 1.595 1.982 . 0 0 "[ . 1 . 2]" 1
1070 1 101 GLY H 1 102 GLU QG 4.430 . 4.870 4.023 3.794 4.144 . 0 0 "[ . 1 . 2]" 1
1071 1 101 GLY H 1 130 LEU QB 5.040 . 5.540 2.665 2.117 2.881 . 0 0 "[ . 1 . 2]" 1
1072 1 101 GLY H 1 130 LEU QD 4.500 . 4.950 3.572 2.812 4.127 . 0 0 "[ . 1 . 2]" 1
1073 1 102 GLU H 1 102 GLU QG 3.920 . 4.310 1.987 1.877 2.100 . 0 0 "[ . 1 . 2]" 1
1074 1 102 GLU H 1 130 LEU QB 5.270 . 5.800 3.537 3.177 3.801 . 0 0 "[ . 1 . 2]" 1
1075 1 102 GLU H 1 130 LEU QD 4.180 . 4.600 4.426 3.966 4.661 0.061 1 0 "[ . 1 . 2]" 1
1076 1 102 GLU HA 1 102 GLU QG 3.540 . 3.890 3.381 3.371 3.394 . 0 0 "[ . 1 . 2]" 1
1077 1 102 GLU QG 1 103 GLU H 4.290 . 4.720 3.833 3.611 3.992 . 0 0 "[ . 1 . 2]" 1
1078 1 102 GLU QG 1 103 GLU HA 5.230 . 5.750 4.092 3.808 4.314 . 0 0 "[ . 1 . 2]" 1
1079 1 102 GLU QG 1 104 PHE QD 3.450 . 3.800 2.342 2.159 2.572 . 0 0 "[ . 1 . 2]" 1
1080 1 102 GLU QG 1 130 LEU QB 4.040 . 4.440 3.002 2.801 3.287 . 0 0 "[ . 1 . 2]" 1
1081 1 102 GLU QG 1 130 LEU QD 3.800 . 4.180 3.484 3.136 3.814 . 0 0 "[ . 1 . 2]" 1
1082 1 103 GLU HA 1 129 ASN QB 4.650 . 5.120 3.041 2.564 3.747 . 0 0 "[ . 1 . 2]" 1
1083 1 103 GLU QB 1 103 GLU HG2 2.550 . 2.810 2.355 2.290 2.414 . 0 0 "[ . 1 . 2]" 1
1084 1 103 GLU QB 1 129 ASN HA 4.210 . 4.630 3.100 2.525 3.602 . 0 0 "[ . 1 . 2]" 1
1085 1 103 GLU QB 1 129 ASN QB 4.900 . 5.390 2.398 2.093 2.810 . 0 0 "[ . 1 . 2]" 1
1086 1 103 GLU HG3 1 129 ASN QB 4.630 . 5.090 3.109 2.802 3.574 . 0 0 "[ . 1 . 2]" 1
1087 1 103 GLU HG2 1 129 ASN QB 4.590 . 5.050 4.435 4.193 4.839 . 0 0 "[ . 1 . 2]" 1
1088 1 104 PHE QD 1 130 LEU QB 4.200 . 4.620 3.720 3.313 4.090 . 0 0 "[ . 1 . 2]" 1
1089 1 104 PHE QE 1 130 LEU QB 4.500 . 4.950 1.608 1.451 1.950 . 0 0 "[ . 1 . 2]" 1
1090 1 104 PHE QE 1 130 LEU QD 3.600 . 3.960 2.842 2.183 3.223 . 0 0 "[ . 1 . 2]" 1
1091 1 104 PHE HZ 1 130 LEU QB 4.620 . 5.080 2.794 2.107 3.413 . 0 0 "[ . 1 . 2]" 1
1092 1 104 PHE HZ 1 130 LEU QD 3.870 . 4.260 2.859 1.707 3.542 . 0 0 "[ . 1 . 2]" 1
1093 1 107 ASP H 1 107 ASP QB 3.210 . 3.530 2.868 2.461 3.065 . 0 0 "[ . 1 . 2]" 1
1094 1 107 ASP QB 1 108 VAL MG1 5.340 . 5.870 4.747 4.605 4.861 . 0 0 "[ . 1 . 2]" 1
1095 1 110 PHE HA 1 111 PRO QG 4.550 . 5.010 3.985 3.858 4.081 . 0 0 "[ . 1 . 2]" 1
1096 1 110 PHE HA 1 111 PRO QD 3.460 . 3.810 2.057 1.938 2.153 . 0 0 "[ . 1 . 2]" 1
1097 1 110 PHE QB 1 111 PRO QG 4.220 . 4.640 4.262 3.897 4.644 0.004 2 0 "[ . 1 . 2]" 1
1098 1 110 PHE QD 1 111 PRO QG 4.580 . 5.040 4.702 4.295 5.069 0.029 11 0 "[ . 1 . 2]" 1
1099 1 111 PRO QB 1 112 GLU H 3.970 . 4.370 2.713 2.141 3.155 . 0 0 "[ . 1 . 2]" 1
1100 1 112 GLU H 1 112 GLU QB 3.290 . 3.620 2.463 2.199 2.635 . 0 0 "[ . 1 . 2]" 1
1101 1 112 GLU HA 1 121 GLY QA 4.040 . 4.440 2.773 1.840 4.051 . 0 0 "[ . 1 . 2]" 1
1102 1 116 ALA MB 1 118 ASN QB 5.340 . 5.870 4.035 2.826 5.628 . 0 0 "[ . 1 . 2]" 1
1103 1 118 ASN H 1 118 ASN QB 3.380 . 3.720 2.465 2.224 2.756 . 0 0 "[ . 1 . 2]" 1
1104 1 118 ASN HA 1 118 ASN QB 2.620 . 2.880 2.391 2.202 2.435 . 0 0 "[ . 1 . 2]" 1
1105 1 118 ASN QB 1 119 LEU QB 5.340 . 5.870 4.231 3.884 5.447 . 0 0 "[ . 1 . 2]" 1
1106 1 118 ASN QB 1 119 LEU MD1 5.160 . 5.680 3.516 2.555 4.351 . 0 0 "[ . 1 . 2]" 1
1107 1 118 ASN QB 1 119 LEU MD2 4.940 . 5.430 2.160 1.873 3.577 . 0 0 "[ . 1 . 2]" 1
1108 1 118 ASN QB 1 122 LYS QD 5.180 . 5.700 4.192 3.021 5.179 . 0 0 "[ . 1 . 2]" 1
1109 1 119 LEU HA 1 122 LYS QG 4.370 . 4.810 2.853 2.384 4.347 . 0 0 "[ . 1 . 2]" 1
1110 1 119 LEU HA 1 122 LYS QD 3.750 . 4.130 2.249 1.813 3.573 . 0 0 "[ . 1 . 2]" 1
1111 1 119 LEU QB 1 122 LYS QD 4.720 . 5.190 3.862 3.212 5.192 0.002 6 0 "[ . 1 . 2]" 1
1112 1 119 LEU MD1 1 122 LYS QG 5.020 . 5.520 3.225 2.232 4.000 . 0 0 "[ . 1 . 2]" 1
1113 1 119 LEU MD1 1 122 LYS QD 5.000 . 5.500 2.166 1.692 4.344 . 0 0 "[ . 1 . 2]" 1
1114 1 120 LYS H 1 122 LYS QD 3.360 . 3.700 3.016 2.348 3.644 . 0 0 "[ . 1 . 2]" 1
1115 1 120 LYS HA 1 122 LYS QD 5.250 . 5.780 5.448 4.448 5.947 0.167 14 0 "[ . 1 . 2]" 1
1116 1 120 LYS QD 1 121 GLY QA 4.960 . 5.460 4.579 3.063 5.462 0.002 11 0 "[ . 1 . 2]" 1
1117 1 120 LYS QD 1 122 LYS QD 3.530 . 3.880 2.814 1.877 3.746 . 0 0 "[ . 1 . 2]" 1
1118 1 120 LYS QE 1 122 LYS QG 4.600 . 5.060 3.881 2.296 4.760 . 0 0 "[ . 1 . 2]" 1
1119 1 120 LYS QE 1 122 LYS QD 4.110 . 4.520 3.451 2.195 4.544 0.024 18 0 "[ . 1 . 2]" 1
1120 1 121 GLY H 1 122 LYS QD 4.890 . 5.380 4.654 3.721 5.500 0.120 1 0 "[ . 1 . 2]" 1
1121 1 121 GLY QA 1 122 LYS QB 5.340 . 5.870 4.536 4.324 4.702 . 0 0 "[ . 1 . 2]" 1
1122 1 121 GLY QA 1 122 LYS QD 5.180 . 5.700 5.414 4.292 5.789 0.089 18 0 "[ . 1 . 2]" 1
1123 1 122 LYS H 1 122 LYS QG 3.540 . 3.890 2.150 1.749 3.282 . 0 0 "[ . 1 . 2]" 1
1124 1 122 LYS H 1 122 LYS QD 3.510 . 3.860 3.661 1.899 4.030 0.170 5 0 "[ . 1 . 2]" 1
1125 1 129 ASN H 1 129 ASN QB 3.410 . 3.750 2.557 2.175 2.692 . 0 0 "[ . 1 . 2]" 1
1126 1 129 ASN HA 1 130 LEU QB 4.530 . 4.980 4.146 4.056 4.233 . 0 0 "[ . 1 . 2]" 1
1127 1 130 LEU H 1 130 LEU QB 3.360 . 3.700 2.231 2.167 2.285 . 0 0 "[ . 1 . 2]" 1
1128 1 130 LEU H 1 130 LEU QD 4.320 . 4.750 3.833 3.599 3.893 . 0 0 "[ . 1 . 2]" 1
1129 1 130 LEU QD 1 131 LYS H 3.530 . 3.880 2.162 1.867 2.812 . 0 0 "[ . 1 . 2]" 1
1130 1 130 LEU QD 1 132 LYS H 3.840 . 4.220 2.878 2.010 4.333 0.113 1 0 "[ . 1 . 2]" 1
1131 1 133 VAL H 1 133 VAL QG 3.420 . 3.760 1.955 1.774 2.210 . 0 0 "[ . 1 . 2]" 1
1132 1 133 VAL QG 1 134 GLU H 3.600 . 3.960 2.987 2.353 3.799 . 0 0 "[ . 1 . 2]" 1
1133 1 133 VAL QG 1 134 GLU QB 4.530 . 4.980 4.156 3.753 4.927 . 0 0 "[ . 1 . 2]" 1
1134 1 135 GLU H 1 135 GLU QB 3.560 . 3.920 3.063 2.538 3.474 . 0 0 "[ . 1 . 2]" 1
1135 1 136 ARG H 1 136 ARG QG 4.020 . 4.420 3.727 2.430 4.497 0.077 9 0 "[ . 1 . 2]" 1
1136 1 136 ARG QB 1 138 LEU H 4.720 . 5.190 4.762 3.909 5.461 0.271 8 0 "[ . 1 . 2]" 1
1137 1 136 ARG QB 1 139 PRO QB 5.120 . 5.630 3.576 1.980 5.834 0.204 17 0 "[ . 1 . 2]" 1
1138 1 136 ARG QB 1 139 PRO QG 4.190 . 4.610 3.192 1.863 4.735 0.125 8 0 "[ . 1 . 2]" 1
1139 1 136 ARG QB 1 139 PRO QD 4.130 . 4.540 3.412 2.004 4.441 . 0 0 "[ . 1 . 2]" 1
1140 1 136 ARG QG 1 139 PRO QD 5.180 . 5.700 4.180 2.210 5.748 0.048 7 0 "[ . 1 . 2]" 1
1141 1 137 GLU HA 1 139 PRO QD 4.750 . 5.230 3.899 3.192 4.507 . 0 0 "[ . 1 . 2]" 1
1142 1 137 GLU QB 1 139 PRO QD 5.350 . 5.890 5.017 4.306 5.419 . 0 0 "[ . 1 . 2]" 1
1143 1 138 LEU H 1 138 LEU QD 4.070 . 4.480 2.861 2.548 3.509 . 0 0 "[ . 1 . 2]" 1
1144 1 138 LEU H 1 139 PRO QD 4.100 . 4.510 2.637 2.302 3.714 . 0 0 "[ . 1 . 2]" 1
1145 1 138 LEU HA 1 138 LEU QD 3.710 . 4.080 2.217 1.985 3.490 . 0 0 "[ . 1 . 2]" 1
1146 1 138 LEU HG 1 139 PRO QD 5.290 . 5.820 4.773 4.621 5.094 . 0 0 "[ . 1 . 2]" 1
1147 1 138 LEU QD 1 139 PRO QD 3.760 . 4.140 3.528 3.183 4.243 0.103 20 0 "[ . 1 . 2]" 1
1148 1 139 PRO QB 1 140 GLU H 3.010 . 3.310 2.761 1.730 3.408 0.098 3 0 "[ . 1 . 2]" 1
1149 1 139 PRO QD 1 140 GLU H 4.960 . 5.460 4.867 4.443 5.068 . 0 0 "[ . 1 . 2]" 1
1150 1 140 GLU QB 1 141 LEU H 3.780 . 4.160 2.556 1.965 3.622 . 0 0 "[ . 1 . 2]" 1
1151 1 140 GLU QB 1 141 LEU HA 4.490 . 4.940 4.476 4.199 4.871 . 0 0 "[ . 1 . 2]" 1
1152 1 140 GLU QB 1 141 LEU QB 4.450 . 4.900 4.194 3.713 5.188 0.288 5 0 "[ . 1 . 2]" 1
1153 1 141 LEU H 1 141 LEU QB 2.930 . 3.220 2.343 2.179 2.559 . 0 0 "[ . 1 . 2]" 1
1154 1 141 LEU H 1 141 LEU QD 4.690 . 5.160 3.074 1.946 3.875 . 0 0 "[ . 1 . 2]" 1
1155 1 141 LEU HA 1 141 LEU QD 3.940 . 4.330 2.415 2.034 3.023 . 0 0 "[ . 1 . 2]" 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 24
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 124.156
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.0425
_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 2 ILE 0.036 0.019 18 0 "[ . 1 . 2]"
1 6 ALA 0.036 0.019 18 0 "[ . 1 . 2]"
1 8 ASN 0.406 0.172 19 0 "[ . 1 . 2]"
1 10 GLY 0.406 0.172 19 0 "[ . 1 . 2]"
1 20 TRP 0.052 0.052 1 0 "[ . 1 . 2]"
1 47 LYS 0.683 0.128 18 0 "[ . 1 . 2]"
1 51 VAL 0.039 0.039 5 0 "[ . 1 . 2]"
1 58 THR 0.868 0.162 10 0 "[ . 1 . 2]"
1 59 ILE 0.017 0.017 16 0 "[ . 1 . 2]"
1 61 PHE 0.561 0.075 18 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.052 0.052 1 0 "[ . 1 . 2]"
1 75 ALA 0.561 0.075 18 0 "[ . 1 . 2]"
1 78 PHE 0.017 0.017 16 0 "[ . 1 . 2]"
1 89 PRO 0.972 0.097 17 0 "[ . 1 . 2]"
1 90 GLY 0.707 0.093 17 0 "[ . 1 . 2]"
1 92 GLU 0.972 0.097 17 0 "[ . 1 . 2]"
1 93 ASP 0.707 0.093 17 0 "[ . 1 . 2]"
1 97 GLY 0.039 0.039 5 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ILE 0.591 0.071 19 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 PHE 0.209 0.088 15 0 "[ . 1 . 2]"
1 111 PRO 0.814 0.127 18 0 "[ . 1 . 2]"
1 114 TYR 1.065 0.127 18 0 "[ . 1 . 2]"
1 116 ALA 0.251 0.078 16 0 "[ . 1 . 2]"
1 122 LYS 0.209 0.088 15 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 PHE 0.591 0.071 19 0 "[ . 1 . 2]"
1 130 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LYS 0.868 0.162 10 0 "[ . 1 . 2]"
1 133 VAL 0.683 0.128 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 59 ILE O 1 78 PHE H 2.000 . 2.300 2.151 1.962 2.317 0.017 16 0 "[ . 1 . 2]" 2
2 1 114 TYR O 1 116 ALA H 2.000 . 2.300 2.189 2.018 2.378 0.078 16 0 "[ . 1 . 2]" 2
3 1 110 PHE H 1 122 LYS O 2.000 . 2.300 2.220 2.034 2.388 0.088 15 0 "[ . 1 . 2]" 2
4 1 102 GLU O 1 130 LEU H 2.000 . 2.300 2.081 1.909 2.245 . 0 0 "[ . 1 . 2]" 2
5 1 106 ILE H 1 126 PHE O 2.000 . 2.300 2.310 2.158 2.371 0.071 19 0 "[ . 1 . 2]" 2
6 1 111 PRO O 1 114 TYR H 2.000 . 2.300 2.292 2.028 2.427 0.127 18 0 "[ . 1 . 2]" 2
7 1 47 LYS H 1 133 VAL O 2.000 . 2.300 2.300 2.075 2.428 0.128 18 0 "[ . 1 . 2]" 2
8 1 58 THR H 1 132 LYS O 2.000 . 2.300 2.307 2.153 2.462 0.162 10 0 "[ . 1 . 2]" 2
9 1 58 THR HG1 1 132 LYS O 3.000 . 3.300 3.289 2.943 3.365 0.065 7 0 "[ . 1 . 2]" 2
10 1 65 VAL H 1 68 GLU O 2.000 . 2.300 1.886 1.840 1.957 . 0 0 "[ . 1 . 2]" 2
11 1 65 VAL O 1 68 GLU H 2.000 . 2.300 2.092 1.992 2.180 . 0 0 "[ . 1 . 2]" 2
12 1 61 PHE H 1 75 ALA O 2.000 . 2.300 2.315 2.170 2.375 0.075 18 0 "[ . 1 . 2]" 2
13 1 89 PRO O 1 92 GLU H 2.000 . 2.300 2.348 2.290 2.397 0.097 17 0 "[ . 1 . 2]" 2
14 1 90 GLY O 1 93 ASP H 2.000 . 2.300 2.335 2.301 2.393 0.093 17 0 "[ . 1 . 2]" 2
15 1 99 LYS H 1 102 GLU OE2 3.000 . 3.300 2.335 2.179 2.497 . 0 0 "[ . 1 . 2]" 2
16 1 108 VAL H 1 124 ALA O 2.000 . 2.300 1.996 1.890 2.088 . 0 0 "[ . 1 . 2]" 2
17 1 108 VAL O 1 124 ALA H 2.000 . 2.300 1.940 1.835 2.038 . 0 0 "[ . 1 . 2]" 2
18 1 106 ILE O 1 126 PHE H 2.000 . 2.300 2.012 1.944 2.154 . 0 0 "[ . 1 . 2]" 2
19 1 2 ILE O 1 6 ALA H 2.000 . 2.300 2.125 1.985 2.319 0.019 18 0 "[ . 1 . 2]" 2
20 1 8 ASN OD1 1 10 GLY H 3.000 . 3.300 2.568 2.027 3.472 0.172 19 0 "[ . 1 . 2]" 2
21 1 20 TRP HE1 1 73 GLY O 3.000 . 3.300 2.412 2.001 3.352 0.052 1 0 "[ . 1 . 2]" 2
22 1 59 ILE H 1 78 PHE O 2.000 . 2.300 1.977 1.913 2.059 . 0 0 "[ . 1 . 2]" 2
23 1 51 VAL O 1 97 GLY H 2.000 . 2.300 2.102 1.967 2.339 0.039 5 0 "[ . 1 . 2]" 2
24 1 64 SER O 1 125 LYS H 2.000 . 2.300 2.016 1.930 2.179 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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