NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471649 |
2kva   |
16772 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kva
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 1350
_Distance_constraint_stats_list.Viol_count 1644
_Distance_constraint_stats_list.Viol_total 1837.370
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_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 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.091 0.045 16 0 "[ . 1 . 2]"
1 8 SER 0.091 0.045 16 0 "[ . 1 . 2]"
1 9 ARG 1.593 0.126 14 0 "[ . 1 . 2]"
1 10 THR 0.209 0.077 11 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.188 0.052 4 0 "[ . 1 . 2]"
1 14 ASN 0.081 0.081 19 0 "[ . 1 . 2]"
1 15 CYS 0.233 0.065 15 0 "[ . 1 . 2]"
1 16 THR 0.847 0.083 15 0 "[ . 1 . 2]"
1 17 VAL 0.427 0.104 13 0 "[ . 1 . 2]"
1 18 PHE 0.250 0.054 16 0 "[ . 1 . 2]"
1 19 ASP 3.654 0.183 15 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLN 1.568 0.148 18 0 "[ . 1 . 2]"
1 22 ALA 0.664 0.094 19 0 "[ . 1 . 2]"
1 23 GLY 1.071 0.151 4 0 "[ . 1 . 2]"
1 24 PHE 0.315 0.084 18 0 "[ . 1 . 2]"
1 25 SER 0.006 0.006 8 0 "[ . 1 . 2]"
1 26 PHE 0.553 0.104 13 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.610 0.177 19 0 "[ . 1 . 2]"
1 29 THR 0.451 0.177 19 0 "[ . 1 . 2]"
1 30 PRO 0.059 0.022 6 0 "[ . 1 . 2]"
1 31 LEU 2.304 0.156 1 0 "[ . 1 . 2]"
1 32 THR 0.297 0.060 11 0 "[ . 1 . 2]"
1 33 LYS 3.764 0.219 7 0 "[ . 1 . 2]"
1 34 LYS 0.099 0.099 2 0 "[ . 1 . 2]"
1 35 ASP 0.591 0.086 9 0 "[ . 1 . 2]"
1 36 ALA 0.105 0.037 4 0 "[ . 1 . 2]"
1 37 TYR 5.966 0.219 7 0 "[ . 1 . 2]"
1 38 LYS 6.362 0.349 11 0 "[ . 1 . 2]"
1 39 VAL 1.021 0.349 11 0 "[ . 1 . 2]"
1 40 GLU 0.816 0.134 2 0 "[ . 1 . 2]"
1 41 THR 0.195 0.068 15 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.178 0.104 17 0 "[ . 1 . 2]"
1 44 TYR 1.565 0.104 17 0 "[ . 1 . 2]"
1 45 GLU 0.729 0.142 4 0 "[ . 1 . 2]"
1 46 PHE 0.689 0.082 7 0 "[ . 1 . 2]"
1 47 HIS 2.313 0.142 4 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 2.842 0.164 12 0 "[ . 1 . 2]"
1 50 VAL 1.055 0.134 7 0 "[ . 1 . 2]"
1 51 CYS 1.359 0.088 1 0 "[ . 1 . 2]"
1 52 GLY 0.954 0.098 5 0 "[ . 1 . 2]"
1 53 PRO 0.653 0.208 2 0 "[ . 1 . 2]"
1 54 VAL 0.132 0.045 2 0 "[ . 1 . 2]"
1 55 SER 3.317 0.164 12 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.006 0.006 18 0 "[ . 1 . 2]"
1 59 CYS 0.233 0.081 16 0 "[ . 1 . 2]"
1 60 PRO 0.659 0.089 20 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.653 0.208 2 0 "[ . 1 . 2]"
1 63 SER 0.799 0.142 2 0 "[ . 1 . 2]"
1 64 GLY 0.442 0.054 2 0 "[ . 1 . 2]"
1 65 ALA 1.198 0.111 19 0 "[ . 1 . 2]"
1 66 CYS 2.458 0.164 10 0 "[ . 1 . 2]"
1 67 GLN 1.188 0.092 5 0 "[ . 1 . 2]"
1 68 VAL 0.180 0.063 18 0 "[ . 1 . 2]"
1 69 SER 0.108 0.044 1 0 "[ . 1 . 2]"
1 70 ARG 0.350 0.065 12 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 1.746 0.263 7 0 "[ . 1 . 2]"
1 74 LYS 3.366 0.217 18 0 "[ . 1 . 2]"
1 75 SER 1.700 0.140 13 0 "[ . 1 . 2]"
1 76 TRP 2.468 0.174 4 0 "[ . 1 . 2]"
1 77 ASN 0.957 0.128 4 0 "[ . 1 . 2]"
1 78 LEU 3.656 0.219 11 0 "[ . 1 . 2]"
1 79 GLY 0.028 0.028 9 0 "[ . 1 . 2]"
1 80 ARG 2.127 0.142 2 0 "[ . 1 . 2]"
1 81 SER 1.482 0.096 18 0 "[ . 1 . 2]"
1 82 ASN 3.199 0.232 2 0 "[ . 1 . 2]"
1 83 ALA 1.128 0.129 4 0 "[ . 1 . 2]"
1 84 LYS 1.769 0.254 2 0 "[ . 1 . 2]"
1 85 LEU 1.481 0.137 15 0 "[ . 1 . 2]"
1 86 SER 0.280 0.104 16 0 "[ . 1 . 2]"
1 87 TYR 5.979 0.242 16 0 "[ . 1 . 2]"
1 88 TYR 0.673 0.106 16 0 "[ . 1 . 2]"
1 89 ASP 0.261 0.072 12 0 "[ . 1 . 2]"
1 90 GLY 0.024 0.020 11 0 "[ . 1 . 2]"
1 91 MET 0.271 0.106 16 0 "[ . 1 . 2]"
1 92 ILE 6.143 0.242 16 0 "[ . 1 . 2]"
1 93 GLN 2.341 0.180 12 0 "[ . 1 . 2]"
1 94 LEU 0.467 0.103 7 0 "[ . 1 . 2]"
1 95 THR 0.796 0.137 15 0 "[ . 1 . 2]"
1 96 TYR 4.717 0.126 3 0 "[ . 1 . 2]"
1 97 ARG 0.221 0.081 13 0 "[ . 1 . 2]"
1 98 ASP 0.979 0.126 6 0 "[ . 1 . 2]"
1 99 GLY 1.018 0.179 9 0 "[ . 1 . 2]"
1 100 THR 0.939 0.074 16 0 "[ . 1 . 2]"
1 101 PRO 0.752 0.087 11 0 "[ . 1 . 2]"
1 102 TYR 5.784 0.233 17 0 "[ . 1 . 2]"
1 104 ASN 0.061 0.033 11 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LYS 0.369 0.097 18 0 "[ . 1 . 2]"
1 107 ARG 1.754 0.143 1 0 "[ . 1 . 2]"
1 108 THR 1.726 0.143 1 0 "[ . 1 . 2]"
1 109 PRO 0.721 0.074 16 0 "[ . 1 . 2]"
1 110 ARG 2.534 0.179 9 0 "[ . 1 . 2]"
1 111 ALA 1.080 0.078 9 0 "[ . 1 . 2]"
1 112 THR 0.605 0.084 6 0 "[ . 1 . 2]"
1 113 LEU 2.695 0.151 14 0 "[ . 1 . 2]"
1 114 ILE 2.605 0.187 15 0 "[ . 1 . 2]"
1 115 THR 0.371 0.087 15 0 "[ . 1 . 2]"
1 116 PHE 5.523 0.207 7 0 "[ . 1 . 2]"
1 117 LEU 0.257 0.055 8 0 "[ . 1 . 2]"
1 118 CYS 0.881 0.162 3 0 "[ . 1 . 2]"
1 119 ASP 0.516 0.101 20 0 "[ . 1 . 2]"
1 123 GLY 0.202 0.058 12 0 "[ . 1 . 2]"
1 124 VAL 1.129 0.125 19 0 "[ . 1 . 2]"
1 125 GLY 0.618 0.125 19 0 "[ . 1 . 2]"
1 126 PHE 3.325 0.179 19 0 "[ . 1 . 2]"
1 127 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLU 3.643 0.146 7 0 "[ . 1 . 2]"
1 129 TYR 1.922 0.123 13 0 "[ . 1 . 2]"
1 130 GLN 1.981 0.208 19 0 "[ . 1 . 2]"
1 131 GLU 0.250 0.110 11 0 "[ . 1 . 2]"
1 134 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 SER 1.396 0.158 14 0 "[ . 1 . 2]"
1 136 THR 0.139 0.076 5 0 "[ . 1 . 2]"
1 137 TYR 1.056 0.087 1 0 "[ . 1 . 2]"
1 138 ASN 2.033 0.208 19 0 "[ . 1 . 2]"
1 139 PHE 1.296 0.123 13 0 "[ . 1 . 2]"
1 140 ARG 0.923 0.107 7 0 "[ . 1 . 2]"
1 141 TRP 3.201 0.156 1 0 "[ . 1 . 2]"
1 142 TYR 0.220 0.089 7 0 "[ . 1 . 2]"
1 143 THR 0.595 0.101 20 0 "[ . 1 . 2]"
1 144 SER 0.202 0.058 12 0 "[ . 1 . 2]"
1 145 TYR 0.375 0.069 19 0 "[ . 1 . 2]"
1 146 ALA 0.981 0.107 2 0 "[ . 1 . 2]"
1 147 CYS 0.878 0.162 3 0 "[ . 1 . 2]"
1 148 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ALA MB 1 5 GLU H . . 5.500 3.119 2.113 3.618 . 0 0 "[ . 1 . 2]" 1
2 1 7 LEU HG 1 8 SER H . . 5.040 4.388 3.203 5.085 0.045 16 0 "[ . 1 . 2]" 1
3 1 9 ARG H 1 9 ARG QD . . 5.340 4.516 2.248 5.064 . 0 0 "[ . 1 . 2]" 1
4 1 9 ARG H 1 9 ARG HG3 . . 4.990 4.491 3.383 5.010 0.020 5 0 "[ . 1 . 2]" 1
5 1 9 ARG H 1 10 THR H . . 5.450 4.240 4.022 4.486 . 0 0 "[ . 1 . 2]" 1
6 1 9 ARG HA 1 9 ARG HD2 . . 5.500 4.578 3.202 4.905 . 0 0 "[ . 1 . 2]" 1
7 1 9 ARG HA 1 9 ARG HD3 . . 5.500 4.525 4.234 4.965 . 0 0 "[ . 1 . 2]" 1
8 1 9 ARG HA 1 10 THR H . . 3.310 2.124 2.029 2.283 . 0 0 "[ . 1 . 2]" 1
9 1 9 ARG HA 1 87 TYR QD . . 5.130 5.117 4.384 5.256 0.126 14 0 "[ . 1 . 2]" 1
10 1 9 ARG HA 1 88 TYR QD . . 4.170 3.801 2.929 4.216 0.046 3 0 "[ . 1 . 2]" 1
11 1 9 ARG QB 1 86 SER QB . . 4.220 3.836 1.959 4.324 0.104 16 0 "[ . 1 . 2]" 1
12 1 9 ARG QD 1 86 SER QB . . 4.650 2.541 1.929 4.303 . 0 0 "[ . 1 . 2]" 1
13 1 9 ARG HG2 1 10 THR H . . 4.810 3.626 3.009 4.809 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG HG2 1 86 SER QB . . 4.610 2.475 2.043 3.983 . 0 0 "[ . 1 . 2]" 1
15 1 9 ARG HG3 1 10 THR H . . 5.500 3.670 3.138 4.624 . 0 0 "[ . 1 . 2]" 1
16 1 9 ARG HG3 1 86 SER QB . . 5.340 2.730 2.259 4.110 . 0 0 "[ . 1 . 2]" 1
17 1 9 ARG HG3 1 87 TYR H . . 5.500 3.400 2.802 4.271 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG HG3 1 87 TYR HB3 . . 5.500 5.127 4.195 5.612 0.112 5 0 "[ . 1 . 2]" 1
19 1 10 THR H 1 10 THR HB . . 3.890 2.563 2.426 2.760 . 0 0 "[ . 1 . 2]" 1
20 1 10 THR H 1 86 SER HA . . 5.500 4.789 4.109 5.193 . 0 0 "[ . 1 . 2]" 1
21 1 10 THR H 1 87 TYR H . . 4.190 2.898 2.255 3.253 . 0 0 "[ . 1 . 2]" 1
22 1 10 THR H 1 87 TYR HB2 . . 5.500 4.428 3.979 5.087 . 0 0 "[ . 1 . 2]" 1
23 1 10 THR H 1 87 TYR HB3 . . 4.780 3.005 2.493 3.493 . 0 0 "[ . 1 . 2]" 1
24 1 10 THR H 1 87 TYR QD . . 5.200 4.228 3.775 4.466 . 0 0 "[ . 1 . 2]" 1
25 1 10 THR HA 1 11 GLU H . . 3.030 2.244 2.169 2.315 . 0 0 "[ . 1 . 2]" 1
26 1 10 THR HB 1 87 TYR H . . 4.510 3.730 3.218 4.389 . 0 0 "[ . 1 . 2]" 1
27 1 10 THR HB 1 87 TYR HB2 . . 5.110 3.929 2.769 5.137 0.027 16 0 "[ . 1 . 2]" 1
28 1 10 THR HB 1 87 TYR HB3 . . 4.610 2.833 2.016 3.604 . 0 0 "[ . 1 . 2]" 1
29 1 10 THR HB 1 87 TYR QD . . 4.240 3.938 3.308 4.317 0.077 11 0 "[ . 1 . 2]" 1
30 1 11 GLU H 1 11 GLU HB2 . . 4.030 3.475 2.563 3.852 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLU H 1 11 GLU QB . . 3.460 2.861 2.431 3.196 . 0 0 "[ . 1 . 2]" 1
32 1 11 GLU H 1 11 GLU HB3 . . 4.030 3.219 2.612 3.733 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLU H 1 11 GLU QG . . 4.140 2.455 1.917 4.046 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLU HA 1 12 GLY H . . 3.240 2.139 2.055 2.248 . 0 0 "[ . 1 . 2]" 1
35 1 11 GLU HA 1 86 SER HA . . 4.020 2.065 1.910 2.520 . 0 0 "[ . 1 . 2]" 1
36 1 11 GLU HA 1 86 SER QB . . 4.700 3.688 2.921 4.442 . 0 0 "[ . 1 . 2]" 1
37 1 11 GLU HA 1 87 TYR H . . 4.530 3.406 3.079 3.929 . 0 0 "[ . 1 . 2]" 1
38 1 11 GLU QB 1 11 GLU QG . . 2.370 2.069 2.000 2.097 . 0 0 "[ . 1 . 2]" 1
39 1 11 GLU QB 1 12 GLY H . . 3.870 2.867 2.485 3.652 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLU QG 1 12 GLY H . . 4.630 4.007 2.571 4.409 . 0 0 "[ . 1 . 2]" 1
41 1 12 GLY H 1 13 ASP H . . 4.850 3.941 1.953 4.463 . 0 0 "[ . 1 . 2]" 1
42 1 12 GLY H 1 17 VAL HA . . 4.370 3.440 2.576 4.137 . 0 0 "[ . 1 . 2]" 1
43 1 12 GLY H 1 17 VAL HB . . 5.320 3.487 2.757 4.220 . 0 0 "[ . 1 . 2]" 1
44 1 12 GLY H 1 18 PHE H . . 5.500 4.414 3.502 5.432 . 0 0 "[ . 1 . 2]" 1
45 1 12 GLY H 1 85 LEU H . . 4.990 3.443 2.905 4.054 . 0 0 "[ . 1 . 2]" 1
46 1 12 GLY H 1 85 LEU HB2 . . 5.500 3.723 3.319 4.063 . 0 0 "[ . 1 . 2]" 1
47 1 12 GLY H 1 86 SER HA . . 4.620 3.263 2.820 3.912 . 0 0 "[ . 1 . 2]" 1
48 1 12 GLY HA2 1 13 ASP H . . 3.560 2.833 2.466 3.502 . 0 0 "[ . 1 . 2]" 1
49 1 12 GLY HA3 1 13 ASP H . . 3.560 2.516 2.200 2.938 . 0 0 "[ . 1 . 2]" 1
50 1 13 ASP H 1 13 ASP QB . . 3.730 2.864 2.524 3.380 . 0 0 "[ . 1 . 2]" 1
51 1 13 ASP H 1 14 ASN H . . 5.000 4.203 2.582 4.572 . 0 0 "[ . 1 . 2]" 1
52 1 13 ASP H 1 16 THR H . . 4.360 3.977 3.177 4.374 0.014 4 0 "[ . 1 . 2]" 1
53 1 13 ASP H 1 17 VAL HB . . 5.500 5.286 4.340 5.552 0.052 4 0 "[ . 1 . 2]" 1
54 1 13 ASP HA 1 84 LYS HA . . 4.110 2.298 1.824 2.989 . 0 0 "[ . 1 . 2]" 1
55 1 13 ASP HA 1 85 LEU H . . 4.650 3.167 2.061 4.374 . 0 0 "[ . 1 . 2]" 1
56 1 13 ASP QB 1 14 ASN H . . 4.190 3.034 1.859 3.666 . 0 0 "[ . 1 . 2]" 1
57 1 14 ASN H 1 15 CYS H . . 4.410 2.949 2.546 3.801 . 0 0 "[ . 1 . 2]" 1
58 1 14 ASN H 1 16 THR H . . 5.470 4.100 3.633 4.353 . 0 0 "[ . 1 . 2]" 1
59 1 14 ASN H 1 83 ALA MB . . 4.150 2.634 1.941 4.231 0.081 19 0 "[ . 1 . 2]" 1
60 1 14 ASN HA 1 16 THR H . . 4.950 4.263 4.024 4.630 . 0 0 "[ . 1 . 2]" 1
61 1 14 ASN HA 1 83 ALA MB . . 3.730 2.188 1.700 3.145 . 0 0 "[ . 1 . 2]" 1
62 1 14 ASN HB2 1 83 ALA MB . . 5.330 4.178 3.412 5.149 . 0 0 "[ . 1 . 2]" 1
63 1 14 ASN HB3 1 83 ALA MB . . 5.330 4.413 3.477 5.198 . 0 0 "[ . 1 . 2]" 1
64 1 15 CYS CB 1 51 CYS SG . . 3.100 3.028 2.996 3.070 . 0 0 "[ . 1 . 2]" 1
65 1 15 CYS H 1 16 THR H . . 3.760 2.713 2.513 2.901 . 0 0 "[ . 1 . 2]" 1
66 1 15 CYS H 1 51 CYS QB . . 5.340 4.347 2.967 5.208 . 0 0 "[ . 1 . 2]" 1
67 1 15 CYS H 1 83 ALA HA . . 5.250 3.785 3.478 4.305 . 0 0 "[ . 1 . 2]" 1
68 1 15 CYS H 1 83 ALA MB . . 3.500 1.955 1.677 2.457 . 0 0 "[ . 1 . 2]" 1
69 1 15 CYS H 1 84 LYS HA . . 5.260 4.445 3.858 5.133 . 0 0 "[ . 1 . 2]" 1
70 1 15 CYS H 1 85 LEU H . . 5.500 4.379 3.880 4.921 . 0 0 "[ . 1 . 2]" 1
71 1 15 CYS HA 1 83 ALA HA . . 5.370 4.405 3.755 4.953 . 0 0 "[ . 1 . 2]" 1
72 1 15 CYS HA 1 83 ALA MB . . 4.200 3.143 2.225 3.663 . 0 0 "[ . 1 . 2]" 1
73 1 15 CYS HA 1 85 LEU HG . . 4.130 2.973 2.512 3.993 . 0 0 "[ . 1 . 2]" 1
74 1 15 CYS QB 1 28 LEU H . . 4.890 3.467 2.928 4.908 0.018 19 0 "[ . 1 . 2]" 1
75 1 15 CYS QB 1 51 CYS QB . . 4.230 3.808 2.352 4.181 . 0 0 "[ . 1 . 2]" 1
76 1 15 CYS QB 1 83 ALA MB . . 4.020 3.704 2.476 4.085 0.065 15 0 "[ . 1 . 2]" 1
77 1 15 CYS SG 1 51 CYS CB . . 3.100 3.016 2.993 3.073 . 0 0 "[ . 1 . 2]" 1
78 1 15 CYS SG 1 51 CYS SG . . 2.100 2.028 2.019 2.044 . 0 0 "[ . 1 . 2]" 1
79 1 16 THR H 1 17 VAL H . . 5.020 4.318 4.243 4.396 . 0 0 "[ . 1 . 2]" 1
80 1 16 THR H 1 85 LEU HB2 . . 3.840 3.851 3.286 3.923 0.083 15 0 "[ . 1 . 2]" 1
81 1 16 THR H 1 85 LEU HG . . 4.530 3.459 3.063 4.287 . 0 0 "[ . 1 . 2]" 1
82 1 16 THR HA 1 17 VAL H . . 3.270 2.242 2.153 2.357 . 0 0 "[ . 1 . 2]" 1
83 1 16 THR HA 1 26 PHE H . . 5.010 4.747 4.440 5.038 0.028 19 0 "[ . 1 . 2]" 1
84 1 16 THR HA 1 27 ASP H . . 5.500 4.859 4.692 5.047 . 0 0 "[ . 1 . 2]" 1
85 1 16 THR HA 1 27 ASP HA . . 3.840 2.335 2.071 2.722 . 0 0 "[ . 1 . 2]" 1
86 1 16 THR HA 1 28 LEU H . . 4.270 3.308 2.836 3.728 . 0 0 "[ . 1 . 2]" 1
87 1 16 THR HB 1 17 VAL H . . 3.560 2.644 2.470 2.765 . 0 0 "[ . 1 . 2]" 1
88 1 16 THR HB 1 27 ASP HA . . 4.680 3.899 3.614 4.271 . 0 0 "[ . 1 . 2]" 1
89 1 17 VAL H 1 25 SER HA . . 5.000 4.571 4.231 4.909 . 0 0 "[ . 1 . 2]" 1
90 1 17 VAL H 1 26 PHE H . . 3.820 2.926 2.719 3.217 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL H 1 26 PHE HB2 . . 4.490 4.176 3.610 4.594 0.104 13 0 "[ . 1 . 2]" 1
92 1 17 VAL H 1 26 PHE HB3 . . 5.110 4.092 3.311 4.808 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL H 1 27 ASP HA . . 4.670 3.588 3.191 4.012 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL H 1 85 LEU HB3 . . 5.500 4.853 4.469 5.278 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL HA 1 18 PHE H . . 3.140 2.132 2.069 2.208 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL HB 1 18 PHE H . . 4.510 4.082 3.903 4.232 . 0 0 "[ . 1 . 2]" 1
97 1 17 VAL HB 1 85 LEU H . . 5.500 4.067 3.734 5.110 . 0 0 "[ . 1 . 2]" 1
98 1 17 VAL HB 1 85 LEU HB2 . . 4.440 2.078 1.874 3.139 . 0 0 "[ . 1 . 2]" 1
99 1 17 VAL HB 1 85 LEU HB3 . . 4.080 2.371 2.013 3.028 . 0 0 "[ . 1 . 2]" 1
100 1 18 PHE H 1 18 PHE HB3 . . 3.500 3.259 3.097 3.365 . 0 0 "[ . 1 . 2]" 1
101 1 18 PHE H 1 19 ASP H . . 4.800 4.265 4.179 4.353 . 0 0 "[ . 1 . 2]" 1
102 1 18 PHE H 1 25 SER HA . . 5.020 4.598 4.380 4.730 . 0 0 "[ . 1 . 2]" 1
103 1 18 PHE H 1 26 PHE H . . 5.500 4.769 4.581 4.914 . 0 0 "[ . 1 . 2]" 1
104 1 18 PHE HA 1 19 ASP H . . 3.220 2.160 2.065 2.249 . 0 0 "[ . 1 . 2]" 1
105 1 18 PHE HA 1 24 PHE H . . 5.500 4.560 4.316 4.803 . 0 0 "[ . 1 . 2]" 1
106 1 18 PHE HA 1 25 SER H . . 5.500 4.580 4.427 4.735 . 0 0 "[ . 1 . 2]" 1
107 1 18 PHE HA 1 25 SER HA . . 3.770 2.100 1.947 2.331 . 0 0 "[ . 1 . 2]" 1
108 1 18 PHE HA 1 26 PHE H . . 4.230 3.332 2.968 3.605 . 0 0 "[ . 1 . 2]" 1
109 1 18 PHE HB2 1 19 ASP H . . 3.990 2.963 2.644 3.160 . 0 0 "[ . 1 . 2]" 1
110 1 18 PHE HB3 1 19 ASP H . . 4.260 3.975 3.776 4.075 . 0 0 "[ . 1 . 2]" 1
111 1 18 PHE HB3 1 25 SER HA . . 4.160 3.021 2.323 3.471 . 0 0 "[ . 1 . 2]" 1
112 1 18 PHE HB3 1 25 SER QB . . 4.660 2.818 2.233 3.272 . 0 0 "[ . 1 . 2]" 1
113 1 18 PHE HB3 1 26 PHE H . . 4.260 4.101 3.645 4.314 0.054 16 0 "[ . 1 . 2]" 1
114 1 19 ASP H 1 19 ASP HB2 . . 4.030 2.777 2.323 3.105 . 0 0 "[ . 1 . 2]" 1
115 1 19 ASP H 1 19 ASP QB . . 3.520 2.446 2.296 2.573 . 0 0 "[ . 1 . 2]" 1
116 1 19 ASP H 1 19 ASP HB3 . . 4.030 2.955 2.492 3.701 . 0 0 "[ . 1 . 2]" 1
117 1 19 ASP H 1 20 SER H . . 5.310 4.225 4.017 4.424 . 0 0 "[ . 1 . 2]" 1
118 1 19 ASP H 1 22 ALA MB . . 5.100 4.719 4.232 5.143 0.043 17 0 "[ . 1 . 2]" 1
119 1 19 ASP H 1 24 PHE H . . 4.190 2.829 2.565 3.158 . 0 0 "[ . 1 . 2]" 1
120 1 19 ASP H 1 24 PHE HB2 . . 5.110 4.786 4.331 5.118 0.008 2 0 "[ . 1 . 2]" 1
121 1 19 ASP H 1 24 PHE QB . . 4.400 3.477 2.645 4.466 0.066 10 0 "[ . 1 . 2]" 1
122 1 19 ASP H 1 24 PHE HB3 . . 5.110 3.661 2.668 5.194 0.084 18 0 "[ . 1 . 2]" 1
123 1 19 ASP H 1 25 SER HA . . 4.330 3.491 3.236 3.879 . 0 0 "[ . 1 . 2]" 1
124 1 19 ASP HA 1 20 SER H . . 3.260 2.134 2.014 2.238 . 0 0 "[ . 1 . 2]" 1
125 1 19 ASP HA 1 21 GLN HE21 . . 3.980 3.889 2.856 4.128 0.148 18 0 "[ . 1 . 2]" 1
126 1 19 ASP HA 1 22 ALA H . . 4.810 4.508 4.008 4.758 . 0 0 "[ . 1 . 2]" 1
127 1 19 ASP QB 1 22 ALA H . . 4.350 2.859 1.878 3.211 . 0 0 "[ . 1 . 2]" 1
128 1 19 ASP QB 1 22 ALA MB . . 3.890 2.470 1.894 2.993 . 0 0 "[ . 1 . 2]" 1
129 1 19 ASP QB 1 24 PHE H . . 4.130 2.643 1.786 3.087 . 0 0 "[ . 1 . 2]" 1
130 1 19 ASP QB 1 87 TYR QD . . 4.340 3.506 2.152 4.382 0.042 6 0 "[ . 1 . 2]" 1
131 1 19 ASP QB 1 87 TYR QE . . 4.470 4.159 3.103 4.639 0.169 14 0 "[ . 1 . 2]" 1
132 1 19 ASP HB2 1 22 ALA MB . . 4.620 3.353 2.161 4.285 . 0 0 "[ . 1 . 2]" 1
133 1 19 ASP HB2 1 23 GLY H . . 4.800 4.502 2.927 4.951 0.151 4 0 "[ . 1 . 2]" 1
134 1 19 ASP HB2 1 24 PHE H . . 4.950 3.718 1.794 4.555 . 0 0 "[ . 1 . 2]" 1
135 1 19 ASP HB2 1 87 TYR QD . . 5.090 3.722 2.170 5.124 0.034 14 0 "[ . 1 . 2]" 1
136 1 19 ASP HB2 1 87 TYR QE . . 5.260 4.518 3.333 5.250 . 0 0 "[ . 1 . 2]" 1
137 1 19 ASP HB3 1 22 ALA MB . . 4.620 2.642 2.094 3.355 . 0 0 "[ . 1 . 2]" 1
138 1 19 ASP HB3 1 23 GLY H . . 4.800 3.395 3.108 4.334 . 0 0 "[ . 1 . 2]" 1
139 1 19 ASP HB3 1 24 PHE H . . 4.950 3.067 2.304 4.330 . 0 0 "[ . 1 . 2]" 1
140 1 19 ASP HB3 1 87 TYR QD . . 5.090 4.522 3.568 5.140 0.050 7 0 "[ . 1 . 2]" 1
141 1 19 ASP HB3 1 87 TYR QE . . 5.260 4.905 3.697 5.443 0.183 15 0 "[ . 1 . 2]" 1
142 1 20 SER H 1 21 GLN H . . 4.190 2.616 2.369 2.755 . 0 0 "[ . 1 . 2]" 1
143 1 21 GLN H 1 21 GLN QB . . 3.170 2.683 2.326 2.992 . 0 0 "[ . 1 . 2]" 1
144 1 21 GLN H 1 21 GLN QG . . 4.220 2.408 1.739 2.952 . 0 0 "[ . 1 . 2]" 1
145 1 21 GLN H 1 22 ALA H . . 3.350 2.534 2.356 2.701 . 0 0 "[ . 1 . 2]" 1
146 1 21 GLN H 1 23 GLY H . . 4.430 3.596 3.213 4.006 . 0 0 "[ . 1 . 2]" 1
147 1 21 GLN QB 1 22 ALA H . . 3.450 2.916 2.234 3.544 0.094 19 0 "[ . 1 . 2]" 1
148 1 22 ALA H 1 22 ALA MB . . 3.280 2.309 2.260 2.371 . 0 0 "[ . 1 . 2]" 1
149 1 22 ALA H 1 23 GLY H . . 3.860 2.278 2.143 2.411 . 0 0 "[ . 1 . 2]" 1
150 1 22 ALA H 1 23 GLY QA . . 5.040 4.215 4.111 4.332 . 0 0 "[ . 1 . 2]" 1
151 1 22 ALA H 1 24 PHE H . . 5.000 4.121 3.529 4.667 . 0 0 "[ . 1 . 2]" 1
152 1 22 ALA MB 1 23 GLY H . . 3.970 2.993 2.903 3.181 . 0 0 "[ . 1 . 2]" 1
153 1 22 ALA MB 1 24 PHE H . . 4.220 3.407 2.939 3.924 . 0 0 "[ . 1 . 2]" 1
154 1 22 ALA MB 1 87 TYR QE . . 5.150 4.042 2.577 5.208 0.058 8 0 "[ . 1 . 2]" 1
155 1 23 GLY H 1 24 PHE H . . 3.520 2.602 2.371 2.843 . 0 0 "[ . 1 . 2]" 1
156 1 24 PHE HA 1 25 SER H . . 3.050 2.311 2.236 2.433 . 0 0 "[ . 1 . 2]" 1
157 1 24 PHE QB 1 25 SER H . . 3.770 3.389 2.350 3.739 . 0 0 "[ . 1 . 2]" 1
158 1 24 PHE HB2 1 25 SER H . . 4.310 3.834 2.375 4.316 0.006 8 0 "[ . 1 . 2]" 1
159 1 24 PHE HB3 1 25 SER H . . 4.310 3.940 3.691 4.150 . 0 0 "[ . 1 . 2]" 1
160 1 25 SER H 1 25 SER QB . . 3.560 3.018 2.593 3.189 . 0 0 "[ . 1 . 2]" 1
161 1 25 SER H 1 26 PHE H . . 5.190 4.230 4.097 4.370 . 0 0 "[ . 1 . 2]" 1
162 1 25 SER HA 1 26 PHE H . . 2.990 2.185 2.144 2.236 . 0 0 "[ . 1 . 2]" 1
163 1 25 SER QB 1 26 PHE H . . 3.880 3.178 2.838 3.839 . 0 0 "[ . 1 . 2]" 1
164 1 26 PHE H 1 26 PHE HB2 . . 3.380 2.691 2.436 2.835 . 0 0 "[ . 1 . 2]" 1
165 1 26 PHE H 1 26 PHE HB3 . . 4.160 3.394 2.772 3.809 . 0 0 "[ . 1 . 2]" 1
166 1 26 PHE HA 1 27 ASP H . . 3.140 2.185 2.067 2.301 . 0 0 "[ . 1 . 2]" 1
167 1 26 PHE HB2 1 27 ASP H . . 5.020 4.112 3.830 4.341 . 0 0 "[ . 1 . 2]" 1
168 1 26 PHE HB3 1 27 ASP H . . 4.160 3.094 2.555 3.686 . 0 0 "[ . 1 . 2]" 1
169 1 27 ASP H 1 27 ASP HB2 . . 3.950 3.538 2.566 3.922 . 0 0 "[ . 1 . 2]" 1
170 1 27 ASP H 1 27 ASP QB . . 3.460 2.828 2.459 3.118 . 0 0 "[ . 1 . 2]" 1
171 1 27 ASP H 1 27 ASP HB3 . . 3.950 3.063 2.572 3.775 . 0 0 "[ . 1 . 2]" 1
172 1 27 ASP H 1 28 LEU H . . 4.820 4.276 4.156 4.423 . 0 0 "[ . 1 . 2]" 1
173 1 27 ASP H 1 28 LEU HA . . 5.350 4.686 4.484 4.879 . 0 0 "[ . 1 . 2]" 1
174 1 27 ASP HA 1 28 LEU H . . 3.150 2.165 2.069 2.289 . 0 0 "[ . 1 . 2]" 1
175 1 27 ASP HA 1 29 THR H . . 4.340 3.651 3.255 4.150 . 0 0 "[ . 1 . 2]" 1
176 1 27 ASP QB 1 28 LEU H . . 4.420 3.272 2.722 3.827 . 0 0 "[ . 1 . 2]" 1
177 1 27 ASP QB 1 29 THR H . . 5.340 3.099 2.671 3.901 . 0 0 "[ . 1 . 2]" 1
178 1 27 ASP HB2 1 28 LEU H . . 5.160 3.556 2.770 4.310 . 0 0 "[ . 1 . 2]" 1
179 1 27 ASP HB3 1 28 LEU H . . 5.160 4.101 3.457 4.310 . 0 0 "[ . 1 . 2]" 1
180 1 28 LEU H 1 28 LEU HB2 . . 3.580 2.655 2.492 2.793 . 0 0 "[ . 1 . 2]" 1
181 1 28 LEU H 1 28 LEU HG . . 4.410 3.323 2.795 4.391 . 0 0 "[ . 1 . 2]" 1
182 1 28 LEU H 1 29 THR H . . 3.450 2.349 1.943 2.682 . 0 0 "[ . 1 . 2]" 1
183 1 28 LEU HA 1 31 LEU HG . . 5.240 4.570 2.802 5.293 0.053 3 0 "[ . 1 . 2]" 1
184 1 28 LEU HG 1 29 THR H . . 5.500 5.069 4.768 5.677 0.177 19 0 "[ . 1 . 2]" 1
185 1 29 THR H 1 29 THR HB . . 3.800 2.697 2.417 3.671 . 0 0 "[ . 1 . 2]" 1
186 1 29 THR H 1 30 PRO HD2 . . 3.900 2.580 2.241 3.068 . 0 0 "[ . 1 . 2]" 1
187 1 29 THR H 1 30 PRO HD3 . . 3.780 3.151 2.545 3.620 . 0 0 "[ . 1 . 2]" 1
188 1 29 THR H 1 30 PRO QG . . 4.850 4.282 4.102 4.493 . 0 0 "[ . 1 . 2]" 1
189 1 29 THR HA 1 31 LEU H . . 4.320 3.878 3.720 4.035 . 0 0 "[ . 1 . 2]" 1
190 1 30 PRO QB 1 145 TYR QE . . 4.210 3.483 2.792 3.998 . 0 0 "[ . 1 . 2]" 1
191 1 30 PRO HB2 1 145 TYR QE . . 4.940 3.664 2.915 4.316 . 0 0 "[ . 1 . 2]" 1
192 1 30 PRO HB3 1 145 TYR QE . . 4.940 4.398 3.555 4.962 0.022 6 0 "[ . 1 . 2]" 1
193 1 30 PRO HD2 1 31 LEU H . . 4.130 3.034 2.578 3.386 . 0 0 "[ . 1 . 2]" 1
194 1 30 PRO HD2 1 32 THR H . . 5.500 4.894 4.482 5.242 . 0 0 "[ . 1 . 2]" 1
195 1 30 PRO HD3 1 31 LEU H . . 4.790 4.058 3.680 4.310 . 0 0 "[ . 1 . 2]" 1
196 1 30 PRO QG 1 145 TYR QE . . 3.750 2.971 2.213 3.498 . 0 0 "[ . 1 . 2]" 1
197 1 31 LEU H 1 31 LEU HB2 . . 3.390 2.362 2.273 2.536 . 0 0 "[ . 1 . 2]" 1
198 1 31 LEU H 1 31 LEU HB3 . . 3.480 3.352 2.717 3.583 0.103 2 0 "[ . 1 . 2]" 1
199 1 31 LEU H 1 31 LEU HG . . 4.440 3.754 2.390 4.410 . 0 0 "[ . 1 . 2]" 1
200 1 31 LEU H 1 37 TYR HH . . 5.500 5.175 4.696 5.540 0.040 10 0 "[ . 1 . 2]" 1
201 1 31 LEU H 1 50 VAL HB . . 5.340 4.866 4.279 5.474 0.134 7 0 "[ . 1 . 2]" 1
202 1 31 LEU HA 1 124 VAL HB . . 5.170 4.498 2.599 5.210 0.040 12 0 "[ . 1 . 2]" 1
203 1 31 LEU HB2 1 32 THR H . . 4.310 3.389 3.024 3.884 . 0 0 "[ . 1 . 2]" 1
204 1 31 LEU HB3 1 32 THR H . . 4.240 3.779 2.855 4.204 . 0 0 "[ . 1 . 2]" 1
205 1 31 LEU HB3 1 141 TRP HZ2 . . 4.360 3.291 2.339 4.516 0.156 1 0 "[ . 1 . 2]" 1
206 1 31 LEU HG 1 141 TRP HZ2 . . 5.500 4.275 3.539 5.520 0.020 2 0 "[ . 1 . 2]" 1
207 1 32 THR H 1 32 THR HB . . 3.230 2.481 2.352 2.555 . 0 0 "[ . 1 . 2]" 1
208 1 32 THR H 1 33 LYS H . . 4.680 4.544 4.398 4.628 . 0 0 "[ . 1 . 2]" 1
209 1 32 THR H 1 37 TYR QE . . 5.150 5.078 4.978 5.210 0.060 11 0 "[ . 1 . 2]" 1
210 1 32 THR H 1 50 VAL H . . 5.500 5.281 4.992 5.529 0.029 7 0 "[ . 1 . 2]" 1
211 1 32 THR HA 1 33 LYS H . . 3.200 2.219 2.143 2.283 . 0 0 "[ . 1 . 2]" 1
212 1 32 THR HA 1 37 TYR QE . . 4.360 3.365 2.955 3.889 . 0 0 "[ . 1 . 2]" 1
213 1 32 THR HA 1 50 VAL H . . 3.970 2.813 2.583 3.383 . 0 0 "[ . 1 . 2]" 1
214 1 32 THR HA 1 50 VAL HB . . 4.660 2.763 2.237 4.549 . 0 0 "[ . 1 . 2]" 1
215 1 32 THR HB 1 33 LYS H . . 4.240 4.163 4.061 4.268 0.028 10 0 "[ . 1 . 2]" 1
216 1 33 LYS H 1 33 LYS HB2 . . 4.110 2.614 2.517 2.739 . 0 0 "[ . 1 . 2]" 1
217 1 33 LYS H 1 33 LYS HB3 . . 3.740 3.740 3.679 3.790 0.050 16 0 "[ . 1 . 2]" 1
218 1 33 LYS H 1 33 LYS QD . . 4.910 4.344 4.084 4.610 . 0 0 "[ . 1 . 2]" 1
219 1 33 LYS H 1 35 ASP H . . 5.500 5.086 4.943 5.411 . 0 0 "[ . 1 . 2]" 1
220 1 33 LYS H 1 37 TYR HH . . 5.500 4.683 4.008 5.222 . 0 0 "[ . 1 . 2]" 1
221 1 33 LYS H 1 49 ASN HA . . 5.500 4.123 3.896 4.492 . 0 0 "[ . 1 . 2]" 1
222 1 33 LYS H 1 49 ASN QB . . 5.340 4.399 4.124 4.947 . 0 0 "[ . 1 . 2]" 1
223 1 33 LYS H 1 50 VAL H . . 4.540 3.561 3.342 4.209 . 0 0 "[ . 1 . 2]" 1
224 1 33 LYS HA 1 33 LYS QD . . 4.520 4.063 3.828 4.302 . 0 0 "[ . 1 . 2]" 1
225 1 33 LYS HA 1 33 LYS QE . . 5.040 4.570 3.800 5.085 0.045 9 0 "[ . 1 . 2]" 1
226 1 33 LYS HA 1 33 LYS HG3 . . 4.120 3.243 3.125 3.357 . 0 0 "[ . 1 . 2]" 1
227 1 33 LYS HB2 1 33 LYS QD . . 3.680 2.461 2.319 2.542 . 0 0 "[ . 1 . 2]" 1
228 1 33 LYS HB2 1 33 LYS QE . . 4.170 3.705 2.396 4.106 . 0 0 "[ . 1 . 2]" 1
229 1 33 LYS HB2 1 34 LYS H . . 4.390 3.891 3.658 4.065 . 0 0 "[ . 1 . 2]" 1
230 1 33 LYS HB2 1 35 ASP H . . 3.380 3.392 3.161 3.466 0.086 9 0 "[ . 1 . 2]" 1
231 1 33 LYS HB2 1 36 ALA H . . 4.120 2.243 1.831 2.433 . 0 0 "[ . 1 . 2]" 1
232 1 33 LYS HB2 1 36 ALA HA . . 5.500 2.421 2.110 2.643 . 0 0 "[ . 1 . 2]" 1
233 1 33 LYS HB2 1 37 TYR H . . 4.930 4.337 4.126 4.601 . 0 0 "[ . 1 . 2]" 1
234 1 33 LYS HB2 1 37 TYR QE . . 4.450 3.353 2.926 3.803 . 0 0 "[ . 1 . 2]" 1
235 1 33 LYS HB2 1 49 ASN HD21 . . 5.500 4.477 4.049 4.698 . 0 0 "[ . 1 . 2]" 1
236 1 33 LYS HB3 1 33 LYS QD . . 3.710 2.499 2.198 3.012 . 0 0 "[ . 1 . 2]" 1
237 1 33 LYS HB3 1 33 LYS QE . . 4.140 3.375 1.855 4.147 0.007 15 0 "[ . 1 . 2]" 1
238 1 33 LYS HB3 1 33 LYS HG2 . . 2.900 2.535 2.449 2.634 . 0 0 "[ . 1 . 2]" 1
239 1 33 LYS HB3 1 35 ASP H . . 5.150 2.373 2.150 2.816 . 0 0 "[ . 1 . 2]" 1
240 1 33 LYS HB3 1 37 TYR QE . . 4.980 4.643 4.315 4.913 . 0 0 "[ . 1 . 2]" 1
241 1 33 LYS QD 1 35 ASP H . . 4.890 4.271 3.797 4.887 . 0 0 "[ . 1 . 2]" 1
242 1 33 LYS QD 1 36 ALA H . . 4.220 3.771 3.229 4.238 0.018 17 0 "[ . 1 . 2]" 1
243 1 33 LYS QD 1 37 TYR H . . 5.340 4.363 3.687 4.776 . 0 0 "[ . 1 . 2]" 1
244 1 33 LYS QD 1 37 TYR QE . . 4.150 3.092 2.644 3.421 . 0 0 "[ . 1 . 2]" 1
245 1 33 LYS QE 1 33 LYS HG2 . . 3.590 2.616 2.352 2.930 . 0 0 "[ . 1 . 2]" 1
246 1 33 LYS QE 1 33 LYS HG3 . . 3.620 2.836 2.458 3.485 . 0 0 "[ . 1 . 2]" 1
247 1 33 LYS QE 1 37 TYR QE . . 4.100 3.319 2.613 4.319 0.219 7 0 "[ . 1 . 2]" 1
248 1 33 LYS HG2 1 35 ASP H . . 5.380 4.788 4.362 5.336 . 0 0 "[ . 1 . 2]" 1
249 1 33 LYS HG2 1 37 TYR QE . . 3.810 3.868 3.829 3.904 0.094 16 0 "[ . 1 . 2]" 1
250 1 33 LYS HG3 1 35 ASP H . . 5.500 5.269 5.091 5.508 0.008 9 0 "[ . 1 . 2]" 1
251 1 33 LYS HG3 1 37 TYR H . . 5.500 5.475 5.204 5.594 0.094 3 0 "[ . 1 . 2]" 1
252 1 33 LYS HG3 1 37 TYR QD . . 4.210 3.847 3.663 3.950 . 0 0 "[ . 1 . 2]" 1
253 1 33 LYS HG3 1 37 TYR QE . . 5.500 2.230 2.139 2.352 . 0 0 "[ . 1 . 2]" 1
254 1 34 LYS H 1 35 ASP H . . 4.670 2.407 2.304 2.501 . 0 0 "[ . 1 . 2]" 1
255 1 34 LYS H 1 36 ALA H . . 4.580 3.794 3.639 3.900 . 0 0 "[ . 1 . 2]" 1
256 1 34 LYS HA 1 34 LYS QD . . 4.850 4.132 1.965 4.529 . 0 0 "[ . 1 . 2]" 1
257 1 34 LYS HA 1 34 LYS QE . . 5.500 5.210 3.989 5.599 0.099 2 0 "[ . 1 . 2]" 1
258 1 34 LYS QB 1 34 LYS QD . . 2.940 2.161 2.068 2.366 . 0 0 "[ . 1 . 2]" 1
259 1 34 LYS QD 1 34 LYS QG . . 2.320 2.078 2.008 2.095 . 0 0 "[ . 1 . 2]" 1
260 1 34 LYS QG 1 35 ASP H . . 3.990 2.733 2.328 3.988 . 0 0 "[ . 1 . 2]" 1
261 1 35 ASP H 1 35 ASP QB . . 3.540 2.377 2.234 2.551 . 0 0 "[ . 1 . 2]" 1
262 1 35 ASP H 1 36 ALA H . . 3.850 2.232 2.141 2.366 . 0 0 "[ . 1 . 2]" 1
263 1 35 ASP QB 1 36 ALA H . . 3.570 3.074 2.844 3.259 . 0 0 "[ . 1 . 2]" 1
264 1 36 ALA H 1 36 ALA MB . . 3.480 2.920 2.883 2.961 . 0 0 "[ . 1 . 2]" 1
265 1 36 ALA H 1 37 TYR H . . 4.870 4.451 4.369 4.523 . 0 0 "[ . 1 . 2]" 1
266 1 36 ALA H 1 37 TYR QD . . 5.090 4.895 4.635 5.127 0.037 4 0 "[ . 1 . 2]" 1
267 1 36 ALA HA 1 37 TYR H . . 3.430 2.460 2.355 2.598 . 0 0 "[ . 1 . 2]" 1
268 1 36 ALA HA 1 37 TYR QD . . 4.880 2.998 2.846 3.256 . 0 0 "[ . 1 . 2]" 1
269 1 36 ALA HA 1 49 ASN HA . . 5.140 3.483 3.305 3.652 . 0 0 "[ . 1 . 2]" 1
270 1 36 ALA HA 1 49 ASN HB2 . . 5.500 3.238 2.885 3.794 . 0 0 "[ . 1 . 2]" 1
271 1 36 ALA HA 1 49 ASN QB . . 4.690 3.183 2.852 3.700 . 0 0 "[ . 1 . 2]" 1
272 1 36 ALA HA 1 49 ASN HB3 . . 5.500 4.729 4.428 5.185 . 0 0 "[ . 1 . 2]" 1
273 1 36 ALA HA 1 55 SER H . . 5.050 4.552 4.315 4.875 . 0 0 "[ . 1 . 2]" 1
274 1 36 ALA MB 1 37 TYR H . . 3.390 2.077 1.922 2.267 . 0 0 "[ . 1 . 2]" 1
275 1 36 ALA MB 1 47 HIS HA . . 4.740 4.200 3.922 4.510 . 0 0 "[ . 1 . 2]" 1
276 1 36 ALA MB 1 47 HIS HB2 . . 4.940 4.432 4.168 4.697 . 0 0 "[ . 1 . 2]" 1
277 1 36 ALA MB 1 47 HIS HB3 . . 3.800 3.094 2.834 3.382 . 0 0 "[ . 1 . 2]" 1
278 1 36 ALA MB 1 48 ILE H . . 4.290 3.389 3.186 3.649 . 0 0 "[ . 1 . 2]" 1
279 1 36 ALA MB 1 48 ILE HA . . 4.920 4.230 3.954 4.394 . 0 0 "[ . 1 . 2]" 1
280 1 36 ALA MB 1 49 ASN QB . . 4.850 2.382 2.101 2.898 . 0 0 "[ . 1 . 2]" 1
281 1 36 ALA MB 1 49 ASN HD21 . . 5.500 4.064 3.417 4.660 . 0 0 "[ . 1 . 2]" 1
282 1 36 ALA MB 1 54 VAL H . . 5.500 4.558 4.396 4.791 . 0 0 "[ . 1 . 2]" 1
283 1 36 ALA MB 1 54 VAL HA . . 4.440 2.099 1.929 2.344 . 0 0 "[ . 1 . 2]" 1
284 1 36 ALA MB 1 54 VAL HB . . 4.050 2.426 2.273 2.658 . 0 0 "[ . 1 . 2]" 1
285 1 36 ALA MB 1 55 SER H . . 4.350 2.117 1.953 2.302 . 0 0 "[ . 1 . 2]" 1
286 1 37 TYR H 1 37 TYR HB2 . . 3.810 2.405 2.331 2.470 . 0 0 "[ . 1 . 2]" 1
287 1 37 TYR H 1 37 TYR QD . . 3.450 2.336 2.224 2.491 . 0 0 "[ . 1 . 2]" 1
288 1 37 TYR H 1 37 TYR QE . . 4.420 4.494 4.459 4.544 0.124 10 0 "[ . 1 . 2]" 1
289 1 37 TYR H 1 49 ASN H . . 5.160 4.766 4.696 4.842 . 0 0 "[ . 1 . 2]" 1
290 1 37 TYR H 1 49 ASN HA . . 4.840 3.284 3.097 3.546 . 0 0 "[ . 1 . 2]" 1
291 1 37 TYR H 1 55 SER H . . 5.500 5.572 5.528 5.626 0.126 15 0 "[ . 1 . 2]" 1
292 1 37 TYR HA 1 37 TYR QD . . 4.070 3.080 2.915 3.135 . 0 0 "[ . 1 . 2]" 1
293 1 37 TYR HB2 1 38 LYS H . . 4.440 3.996 3.866 4.383 . 0 0 "[ . 1 . 2]" 1
294 1 37 TYR HB2 1 48 ILE H . . 4.270 3.091 2.873 3.373 . 0 0 "[ . 1 . 2]" 1
295 1 37 TYR HB2 1 48 ILE HB . . 4.810 2.850 2.571 3.068 . 0 0 "[ . 1 . 2]" 1
296 1 37 TYR HB2 1 127 PRO QG . . 4.630 2.707 2.544 3.025 . 0 0 "[ . 1 . 2]" 1
297 1 37 TYR HB3 1 38 LYS H . . 4.260 2.902 2.702 3.521 . 0 0 "[ . 1 . 2]" 1
298 1 37 TYR HB3 1 48 ILE H . . 5.350 4.166 4.055 4.386 . 0 0 "[ . 1 . 2]" 1
299 1 37 TYR HB3 1 48 ILE HB . . 5.300 4.051 3.859 4.241 . 0 0 "[ . 1 . 2]" 1
300 1 37 TYR HB3 1 127 PRO QG . . 4.370 2.420 2.159 2.634 . 0 0 "[ . 1 . 2]" 1
301 1 37 TYR QD 1 37 TYR HH . . 4.640 4.226 4.145 4.288 . 0 0 "[ . 1 . 2]" 1
302 1 37 TYR QD 1 38 LYS H . . 4.750 3.991 3.632 4.467 . 0 0 "[ . 1 . 2]" 1
303 1 37 TYR QD 1 48 ILE H . . 5.300 4.615 4.408 4.893 . 0 0 "[ . 1 . 2]" 1
304 1 37 TYR QD 1 49 ASN H . . 5.200 4.872 4.559 5.128 . 0 0 "[ . 1 . 2]" 1
305 1 37 TYR QD 1 49 ASN HA . . 3.520 2.434 2.186 2.674 . 0 0 "[ . 1 . 2]" 1
306 1 37 TYR QD 1 50 VAL H . . 4.590 3.885 3.543 4.181 . 0 0 "[ . 1 . 2]" 1
307 1 37 TYR QE 1 49 ASN HA . . 4.450 3.682 3.244 4.033 . 0 0 "[ . 1 . 2]" 1
308 1 37 TYR QE 1 50 VAL H . . 4.190 3.613 3.257 3.940 . 0 0 "[ . 1 . 2]" 1
309 1 37 TYR QE 1 50 VAL HB . . 5.470 4.679 4.286 5.020 . 0 0 "[ . 1 . 2]" 1
310 1 37 TYR QE 1 127 PRO HD2 . . 5.180 4.549 3.962 4.995 . 0 0 "[ . 1 . 2]" 1
311 1 37 TYR QE 1 127 PRO HD3 . . 4.870 3.855 3.464 4.127 . 0 0 "[ . 1 . 2]" 1
312 1 37 TYR QE 1 141 TRP HH2 . . 4.070 3.017 2.643 3.343 . 0 0 "[ . 1 . 2]" 1
313 1 37 TYR QE 1 141 TRP HZ2 . . 4.050 3.341 2.807 3.756 . 0 0 "[ . 1 . 2]" 1
314 1 38 LYS H 1 38 LYS QB . . 3.340 2.963 1.936 3.158 . 0 0 "[ . 1 . 2]" 1
315 1 38 LYS H 1 38 LYS QD . . 3.550 3.360 2.769 3.805 0.255 17 0 "[ . 1 . 2]" 1
316 1 38 LYS H 1 38 LYS QE . . 5.150 4.438 1.841 5.249 0.099 17 0 "[ . 1 . 2]" 1
317 1 38 LYS H 1 38 LYS QG . . 4.460 2.198 1.985 3.613 . 0 0 "[ . 1 . 2]" 1
318 1 38 LYS H 1 39 VAL H . . 4.780 4.280 4.047 4.419 . 0 0 "[ . 1 . 2]" 1
319 1 38 LYS H 1 47 HIS HA . . 5.500 4.761 4.628 4.949 . 0 0 "[ . 1 . 2]" 1
320 1 38 LYS H 1 126 PHE HZ . . 5.500 4.880 3.981 5.522 0.022 4 0 "[ . 1 . 2]" 1
321 1 38 LYS HA 1 38 LYS QE . . 5.340 4.005 3.144 4.543 . 0 0 "[ . 1 . 2]" 1
322 1 38 LYS HA 1 38 LYS HG2 . . 4.140 4.060 3.015 4.234 0.094 3 0 "[ . 1 . 2]" 1
323 1 38 LYS HA 1 38 LYS QG . . 3.620 3.368 2.523 3.496 . 0 0 "[ . 1 . 2]" 1
324 1 38 LYS HA 1 38 LYS HG3 . . 4.140 3.619 2.707 4.181 0.041 11 0 "[ . 1 . 2]" 1
325 1 38 LYS HA 1 39 VAL H . . 3.440 2.091 1.801 2.188 . 0 0 "[ . 1 . 2]" 1
326 1 38 LYS HA 1 47 HIS HA . . 4.150 2.424 2.222 2.742 . 0 0 "[ . 1 . 2]" 1
327 1 38 LYS QB 1 38 LYS QD . . 3.320 2.588 1.913 2.838 . 0 0 "[ . 1 . 2]" 1
328 1 38 LYS QB 1 38 LYS QE . . 4.120 2.014 1.831 3.325 . 0 0 "[ . 1 . 2]" 1
329 1 38 LYS QB 1 47 HIS HE1 . . 3.200 2.609 2.287 3.169 . 0 0 "[ . 1 . 2]" 1
330 1 38 LYS HB2 1 38 LYS HE2 . . 5.500 2.244 1.936 4.434 . 0 0 "[ . 1 . 2]" 1
331 1 38 LYS HB2 1 38 LYS HE3 . . 5.500 3.008 1.930 4.243 . 0 0 "[ . 1 . 2]" 1
332 1 38 LYS HB2 1 39 VAL H . . 5.190 3.130 2.684 4.019 . 0 0 "[ . 1 . 2]" 1
333 1 38 LYS HB3 1 38 LYS HE2 . . 5.500 3.410 1.966 3.905 . 0 0 "[ . 1 . 2]" 1
334 1 38 LYS HB3 1 38 LYS HE3 . . 5.500 3.695 2.634 4.382 . 0 0 "[ . 1 . 2]" 1
335 1 38 LYS HB3 1 39 VAL H . . 5.190 3.979 3.630 4.168 . 0 0 "[ . 1 . 2]" 1
336 1 38 LYS QE 1 39 VAL H . . 4.200 4.077 3.570 4.549 0.349 11 0 "[ . 1 . 2]" 1
337 1 38 LYS QE 1 47 HIS HE1 . . 4.120 3.713 2.315 4.212 0.092 2 0 "[ . 1 . 2]" 1
338 1 38 LYS HE2 1 47 HIS HE1 . . 4.770 4.320 2.665 4.825 0.055 17 0 "[ . 1 . 2]" 1
339 1 38 LYS HE3 1 47 HIS HE1 . . 4.770 4.162 2.542 4.846 0.076 11 0 "[ . 1 . 2]" 1
340 1 38 LYS QG 1 39 VAL H . . 4.760 4.365 2.581 4.772 0.012 3 0 "[ . 1 . 2]" 1
341 1 38 LYS QG 1 47 HIS HE1 . . 3.840 3.709 2.570 3.916 0.076 4 0 "[ . 1 . 2]" 1
342 1 38 LYS QG 1 126 PHE HZ . . 4.550 4.628 4.358 4.729 0.179 19 0 "[ . 1 . 2]" 1
343 1 39 VAL H 1 39 VAL HB . . 4.170 2.684 2.583 2.798 . 0 0 "[ . 1 . 2]" 1
344 1 39 VAL H 1 46 PHE H . . 3.620 2.868 2.640 3.101 . 0 0 "[ . 1 . 2]" 1
345 1 39 VAL HA 1 40 GLU H . . 2.990 2.247 2.155 2.340 . 0 0 "[ . 1 . 2]" 1
346 1 39 VAL HA 1 46 PHE H . . 5.220 4.554 4.433 4.667 . 0 0 "[ . 1 . 2]" 1
347 1 39 VAL HA 1 126 PHE HZ . . 4.910 2.739 2.099 3.658 . 0 0 "[ . 1 . 2]" 1
348 1 39 VAL HB 1 46 PHE H . . 4.030 2.813 2.405 3.101 . 0 0 "[ . 1 . 2]" 1
349 1 39 VAL HB 1 46 PHE HB2 . . 4.170 1.985 1.832 2.409 . 0 0 "[ . 1 . 2]" 1
350 1 39 VAL HB 1 46 PHE QB . . 3.570 1.977 1.826 2.394 . 0 0 "[ . 1 . 2]" 1
351 1 39 VAL HB 1 46 PHE HB3 . . 4.170 3.702 3.495 4.141 . 0 0 "[ . 1 . 2]" 1
352 1 39 VAL HB 1 139 PHE QE . . 4.820 3.116 2.668 3.884 . 0 0 "[ . 1 . 2]" 1
353 1 40 GLU H 1 40 GLU HB2 . . 4.070 3.619 2.579 3.909 . 0 0 "[ . 1 . 2]" 1
354 1 40 GLU H 1 40 GLU QB . . 3.240 2.946 2.316 3.168 . 0 0 "[ . 1 . 2]" 1
355 1 40 GLU H 1 40 GLU HB3 . . 4.070 3.250 2.383 3.748 . 0 0 "[ . 1 . 2]" 1
356 1 40 GLU H 1 40 GLU QG . . 3.630 2.481 2.171 3.764 0.134 2 0 "[ . 1 . 2]" 1
357 1 40 GLU H 1 46 PHE H . . 4.660 4.692 4.633 4.742 0.082 7 0 "[ . 1 . 2]" 1
358 1 40 GLU HA 1 40 GLU QG . . 3.730 3.183 2.432 3.553 . 0 0 "[ . 1 . 2]" 1
359 1 40 GLU HA 1 41 THR H . . 2.930 2.119 2.028 2.231 . 0 0 "[ . 1 . 2]" 1
360 1 40 GLU HA 1 45 GLU H . . 5.500 4.822 4.557 5.011 . 0 0 "[ . 1 . 2]" 1
361 1 40 GLU HA 1 46 PHE H . . 4.310 3.257 2.947 3.544 . 0 0 "[ . 1 . 2]" 1
362 1 40 GLU QB 1 41 THR H . . 3.880 2.901 2.515 3.748 . 0 0 "[ . 1 . 2]" 1
363 1 41 THR H 1 41 THR HB . . 3.980 3.762 3.479 3.861 . 0 0 "[ . 1 . 2]" 1
364 1 41 THR H 1 41 THR HG1 . . 5.200 2.251 2.006 4.643 . 0 0 "[ . 1 . 2]" 1
365 1 41 THR H 1 42 ASP H . . 4.800 4.302 4.232 4.353 . 0 0 "[ . 1 . 2]" 1
366 1 41 THR H 1 43 LYS H . . 5.500 4.331 4.071 4.788 . 0 0 "[ . 1 . 2]" 1
367 1 41 THR H 1 44 TYR H . . 4.090 3.565 3.362 3.791 . 0 0 "[ . 1 . 2]" 1
368 1 41 THR H 1 46 PHE QD . . 5.460 4.418 3.990 4.762 . 0 0 "[ . 1 . 2]" 1
369 1 41 THR H 1 46 PHE QE . . 5.180 4.400 3.963 4.831 . 0 0 "[ . 1 . 2]" 1
370 1 41 THR H 1 70 ARG HD2 . . 5.500 3.689 3.088 4.554 . 0 0 "[ . 1 . 2]" 1
371 1 41 THR H 1 70 ARG QD . . 4.750 3.291 2.926 4.041 . 0 0 "[ . 1 . 2]" 1
372 1 41 THR H 1 70 ARG HD3 . . 5.500 3.898 3.240 5.565 0.065 12 0 "[ . 1 . 2]" 1
373 1 41 THR HA 1 43 LYS H . . 5.500 4.190 3.959 4.504 . 0 0 "[ . 1 . 2]" 1
374 1 41 THR HB 1 42 ASP H . . 3.620 2.209 2.027 3.523 . 0 0 "[ . 1 . 2]" 1
375 1 41 THR HB 1 43 LYS H . . 4.760 2.737 2.388 4.377 . 0 0 "[ . 1 . 2]" 1
376 1 41 THR HB 1 44 TYR H . . 4.490 3.694 3.409 4.470 . 0 0 "[ . 1 . 2]" 1
377 1 41 THR HG1 1 43 LYS H . . 4.350 3.404 3.123 3.632 . 0 0 "[ . 1 . 2]" 1
378 1 41 THR HG1 1 44 TYR H . . 4.340 2.226 2.005 4.408 0.068 15 0 "[ . 1 . 2]" 1
379 1 42 ASP H 1 42 ASP QB . . 3.650 2.445 2.359 2.522 . 0 0 "[ . 1 . 2]" 1
380 1 42 ASP H 1 43 LYS H . . 4.960 2.431 2.347 2.559 . 0 0 "[ . 1 . 2]" 1
381 1 42 ASP H 1 44 TYR H . . 5.500 4.446 4.157 4.688 . 0 0 "[ . 1 . 2]" 1
382 1 43 LYS H 1 44 TYR H . . 3.600 2.561 2.286 2.687 . 0 0 "[ . 1 . 2]" 1
383 1 43 LYS H 1 44 TYR QD . . 5.280 4.791 4.385 5.010 . 0 0 "[ . 1 . 2]" 1
384 1 43 LYS HA 1 43 LYS QD . . 4.410 3.756 2.046 4.301 . 0 0 "[ . 1 . 2]" 1
385 1 43 LYS HA 1 43 LYS QE . . 5.360 4.228 2.948 5.120 . 0 0 "[ . 1 . 2]" 1
386 1 43 LYS QB 1 43 LYS QD . . 3.260 2.403 2.043 2.773 . 0 0 "[ . 1 . 2]" 1
387 1 43 LYS QB 1 43 LYS QE . . 4.020 2.177 1.943 3.594 . 0 0 "[ . 1 . 2]" 1
388 1 43 LYS QB 1 44 TYR H . . 3.880 2.271 1.837 2.837 . 0 0 "[ . 1 . 2]" 1
389 1 43 LYS QB 1 44 TYR QD . . 3.700 2.622 2.275 2.872 . 0 0 "[ . 1 . 2]" 1
390 1 43 LYS QB 1 44 TYR QE . . 3.810 2.987 2.743 3.097 . 0 0 "[ . 1 . 2]" 1
391 1 43 LYS HB2 1 43 LYS QE . . 4.860 2.657 1.973 3.802 . 0 0 "[ . 1 . 2]" 1
392 1 43 LYS HB2 1 44 TYR H . . 4.580 2.312 1.850 2.938 . 0 0 "[ . 1 . 2]" 1
393 1 43 LYS HB2 1 44 TYR QD . . 4.300 2.799 2.498 3.012 . 0 0 "[ . 1 . 2]" 1
394 1 43 LYS HB2 1 44 TYR QE . . 4.410 3.661 3.043 4.062 . 0 0 "[ . 1 . 2]" 1
395 1 43 LYS HB3 1 43 LYS QE . . 4.860 2.735 2.005 4.423 . 0 0 "[ . 1 . 2]" 1
396 1 43 LYS HB3 1 44 TYR H . . 4.580 3.374 3.011 3.750 . 0 0 "[ . 1 . 2]" 1
397 1 43 LYS HB3 1 44 TYR QD . . 4.300 3.229 2.423 3.674 . 0 0 "[ . 1 . 2]" 1
398 1 43 LYS HB3 1 44 TYR QE . . 4.410 3.213 2.789 3.483 . 0 0 "[ . 1 . 2]" 1
399 1 43 LYS QE 1 44 TYR H . . 5.130 4.430 3.528 5.234 0.104 17 0 "[ . 1 . 2]" 1
400 1 43 LYS QE 1 44 TYR QE . . 4.820 2.984 2.112 4.808 . 0 0 "[ . 1 . 2]" 1
401 1 44 TYR H 1 44 TYR HB2 . . 4.030 2.827 2.767 2.908 . 0 0 "[ . 1 . 2]" 1
402 1 44 TYR H 1 44 TYR QD . . 4.210 3.085 2.868 3.223 . 0 0 "[ . 1 . 2]" 1
403 1 44 TYR H 1 44 TYR QE . . 4.930 4.853 4.622 4.951 0.021 7 0 "[ . 1 . 2]" 1
404 1 44 TYR H 1 45 GLU H . . 4.860 4.398 4.339 4.447 . 0 0 "[ . 1 . 2]" 1
405 1 44 TYR H 1 70 ARG H . . 5.500 4.626 4.383 5.394 . 0 0 "[ . 1 . 2]" 1
406 1 44 TYR H 1 70 ARG QD . . 5.100 4.092 3.735 4.541 . 0 0 "[ . 1 . 2]" 1
407 1 44 TYR HA 1 44 TYR QD . . 3.580 2.889 2.761 3.099 . 0 0 "[ . 1 . 2]" 1
408 1 44 TYR HA 1 44 TYR QE . . 5.080 4.822 4.729 4.974 . 0 0 "[ . 1 . 2]" 1
409 1 44 TYR HA 1 45 GLU H . . 3.330 2.337 2.227 2.520 . 0 0 "[ . 1 . 2]" 1
410 1 44 TYR HA 1 70 ARG H . . 3.990 2.587 2.180 2.900 . 0 0 "[ . 1 . 2]" 1
411 1 44 TYR HA 1 70 ARG HB2 . . 4.410 4.002 3.253 4.412 0.002 12 0 "[ . 1 . 2]" 1
412 1 44 TYR HB2 1 45 GLU H . . 4.680 3.494 3.038 3.727 . 0 0 "[ . 1 . 2]" 1
413 1 44 TYR HB2 1 46 PHE QE . . 4.610 2.850 2.410 3.110 . 0 0 "[ . 1 . 2]" 1
414 1 44 TYR HB3 1 45 GLU H . . 4.570 2.556 2.278 2.748 . 0 0 "[ . 1 . 2]" 1
415 1 44 TYR HB3 1 70 ARG H . . 5.160 4.714 4.079 5.082 . 0 0 "[ . 1 . 2]" 1
416 1 44 TYR QD 1 45 GLU H . . 4.180 4.097 3.980 4.222 0.042 17 0 "[ . 1 . 2]" 1
417 1 44 TYR QD 1 67 GLN HB2 . . 4.280 3.629 3.395 3.840 . 0 0 "[ . 1 . 2]" 1
418 1 44 TYR QD 1 67 GLN HB3 . . 5.320 4.941 4.710 5.170 . 0 0 "[ . 1 . 2]" 1
419 1 44 TYR QD 1 67 GLN QG . . 5.340 3.830 3.495 4.208 . 0 0 "[ . 1 . 2]" 1
420 1 44 TYR QD 1 69 SER H . . 4.760 3.530 3.142 3.861 . 0 0 "[ . 1 . 2]" 1
421 1 44 TYR QD 1 69 SER HA . . 3.270 2.060 1.918 2.264 . 0 0 "[ . 1 . 2]" 1
422 1 44 TYR QD 1 69 SER QB . . 3.950 2.337 2.058 2.762 . 0 0 "[ . 1 . 2]" 1
423 1 44 TYR QD 1 70 ARG H . . 4.270 3.861 3.524 4.115 . 0 0 "[ . 1 . 2]" 1
424 1 44 TYR QD 1 76 TRP HZ3 . . 4.950 2.445 2.228 2.635 . 0 0 "[ . 1 . 2]" 1
425 1 44 TYR QD 1 129 TYR QE . . 4.860 4.057 3.041 4.513 . 0 0 "[ . 1 . 2]" 1
426 1 44 TYR QE 1 69 SER HA . . 4.450 3.931 3.684 4.175 . 0 0 "[ . 1 . 2]" 1
427 1 44 TYR QE 1 69 SER QB . . 3.770 2.651 2.295 3.066 . 0 0 "[ . 1 . 2]" 1
428 1 44 TYR QE 1 70 ARG H . . 5.260 5.216 4.808 5.294 0.034 8 0 "[ . 1 . 2]" 1
429 1 44 TYR QE 1 76 TRP HH2 . . 3.870 2.766 2.531 2.972 . 0 0 "[ . 1 . 2]" 1
430 1 44 TYR QE 1 76 TRP HZ2 . . 4.910 4.834 4.413 4.979 0.069 15 0 "[ . 1 . 2]" 1
431 1 44 TYR QE 1 129 TYR QE . . 4.700 4.568 3.589 4.786 0.086 15 0 "[ . 1 . 2]" 1
432 1 45 GLU H 1 45 GLU QB . . 3.550 2.900 2.389 3.126 . 0 0 "[ . 1 . 2]" 1
433 1 45 GLU H 1 45 GLU HG2 . . 3.850 2.677 2.195 3.879 0.029 12 0 "[ . 1 . 2]" 1
434 1 45 GLU H 1 45 GLU QG . . 3.300 2.394 2.141 2.798 . 0 0 "[ . 1 . 2]" 1
435 1 45 GLU H 1 45 GLU HG3 . . 3.850 2.983 2.774 3.083 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLU H 1 67 GLN HB3 . . 5.340 5.297 4.758 5.372 0.032 8 0 "[ . 1 . 2]" 1
437 1 45 GLU H 1 68 VAL H . . 3.880 2.794 2.647 2.933 . 0 0 "[ . 1 . 2]" 1
438 1 45 GLU H 1 70 ARG H . . 4.700 4.309 4.124 4.550 . 0 0 "[ . 1 . 2]" 1
439 1 45 GLU H 1 70 ARG QG . . 4.620 3.085 2.744 3.628 . 0 0 "[ . 1 . 2]" 1
440 1 45 GLU HA 1 46 PHE H . . 3.070 2.124 2.058 2.193 . 0 0 "[ . 1 . 2]" 1
441 1 45 GLU HA 1 46 PHE QD . . 4.630 3.302 2.957 3.733 . 0 0 "[ . 1 . 2]" 1
442 1 45 GLU QB 1 46 PHE H . . 3.970 2.993 2.845 3.118 . 0 0 "[ . 1 . 2]" 1
443 1 45 GLU QB 1 47 HIS HD2 . . 4.870 3.804 2.459 4.333 . 0 0 "[ . 1 . 2]" 1
444 1 45 GLU QB 1 68 VAL H . . 4.330 4.003 2.469 4.393 0.063 18 0 "[ . 1 . 2]" 1
445 1 45 GLU HB2 1 46 PHE H . . 4.630 3.266 2.925 4.122 . 0 0 "[ . 1 . 2]" 1
446 1 45 GLU HB3 1 46 PHE H . . 4.630 3.870 3.100 4.160 . 0 0 "[ . 1 . 2]" 1
447 1 45 GLU QG 1 47 HIS HD2 . . 4.500 3.319 2.855 4.642 0.142 4 0 "[ . 1 . 2]" 1
448 1 46 PHE H 1 46 PHE QB . . 3.580 2.545 2.468 2.610 . 0 0 "[ . 1 . 2]" 1
449 1 46 PHE H 1 46 PHE QD . . 4.130 2.506 2.339 2.778 . 0 0 "[ . 1 . 2]" 1
450 1 46 PHE H 1 46 PHE QE . . 4.900 4.522 4.372 4.741 . 0 0 "[ . 1 . 2]" 1
451 1 46 PHE HA 1 46 PHE QD . . 4.370 3.009 2.806 3.086 . 0 0 "[ . 1 . 2]" 1
452 1 46 PHE HA 1 46 PHE QE . . 4.940 4.750 4.671 4.820 . 0 0 "[ . 1 . 2]" 1
453 1 46 PHE HA 1 67 GLN HA . . 4.260 2.227 2.062 2.435 . 0 0 "[ . 1 . 2]" 1
454 1 46 PHE HA 1 68 VAL H . . 4.420 3.564 3.353 3.767 . 0 0 "[ . 1 . 2]" 1
455 1 46 PHE QB 1 47 HIS H . . 3.790 3.066 2.818 3.248 . 0 0 "[ . 1 . 2]" 1
456 1 46 PHE QB 1 139 PHE QD . . 4.690 4.438 4.263 4.698 0.008 17 0 "[ . 1 . 2]" 1
457 1 46 PHE QB 1 139 PHE QE . . 4.140 2.848 2.628 3.098 . 0 0 "[ . 1 . 2]" 1
458 1 46 PHE QB 1 139 PHE HZ . . 4.400 2.826 2.570 3.253 . 0 0 "[ . 1 . 2]" 1
459 1 46 PHE QD 1 47 HIS H . . 4.860 4.313 4.048 4.523 . 0 0 "[ . 1 . 2]" 1
460 1 46 PHE QD 1 67 GLN HB2 . . 4.380 3.526 2.977 3.910 . 0 0 "[ . 1 . 2]" 1
461 1 46 PHE QE 1 67 GLN HB2 . . 4.570 3.598 3.304 3.906 . 0 0 "[ . 1 . 2]" 1
462 1 46 PHE QE 1 67 GLN HB3 . . 5.090 3.000 2.610 3.404 . 0 0 "[ . 1 . 2]" 1
463 1 46 PHE QE 1 129 TYR QB . . 4.580 3.262 2.770 4.311 . 0 0 "[ . 1 . 2]" 1
464 1 47 HIS H 1 47 HIS HB2 . . 3.920 2.598 2.497 2.719 . 0 0 "[ . 1 . 2]" 1
465 1 47 HIS H 1 47 HIS HD2 . . 4.570 3.137 2.817 3.298 . 0 0 "[ . 1 . 2]" 1
466 1 47 HIS H 1 65 ALA HA . . 4.840 4.570 4.242 4.732 . 0 0 "[ . 1 . 2]" 1
467 1 47 HIS H 1 66 CYS H . . 3.890 2.911 2.760 3.043 . 0 0 "[ . 1 . 2]" 1
468 1 47 HIS H 1 66 CYS HB2 . . 5.300 5.344 5.219 5.377 0.077 12 0 "[ . 1 . 2]" 1
469 1 47 HIS H 1 66 CYS HB3 . . 4.470 4.038 3.741 4.162 . 0 0 "[ . 1 . 2]" 1
470 1 47 HIS H 1 67 GLN HA . . 4.560 3.256 3.015 3.606 . 0 0 "[ . 1 . 2]" 1
471 1 47 HIS HA 1 47 HIS HD2 . . 4.880 4.071 3.933 4.172 . 0 0 "[ . 1 . 2]" 1
472 1 47 HIS HA 1 48 ILE H . . 3.240 2.083 2.046 2.122 . 0 0 "[ . 1 . 2]" 1
473 1 47 HIS HB2 1 66 CYS H . . 4.730 3.466 3.221 3.708 . 0 0 "[ . 1 . 2]" 1
474 1 47 HIS HB3 1 48 ILE H . . 4.330 3.360 3.164 3.433 . 0 0 "[ . 1 . 2]" 1
475 1 47 HIS HB3 1 66 CYS H . . 5.170 4.642 4.388 4.870 . 0 0 "[ . 1 . 2]" 1
476 1 47 HIS HD2 1 68 VAL HB . . 5.500 4.131 3.608 4.950 . 0 0 "[ . 1 . 2]" 1
477 1 48 ILE H 1 48 ILE HB . . 4.020 2.729 2.668 2.785 . 0 0 "[ . 1 . 2]" 1
478 1 48 ILE H 1 48 ILE HG12 . . 4.860 3.828 3.749 3.909 . 0 0 "[ . 1 . 2]" 1
479 1 48 ILE H 1 49 ASN H . . 4.910 4.407 4.358 4.458 . 0 0 "[ . 1 . 2]" 1
480 1 48 ILE HA 1 49 ASN H . . 3.190 2.317 2.255 2.367 . 0 0 "[ . 1 . 2]" 1
481 1 48 ILE HA 1 65 ALA H . . 5.500 5.165 4.879 5.441 . 0 0 "[ . 1 . 2]" 1
482 1 48 ILE HA 1 65 ALA MB . . 4.630 3.416 3.176 3.812 . 0 0 "[ . 1 . 2]" 1
483 1 48 ILE HA 1 66 CYS H . . 4.400 3.904 3.734 4.081 . 0 0 "[ . 1 . 2]" 1
484 1 48 ILE HB 1 49 ASN H . . 4.050 3.729 3.566 3.893 . 0 0 "[ . 1 . 2]" 1
485 1 48 ILE HB 1 141 TRP HZ3 . . 5.100 3.358 2.801 3.890 . 0 0 "[ . 1 . 2]" 1
486 1 48 ILE HG12 1 49 ASN H . . 5.120 4.442 4.363 4.515 . 0 0 "[ . 1 . 2]" 1
487 1 48 ILE HG12 1 65 ALA HA . . 5.220 3.561 3.294 3.841 . 0 0 "[ . 1 . 2]" 1
488 1 49 ASN H 1 49 ASN HB2 . . 4.210 3.121 2.907 3.219 . 0 0 "[ . 1 . 2]" 1
489 1 49 ASN H 1 49 ASN HB3 . . 4.210 2.905 2.845 3.003 . 0 0 "[ . 1 . 2]" 1
490 1 49 ASN H 1 50 VAL H . . 4.630 4.279 4.233 4.337 . 0 0 "[ . 1 . 2]" 1
491 1 49 ASN H 1 64 GLY QA . . 5.330 4.238 3.758 4.617 . 0 0 "[ . 1 . 2]" 1
492 1 49 ASN H 1 65 ALA HA . . 4.300 4.150 3.882 4.327 0.027 6 0 "[ . 1 . 2]" 1
493 1 49 ASN H 1 96 TYR QE . . 4.400 3.120 2.535 3.588 . 0 0 "[ . 1 . 2]" 1
494 1 49 ASN HA 1 50 VAL H . . 3.280 2.365 2.320 2.413 . 0 0 "[ . 1 . 2]" 1
495 1 49 ASN QB 1 52 GLY H . . 5.120 5.098 4.740 5.218 0.098 5 0 "[ . 1 . 2]" 1
496 1 49 ASN QB 1 54 VAL H . . 4.870 4.251 4.139 4.440 . 0 0 "[ . 1 . 2]" 1
497 1 49 ASN QB 1 54 VAL HA . . 4.740 2.763 2.461 3.092 . 0 0 "[ . 1 . 2]" 1
498 1 49 ASN HB2 1 50 VAL H . . 4.480 4.087 3.993 4.156 . 0 0 "[ . 1 . 2]" 1
499 1 49 ASN HB2 1 54 VAL HA . . 5.490 2.837 2.520 3.147 . 0 0 "[ . 1 . 2]" 1
500 1 49 ASN HB3 1 50 VAL H . . 4.480 3.581 3.403 3.693 . 0 0 "[ . 1 . 2]" 1
501 1 49 ASN HB3 1 54 VAL HA . . 5.490 3.832 3.452 4.533 . 0 0 "[ . 1 . 2]" 1
502 1 49 ASN HD21 1 54 VAL HA . . 5.090 4.425 4.091 4.637 . 0 0 "[ . 1 . 2]" 1
503 1 49 ASN HD21 1 55 SER H . . 5.500 5.594 5.508 5.664 0.164 12 0 "[ . 1 . 2]" 1
504 1 50 VAL H 1 50 VAL HB . . 3.450 2.556 2.466 2.827 . 0 0 "[ . 1 . 2]" 1
505 1 50 VAL H 1 51 CYS H . . 4.760 2.442 2.302 2.668 . 0 0 "[ . 1 . 2]" 1
506 1 50 VAL HA 1 51 CYS H . . 3.330 3.362 3.309 3.418 0.088 1 0 "[ . 1 . 2]" 1
507 1 50 VAL HA 1 96 TYR HH . . 3.740 3.598 3.183 3.829 0.089 7 0 "[ . 1 . 2]" 1
508 1 50 VAL HB 1 51 CYS H . . 4.600 2.918 2.492 4.236 . 0 0 "[ . 1 . 2]" 1
509 1 51 CYS H 1 96 TYR HH . . 3.500 3.487 3.337 3.573 0.073 16 0 "[ . 1 . 2]" 1
510 1 51 CYS HA 1 83 ALA HA . . 4.160 2.609 2.138 3.677 . 0 0 "[ . 1 . 2]" 1
511 1 51 CYS QB 1 52 GLY H . . 4.110 2.878 2.668 2.969 . 0 0 "[ . 1 . 2]" 1
512 1 51 CYS QB 1 83 ALA HA . . 5.030 3.504 2.174 4.520 . 0 0 "[ . 1 . 2]" 1
513 1 51 CYS QB 1 83 ALA MB . . 3.630 2.483 1.920 3.062 . 0 0 "[ . 1 . 2]" 1
514 1 51 CYS HB2 1 83 ALA MB . . 4.300 3.769 1.942 4.374 0.074 16 0 "[ . 1 . 2]" 1
515 1 51 CYS HB3 1 83 ALA MB . . 4.300 2.601 2.046 3.129 . 0 0 "[ . 1 . 2]" 1
516 1 52 GLY H 1 83 ALA MB . . 5.410 3.019 2.452 3.939 . 0 0 "[ . 1 . 2]" 1
517 1 52 GLY H 1 96 TYR HH . . 4.380 3.919 3.281 4.426 0.046 5 0 "[ . 1 . 2]" 1
518 1 52 GLY HA2 1 53 PRO QD . . 3.590 2.571 2.317 2.814 . 0 0 "[ . 1 . 2]" 1
519 1 52 GLY HA3 1 53 PRO HD2 . . 4.070 2.560 2.308 2.787 . 0 0 "[ . 1 . 2]" 1
520 1 52 GLY HA3 1 53 PRO QD . . 3.560 2.089 1.916 2.288 . 0 0 "[ . 1 . 2]" 1
521 1 52 GLY HA3 1 53 PRO HD3 . . 4.070 2.251 1.967 2.750 . 0 0 "[ . 1 . 2]" 1
522 1 53 PRO HA 1 54 VAL H . . 3.320 2.318 2.240 2.408 . 0 0 "[ . 1 . 2]" 1
523 1 53 PRO HA 1 64 GLY QA . . 4.410 2.064 1.905 2.349 . 0 0 "[ . 1 . 2]" 1
524 1 53 PRO HA 1 81 SER HB2 . . 4.710 3.799 2.779 4.400 . 0 0 "[ . 1 . 2]" 1
525 1 53 PRO HA 1 81 SER HB3 . . 4.700 2.975 1.921 3.876 . 0 0 "[ . 1 . 2]" 1
526 1 53 PRO QB 1 54 VAL H . . 3.520 2.499 2.353 2.726 . 0 0 "[ . 1 . 2]" 1
527 1 53 PRO QB 1 62 ASP H . . 3.790 3.780 3.400 3.998 0.208 2 0 "[ . 1 . 2]" 1
528 1 53 PRO QB 1 62 ASP HA . . 4.200 2.574 2.113 3.232 . 0 0 "[ . 1 . 2]" 1
529 1 53 PRO QB 1 62 ASP QB . . 4.740 4.329 3.853 4.776 0.036 19 0 "[ . 1 . 2]" 1
530 1 53 PRO QB 1 63 SER H . . 4.100 3.256 2.958 3.645 . 0 0 "[ . 1 . 2]" 1
531 1 53 PRO QB 1 81 SER HB2 . . 5.190 3.814 3.041 4.414 . 0 0 "[ . 1 . 2]" 1
532 1 53 PRO HB2 1 54 VAL H . . 4.150 2.592 2.408 3.057 . 0 0 "[ . 1 . 2]" 1
533 1 53 PRO HB2 1 62 ASP HA . . 4.780 3.924 3.182 4.784 0.004 19 0 "[ . 1 . 2]" 1
534 1 53 PRO HB2 1 63 SER H . . 4.830 3.942 3.362 4.717 . 0 0 "[ . 1 . 2]" 1
535 1 53 PRO HB3 1 54 VAL H . . 4.150 3.371 3.046 3.605 . 0 0 "[ . 1 . 2]" 1
536 1 53 PRO HB3 1 62 ASP HA . . 4.780 2.612 2.132 3.287 . 0 0 "[ . 1 . 2]" 1
537 1 53 PRO HB3 1 63 SER H . . 4.830 3.505 3.088 4.087 . 0 0 "[ . 1 . 2]" 1
538 1 53 PRO HG2 1 62 ASP HA . . 5.440 4.813 3.522 5.455 0.015 13 0 "[ . 1 . 2]" 1
539 1 53 PRO HG3 1 62 ASP HA . . 5.440 3.648 2.761 4.227 . 0 0 "[ . 1 . 2]" 1
540 1 54 VAL H 1 55 SER H . . 4.540 4.458 4.386 4.511 . 0 0 "[ . 1 . 2]" 1
541 1 54 VAL H 1 63 SER H . . 5.500 3.959 3.608 4.264 . 0 0 "[ . 1 . 2]" 1
542 1 54 VAL H 1 63 SER QB . . 4.780 4.413 3.673 4.825 0.045 2 0 "[ . 1 . 2]" 1
543 1 54 VAL H 1 64 GLY QA . . 4.260 2.610 2.565 2.662 . 0 0 "[ . 1 . 2]" 1
544 1 54 VAL HA 1 55 SER H . . 3.250 2.224 2.097 2.349 . 0 0 "[ . 1 . 2]" 1
545 1 54 VAL HB 1 55 SER H . . 3.700 2.882 2.540 3.134 . 0 0 "[ . 1 . 2]" 1
546 1 54 VAL HB 1 56 VAL H . . 5.500 5.281 5.082 5.429 . 0 0 "[ . 1 . 2]" 1
547 1 55 SER H 1 55 SER HB2 . . 3.870 2.589 2.462 2.871 . 0 0 "[ . 1 . 2]" 1
548 1 55 SER H 1 55 SER HB3 . . 3.870 3.338 2.511 3.727 . 0 0 "[ . 1 . 2]" 1
549 1 55 SER H 1 56 VAL H . . 4.510 4.436 4.323 4.510 . 0 0 "[ . 1 . 2]" 1
550 1 55 SER HA 1 56 VAL H . . 3.070 2.143 2.092 2.192 . 0 0 "[ . 1 . 2]" 1
551 1 55 SER QB 1 56 VAL H . . 4.120 3.405 3.189 3.802 . 0 0 "[ . 1 . 2]" 1
552 1 55 SER HB2 1 56 VAL H . . 4.740 4.253 4.176 4.387 . 0 0 "[ . 1 . 2]" 1
553 1 55 SER HB3 1 56 VAL H . . 4.740 3.612 3.309 4.204 . 0 0 "[ . 1 . 2]" 1
554 1 56 VAL H 1 56 VAL HB . . 3.830 2.986 2.941 3.054 . 0 0 "[ . 1 . 2]" 1
555 1 56 VAL HB 1 59 CYS H . . 4.570 2.593 2.269 3.060 . 0 0 "[ . 1 . 2]" 1
556 1 57 GLY QA 1 59 CYS H . . 5.380 3.725 3.502 3.904 . 0 0 "[ . 1 . 2]" 1
557 1 58 ALA H 1 59 CYS H . . 4.320 2.264 1.581 2.781 . 0 0 "[ . 1 . 2]" 1
558 1 58 ALA MB 1 59 CYS H . . 4.080 3.436 3.128 3.548 . 0 0 "[ . 1 . 2]" 1
559 1 58 ALA MB 1 75 SER HB2 . . 4.670 3.784 2.962 4.676 0.006 18 0 "[ . 1 . 2]" 1
560 1 58 ALA MB 1 75 SER QB . . 4.080 3.053 2.275 3.843 . 0 0 "[ . 1 . 2]" 1
561 1 58 ALA MB 1 75 SER HB3 . . 4.670 3.237 2.364 4.086 . 0 0 "[ . 1 . 2]" 1
562 1 59 CYS CB 1 66 CYS SG . . 3.100 3.029 2.986 3.075 . 0 0 "[ . 1 . 2]" 1
563 1 59 CYS H 1 60 PRO HD2 . . 4.990 4.908 4.787 5.071 0.081 16 0 "[ . 1 . 2]" 1
564 1 59 CYS H 1 60 PRO HD3 . . 5.110 4.890 4.551 5.114 0.004 8 0 "[ . 1 . 2]" 1
565 1 59 CYS SG 1 66 CYS CB . . 3.100 3.038 3.013 3.078 . 0 0 "[ . 1 . 2]" 1
566 1 59 CYS SG 1 66 CYS SG . . 2.100 2.023 2.014 2.034 . 0 0 "[ . 1 . 2]" 1
567 1 60 PRO HA 1 61 PRO HD2 . . 3.790 2.517 2.210 3.065 . 0 0 "[ . 1 . 2]" 1
568 1 60 PRO HA 1 61 PRO HD3 . . 3.790 2.146 1.853 2.367 . 0 0 "[ . 1 . 2]" 1
569 1 60 PRO HB2 1 61 PRO HD2 . . 4.620 3.127 2.552 3.600 . 0 0 "[ . 1 . 2]" 1
570 1 60 PRO HB2 1 61 PRO QD . . 3.940 3.015 2.519 3.452 . 0 0 "[ . 1 . 2]" 1
571 1 60 PRO HB2 1 61 PRO HD3 . . 4.620 4.060 3.393 4.525 . 0 0 "[ . 1 . 2]" 1
572 1 60 PRO HB2 1 62 ASP H . . 4.970 2.612 2.317 3.341 . 0 0 "[ . 1 . 2]" 1
573 1 60 PRO HB2 1 63 SER H . . 5.460 3.690 3.115 4.418 . 0 0 "[ . 1 . 2]" 1
574 1 60 PRO HB3 1 61 PRO QD . . 4.220 3.180 2.566 3.550 . 0 0 "[ . 1 . 2]" 1
575 1 60 PRO HD3 1 77 ASN HD21 . . 5.500 4.953 3.837 5.589 0.089 20 0 "[ . 1 . 2]" 1
576 1 61 PRO HD2 1 62 ASP H . . 5.380 3.405 2.994 3.936 . 0 0 "[ . 1 . 2]" 1
577 1 61 PRO HD3 1 62 ASP H . . 5.380 4.230 4.064 4.490 . 0 0 "[ . 1 . 2]" 1
578 1 62 ASP H 1 62 ASP QB . . 3.660 2.633 2.251 3.096 . 0 0 "[ . 1 . 2]" 1
579 1 62 ASP H 1 63 SER H . . 3.520 1.968 1.814 3.054 . 0 0 "[ . 1 . 2]" 1
580 1 63 SER H 1 63 SER QB . . 3.280 2.622 2.239 2.954 . 0 0 "[ . 1 . 2]" 1
581 1 63 SER H 1 64 GLY H . . 5.260 4.476 4.382 4.576 . 0 0 "[ . 1 . 2]" 1
582 1 63 SER HA 1 64 GLY H . . 3.320 2.249 2.167 2.355 . 0 0 "[ . 1 . 2]" 1
583 1 63 SER HA 1 80 ARG QB . . 4.420 4.029 3.347 4.385 . 0 0 "[ . 1 . 2]" 1
584 1 63 SER HA 1 80 ARG QD . . 5.340 5.279 4.424 5.482 0.142 2 0 "[ . 1 . 2]" 1
585 1 63 SER QB 1 64 GLY H . . 4.390 3.171 2.837 3.831 . 0 0 "[ . 1 . 2]" 1
586 1 63 SER QB 1 65 ALA H . . 4.300 3.071 2.517 4.078 . 0 0 "[ . 1 . 2]" 1
587 1 63 SER QB 1 66 CYS HB2 . . 4.990 2.983 2.547 3.481 . 0 0 "[ . 1 . 2]" 1
588 1 63 SER QB 1 66 CYS HB3 . . 5.240 4.346 3.893 4.957 . 0 0 "[ . 1 . 2]" 1
589 1 64 GLY H 1 65 ALA H . . 3.490 2.169 2.053 2.307 . 0 0 "[ . 1 . 2]" 1
590 1 64 GLY H 1 65 ALA MB . . 5.500 4.090 4.020 4.248 . 0 0 "[ . 1 . 2]" 1
591 1 64 GLY H 1 80 ARG H . . 5.500 4.527 4.340 4.662 . 0 0 "[ . 1 . 2]" 1
592 1 64 GLY H 1 81 SER H . . 4.300 2.882 2.571 3.098 . 0 0 "[ . 1 . 2]" 1
593 1 64 GLY H 1 81 SER HA . . 5.050 3.080 2.640 3.527 . 0 0 "[ . 1 . 2]" 1
594 1 64 GLY H 1 81 SER HB2 . . 4.790 4.789 4.632 4.844 0.054 2 0 "[ . 1 . 2]" 1
595 1 64 GLY H 1 81 SER HB3 . . 5.460 4.287 3.429 5.283 . 0 0 "[ . 1 . 2]" 1
596 1 64 GLY H 1 96 TYR QD . . 5.500 4.117 3.375 5.023 . 0 0 "[ . 1 . 2]" 1
597 1 64 GLY H 1 96 TYR QE . . 5.500 4.403 3.720 5.185 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLY QA 1 81 SER HA . . 5.010 2.291 1.914 2.621 . 0 0 "[ . 1 . 2]" 1
599 1 64 GLY QA 1 81 SER HB2 . . 4.500 4.102 3.727 4.314 . 0 0 "[ . 1 . 2]" 1
600 1 64 GLY QA 1 81 SER HB3 . . 4.540 3.464 2.944 3.959 . 0 0 "[ . 1 . 2]" 1
601 1 64 GLY QA 1 82 ASN H . . 5.480 3.572 3.183 4.070 . 0 0 "[ . 1 . 2]" 1
602 1 64 GLY QA 1 96 TYR QD . . 5.270 3.496 2.946 4.191 . 0 0 "[ . 1 . 2]" 1
603 1 64 GLY QA 1 96 TYR QE . . 4.250 2.688 2.113 3.466 . 0 0 "[ . 1 . 2]" 1
604 1 65 ALA H 1 66 CYS H . . 5.500 4.065 3.993 4.139 . 0 0 "[ . 1 . 2]" 1
605 1 65 ALA H 1 78 LEU H . . 5.190 4.031 3.883 4.191 . 0 0 "[ . 1 . 2]" 1
606 1 65 ALA H 1 79 GLY H . . 5.220 3.739 3.436 3.982 . 0 0 "[ . 1 . 2]" 1
607 1 65 ALA H 1 96 TYR HB2 . . 5.500 5.262 4.794 5.518 0.018 14 0 "[ . 1 . 2]" 1
608 1 65 ALA H 1 96 TYR HB3 . . 5.400 4.539 3.945 4.898 . 0 0 "[ . 1 . 2]" 1
609 1 65 ALA H 1 96 TYR QD . . 5.490 4.497 4.227 4.675 . 0 0 "[ . 1 . 2]" 1
610 1 65 ALA H 1 96 TYR QE . . 4.920 4.951 4.746 5.031 0.111 19 0 "[ . 1 . 2]" 1
611 1 65 ALA HA 1 66 CYS H . . 3.300 2.178 2.146 2.231 . 0 0 "[ . 1 . 2]" 1
612 1 65 ALA HA 1 96 TYR QE . . 5.210 4.972 4.380 5.289 0.079 8 0 "[ . 1 . 2]" 1
613 1 65 ALA MB 1 66 CYS H . . 4.080 3.167 3.124 3.193 . 0 0 "[ . 1 . 2]" 1
614 1 65 ALA MB 1 96 TYR QD . . 3.900 2.636 2.009 3.136 . 0 0 "[ . 1 . 2]" 1
615 1 65 ALA MB 1 96 TYR QE . . 4.080 3.570 3.066 4.047 . 0 0 "[ . 1 . 2]" 1
616 1 65 ALA MB 1 112 THR HB . . 4.830 2.866 2.334 3.209 . 0 0 "[ . 1 . 2]" 1
617 1 66 CYS H 1 66 CYS HB3 . . 4.090 2.860 2.647 2.916 . 0 0 "[ . 1 . 2]" 1
618 1 66 CYS HA 1 67 GLN H . . 3.490 2.188 2.153 2.223 . 0 0 "[ . 1 . 2]" 1
619 1 66 CYS HA 1 78 LEU H . . 3.970 2.581 2.078 2.782 . 0 0 "[ . 1 . 2]" 1
620 1 66 CYS HA 1 78 LEU HG . . 4.370 4.278 3.092 4.534 0.164 10 0 "[ . 1 . 2]" 1
621 1 66 CYS HB2 1 67 GLN H . . 4.960 4.133 4.067 4.180 . 0 0 "[ . 1 . 2]" 1
622 1 66 CYS HB2 1 77 ASN HA . . 5.500 3.349 3.054 3.842 . 0 0 "[ . 1 . 2]" 1
623 1 66 CYS HB3 1 67 GLN H . . 4.640 4.056 3.981 4.297 . 0 0 "[ . 1 . 2]" 1
624 1 67 GLN H 1 67 GLN QG . . 4.100 2.262 2.155 2.610 . 0 0 "[ . 1 . 2]" 1
625 1 67 GLN H 1 75 SER HA . . 5.500 4.714 4.501 4.844 . 0 0 "[ . 1 . 2]" 1
626 1 67 GLN H 1 75 SER QB . . 5.270 4.616 4.265 4.958 . 0 0 "[ . 1 . 2]" 1
627 1 67 GLN H 1 76 TRP H . . 4.170 3.010 2.885 3.129 . 0 0 "[ . 1 . 2]" 1
628 1 67 GLN H 1 76 TRP HA . . 5.500 4.926 4.801 5.187 . 0 0 "[ . 1 . 2]" 1
629 1 67 GLN H 1 76 TRP HB3 . . 5.390 5.008 4.709 5.339 . 0 0 "[ . 1 . 2]" 1
630 1 67 GLN H 1 76 TRP HE3 . . 5.500 4.531 4.348 4.755 . 0 0 "[ . 1 . 2]" 1
631 1 67 GLN H 1 78 LEU HG . . 4.380 4.092 2.812 4.440 0.060 5 0 "[ . 1 . 2]" 1
632 1 67 GLN HA 1 68 VAL H . . 3.290 2.095 2.027 2.129 . 0 0 "[ . 1 . 2]" 1
633 1 67 GLN HB2 1 68 VAL H . . 4.310 2.990 2.875 3.098 . 0 0 "[ . 1 . 2]" 1
634 1 67 GLN HB2 1 76 TRP H . . 5.080 4.820 4.619 4.952 . 0 0 "[ . 1 . 2]" 1
635 1 67 GLN HB2 1 76 TRP HB2 . . 5.310 5.078 4.800 5.358 0.048 6 0 "[ . 1 . 2]" 1
636 1 67 GLN HB2 1 76 TRP HE3 . . 4.320 4.024 3.813 4.165 . 0 0 "[ . 1 . 2]" 1
637 1 67 GLN HB2 1 76 TRP HZ3 . . 4.720 4.756 4.724 4.812 0.092 5 0 "[ . 1 . 2]" 1
638 1 67 GLN HB3 1 68 VAL H . . 4.870 3.992 3.585 4.083 . 0 0 "[ . 1 . 2]" 1
639 1 67 GLN HB3 1 76 TRP HE3 . . 5.500 4.825 4.638 5.519 0.019 6 0 "[ . 1 . 2]" 1
640 1 67 GLN QG 1 76 TRP H . . 4.980 2.806 2.549 4.439 . 0 0 "[ . 1 . 2]" 1
641 1 67 GLN QG 1 76 TRP HB2 . . 4.790 2.437 2.165 3.973 . 0 0 "[ . 1 . 2]" 1
642 1 67 GLN QG 1 76 TRP HE3 . . 4.600 1.977 1.812 4.070 . 0 0 "[ . 1 . 2]" 1
643 1 68 VAL H 1 68 VAL HB . . 3.760 2.655 2.577 3.192 . 0 0 "[ . 1 . 2]" 1
644 1 68 VAL HA 1 69 SER H . . 3.180 2.129 2.056 2.154 . 0 0 "[ . 1 . 2]" 1
645 1 68 VAL HA 1 75 SER H . . 5.390 4.804 4.553 5.119 . 0 0 "[ . 1 . 2]" 1
646 1 68 VAL HA 1 75 SER HA . . 4.000 2.313 2.098 2.519 . 0 0 "[ . 1 . 2]" 1
647 1 68 VAL HA 1 75 SER HB2 . . 5.100 3.768 3.244 4.886 . 0 0 "[ . 1 . 2]" 1
648 1 68 VAL HA 1 75 SER HB3 . . 5.100 3.024 2.365 3.738 . 0 0 "[ . 1 . 2]" 1
649 1 68 VAL HA 1 76 TRP H . . 4.720 3.725 3.419 3.900 . 0 0 "[ . 1 . 2]" 1
650 1 68 VAL HA 1 76 TRP HE3 . . 5.100 4.416 3.670 5.100 . 7 0 "[ . 1 . 2]" 1
651 1 69 SER H 1 69 SER QB . . 3.220 2.265 2.213 2.319 . 0 0 "[ . 1 . 2]" 1
652 1 69 SER H 1 74 LYS H . . 4.470 3.491 3.155 3.815 . 0 0 "[ . 1 . 2]" 1
653 1 69 SER H 1 74 LYS HB2 . . 5.050 4.281 3.720 4.610 . 0 0 "[ . 1 . 2]" 1
654 1 69 SER H 1 74 LYS HB3 . . 5.500 5.058 4.615 5.252 . 0 0 "[ . 1 . 2]" 1
655 1 69 SER H 1 75 SER HA . . 4.380 3.047 2.859 3.222 . 0 0 "[ . 1 . 2]" 1
656 1 69 SER H 1 75 SER QB . . 5.240 4.082 3.563 4.821 . 0 0 "[ . 1 . 2]" 1
657 1 69 SER H 1 76 TRP HH2 . . 5.430 4.988 4.335 5.441 0.011 7 0 "[ . 1 . 2]" 1
658 1 69 SER H 1 76 TRP HZ3 . . 4.490 3.453 2.628 4.249 . 0 0 "[ . 1 . 2]" 1
659 1 69 SER HA 1 70 ARG H . . 3.250 2.138 2.094 2.198 . 0 0 "[ . 1 . 2]" 1
660 1 69 SER HA 1 71 SER H . . 5.500 3.740 3.544 3.942 . 0 0 "[ . 1 . 2]" 1
661 1 69 SER HA 1 76 TRP HZ3 . . 4.850 3.720 3.438 4.007 . 0 0 "[ . 1 . 2]" 1
662 1 69 SER QB 1 70 ARG H . . 4.190 3.557 3.417 3.646 . 0 0 "[ . 1 . 2]" 1
663 1 69 SER QB 1 74 LYS H . . 3.510 1.833 1.694 2.152 . 0 0 "[ . 1 . 2]" 1
664 1 69 SER QB 1 74 LYS HB2 . . 4.570 3.053 2.557 3.291 . 0 0 "[ . 1 . 2]" 1
665 1 69 SER QB 1 74 LYS HB3 . . 4.480 4.339 3.943 4.524 0.044 1 0 "[ . 1 . 2]" 1
666 1 69 SER QB 1 74 LYS HG3 . . 4.850 4.113 3.746 4.409 . 0 0 "[ . 1 . 2]" 1
667 1 69 SER QB 1 76 TRP HE3 . . 4.560 3.946 3.693 4.251 . 0 0 "[ . 1 . 2]" 1
668 1 69 SER QB 1 76 TRP HH2 . . 3.650 2.792 2.472 3.101 . 0 0 "[ . 1 . 2]" 1
669 1 69 SER QB 1 76 TRP HZ2 . . 5.110 4.766 4.514 5.104 . 0 0 "[ . 1 . 2]" 1
670 1 69 SER QB 1 76 TRP HZ3 . . 4.090 1.946 1.822 2.152 . 0 0 "[ . 1 . 2]" 1
671 1 70 ARG H 1 70 ARG HB2 . . 3.260 2.512 2.406 2.616 . 0 0 "[ . 1 . 2]" 1
672 1 70 ARG H 1 70 ARG HB3 . . 4.070 3.655 3.604 3.727 . 0 0 "[ . 1 . 2]" 1
673 1 70 ARG H 1 70 ARG HD2 . . 5.350 4.728 4.075 4.999 . 0 0 "[ . 1 . 2]" 1
674 1 70 ARG H 1 70 ARG QD . . 4.580 3.935 3.831 4.124 . 0 0 "[ . 1 . 2]" 1
675 1 70 ARG H 1 70 ARG HD3 . . 5.350 4.263 4.016 4.917 . 0 0 "[ . 1 . 2]" 1
676 1 70 ARG HA 1 70 ARG HD2 . . 5.500 4.831 4.651 4.972 . 0 0 "[ . 1 . 2]" 1
677 1 70 ARG HA 1 70 ARG QD . . 4.700 4.213 4.021 4.283 . 0 0 "[ . 1 . 2]" 1
678 1 70 ARG HA 1 70 ARG HD3 . . 5.500 4.641 4.367 4.720 . 0 0 "[ . 1 . 2]" 1
679 1 70 ARG HA 1 70 ARG QG . . 3.670 2.451 2.364 2.550 . 0 0 "[ . 1 . 2]" 1
680 1 70 ARG HB2 1 70 ARG HD2 . . 3.740 3.578 2.531 3.724 . 0 0 "[ . 1 . 2]" 1
681 1 70 ARG HB2 1 70 ARG QD . . 3.270 2.452 2.389 2.495 . 0 0 "[ . 1 . 2]" 1
682 1 70 ARG HB2 1 70 ARG HD3 . . 3.740 2.540 2.457 2.945 . 0 0 "[ . 1 . 2]" 1
683 1 70 ARG HB2 1 71 SER H . . 5.500 2.860 2.543 3.054 . 0 0 "[ . 1 . 2]" 1
684 1 72 ASP HB2 1 73 ARG H . . 5.500 3.863 3.230 4.284 . 0 0 "[ . 1 . 2]" 1
685 1 72 ASP HB3 1 73 ARG H . . 5.500 3.662 3.234 4.368 . 0 0 "[ . 1 . 2]" 1
686 1 73 ARG H 1 73 ARG QD . . 4.260 3.589 2.218 4.523 0.263 7 0 "[ . 1 . 2]" 1
687 1 73 ARG H 1 73 ARG QG . . 3.980 2.880 2.387 3.955 . 0 0 "[ . 1 . 2]" 1
688 1 73 ARG HA 1 73 ARG QD . . 4.280 3.174 1.944 4.151 . 0 0 "[ . 1 . 2]" 1
689 1 73 ARG HA 1 73 ARG HG2 . . 4.080 2.890 2.410 3.720 . 0 0 "[ . 1 . 2]" 1
690 1 73 ARG HA 1 73 ARG QG . . 3.420 2.496 2.273 3.006 . 0 0 "[ . 1 . 2]" 1
691 1 73 ARG HA 1 73 ARG HG3 . . 4.080 3.022 2.342 3.750 . 0 0 "[ . 1 . 2]" 1
692 1 73 ARG QG 1 74 LYS H . . 4.730 4.625 4.435 4.868 0.138 17 0 "[ . 1 . 2]" 1
693 1 74 LYS H 1 74 LYS HB2 . . 3.580 2.467 2.367 2.529 . 0 0 "[ . 1 . 2]" 1
694 1 74 LYS H 1 74 LYS HB3 . . 3.970 3.660 3.598 3.717 . 0 0 "[ . 1 . 2]" 1
695 1 74 LYS H 1 74 LYS QD . . 4.670 4.021 3.790 4.268 . 0 0 "[ . 1 . 2]" 1
696 1 74 LYS H 1 74 LYS QE . . 4.930 4.839 4.374 5.051 0.121 8 0 "[ . 1 . 2]" 1
697 1 74 LYS H 1 74 LYS HG2 . . 4.130 3.830 3.543 3.973 . 0 0 "[ . 1 . 2]" 1
698 1 74 LYS H 1 74 LYS HG3 . . 4.500 2.694 2.393 2.870 . 0 0 "[ . 1 . 2]" 1
699 1 74 LYS H 1 76 TRP HH2 . . 4.680 4.129 3.840 4.543 . 0 0 "[ . 1 . 2]" 1
700 1 74 LYS HA 1 74 LYS QD . . 4.410 3.987 3.713 4.163 . 0 0 "[ . 1 . 2]" 1
701 1 74 LYS HA 1 74 LYS HE2 . . 5.500 5.183 4.297 5.717 0.217 18 0 "[ . 1 . 2]" 1
702 1 74 LYS HA 1 74 LYS HE3 . . 5.500 5.043 4.160 5.360 . 0 0 "[ . 1 . 2]" 1
703 1 74 LYS HA 1 75 SER H . . 2.870 2.455 2.258 2.638 . 0 0 "[ . 1 . 2]" 1
704 1 74 LYS HB2 1 74 LYS QD . . 2.620 2.350 2.290 2.478 . 0 0 "[ . 1 . 2]" 1
705 1 74 LYS HB2 1 74 LYS QE . . 4.300 3.791 2.849 4.088 . 0 0 "[ . 1 . 2]" 1
706 1 74 LYS HB2 1 75 SER H . . 4.380 3.419 3.170 3.810 . 0 0 "[ . 1 . 2]" 1
707 1 74 LYS HB2 1 76 TRP HH2 . . 4.280 2.847 2.464 3.258 . 0 0 "[ . 1 . 2]" 1
708 1 74 LYS HB3 1 74 LYS QD . . 3.500 2.421 2.178 2.846 . 0 0 "[ . 1 . 2]" 1
709 1 74 LYS HB3 1 74 LYS QE . . 4.550 3.618 1.900 3.990 . 0 0 "[ . 1 . 2]" 1
710 1 74 LYS HB3 1 75 SER H . . 3.840 2.164 1.861 2.614 . 0 0 "[ . 1 . 2]" 1
711 1 74 LYS HB3 1 76 TRP HH2 . . 4.660 4.282 3.698 4.672 0.012 2 0 "[ . 1 . 2]" 1
712 1 74 LYS HB3 1 76 TRP HZ2 . . 4.740 3.843 3.437 4.574 . 0 0 "[ . 1 . 2]" 1
713 1 74 LYS QD 1 75 SER H . . 4.490 4.279 3.627 4.585 0.095 3 0 "[ . 1 . 2]" 1
714 1 74 LYS QD 1 76 TRP HH2 . . 4.250 3.343 2.721 3.850 . 0 0 "[ . 1 . 2]" 1
715 1 74 LYS QD 1 76 TRP HZ2 . . 3.900 2.485 1.929 3.032 . 0 0 "[ . 1 . 2]" 1
716 1 74 LYS QE 1 76 TRP HZ2 . . 5.100 4.257 2.977 5.102 0.002 5 0 "[ . 1 . 2]" 1
717 1 74 LYS HG2 1 75 SER H . . 4.490 3.848 3.737 4.039 . 0 0 "[ . 1 . 2]" 1
718 1 74 LYS HG3 1 75 SER H . . 4.570 4.643 4.581 4.710 0.140 13 0 "[ . 1 . 2]" 1
719 1 75 SER H 1 75 SER QB . . 3.700 3.072 2.691 3.209 . 0 0 "[ . 1 . 2]" 1
720 1 75 SER HA 1 76 TRP H . . 3.440 2.222 2.180 2.277 . 0 0 "[ . 1 . 2]" 1
721 1 75 SER HA 1 76 TRP HE3 . . 4.530 3.394 2.928 3.868 . 0 0 "[ . 1 . 2]" 1
722 1 75 SER HA 1 76 TRP HZ3 . . 5.060 4.329 3.793 4.865 . 0 0 "[ . 1 . 2]" 1
723 1 75 SER QB 1 76 TRP H . . 3.810 2.864 2.747 2.939 . 0 0 "[ . 1 . 2]" 1
724 1 75 SER HB2 1 76 TRP H . . 4.650 3.088 2.803 3.989 . 0 0 "[ . 1 . 2]" 1
725 1 75 SER HB3 1 76 TRP H . . 4.650 3.802 2.961 4.046 . 0 0 "[ . 1 . 2]" 1
726 1 76 TRP H 1 76 TRP HE3 . . 4.210 2.945 2.595 3.346 . 0 0 "[ . 1 . 2]" 1
727 1 76 TRP HA 1 76 TRP HD1 . . 3.770 3.272 3.070 3.577 . 0 0 "[ . 1 . 2]" 1
728 1 76 TRP HA 1 77 ASN H . . 3.240 2.125 1.866 2.394 . 0 0 "[ . 1 . 2]" 1
729 1 76 TRP HB2 1 76 TRP HZ3 . . 5.040 4.825 4.699 4.920 . 0 0 "[ . 1 . 2]" 1
730 1 76 TRP HB2 1 100 THR HB . . 4.330 4.211 3.831 4.389 0.059 20 0 "[ . 1 . 2]" 1
731 1 76 TRP HB3 1 76 TRP HD1 . . 3.770 2.702 2.607 2.784 . 0 0 "[ . 1 . 2]" 1
732 1 76 TRP HB3 1 77 ASN H . . 5.240 2.624 2.381 2.860 . 0 0 "[ . 1 . 2]" 1
733 1 76 TRP HB3 1 100 THR HB . . 4.780 2.516 2.125 2.716 . 0 0 "[ . 1 . 2]" 1
734 1 76 TRP HD1 1 100 THR HB . . 3.910 3.190 2.614 3.594 . 0 0 "[ . 1 . 2]" 1
735 1 76 TRP HE1 1 102 TYR QB . . 5.330 5.314 4.900 5.504 0.174 4 0 "[ . 1 . 2]" 1
736 1 77 ASN H 1 77 ASN QB . . 3.490 2.239 2.012 2.509 . 0 0 "[ . 1 . 2]" 1
737 1 77 ASN H 1 78 LEU H . . 5.410 4.445 4.379 4.531 . 0 0 "[ . 1 . 2]" 1
738 1 77 ASN H 1 100 THR H . . 4.480 3.325 3.040 3.771 . 0 0 "[ . 1 . 2]" 1
739 1 77 ASN H 1 100 THR HB . . 4.240 2.926 2.513 3.584 . 0 0 "[ . 1 . 2]" 1
740 1 77 ASN HA 1 78 LEU H . . 3.300 2.214 2.067 2.303 . 0 0 "[ . 1 . 2]" 1
741 1 77 ASN HA 1 100 THR H . . 5.430 4.516 4.214 4.780 . 0 0 "[ . 1 . 2]" 1
742 1 77 ASN QB 1 99 GLY QA . . 4.410 2.900 2.415 3.697 . 0 0 "[ . 1 . 2]" 1
743 1 77 ASN QB 1 100 THR H . . 4.050 2.620 2.207 3.152 . 0 0 "[ . 1 . 2]" 1
744 1 77 ASN HB2 1 100 THR H . . 4.750 3.729 2.244 4.762 0.012 20 0 "[ . 1 . 2]" 1
745 1 77 ASN HB3 1 100 THR H . . 4.750 3.032 2.219 4.215 . 0 0 "[ . 1 . 2]" 1
746 1 77 ASN HD21 1 80 ARG HA . . 5.280 4.178 3.314 5.408 0.128 4 0 "[ . 1 . 2]" 1
747 1 78 LEU H 1 78 LEU QB . . 3.610 2.535 2.244 2.743 . 0 0 "[ . 1 . 2]" 1
748 1 78 LEU H 1 78 LEU HG . . 3.760 3.501 2.662 3.817 0.057 10 0 "[ . 1 . 2]" 1
749 1 78 LEU H 1 79 GLY H . . 3.720 2.167 2.070 2.317 . 0 0 "[ . 1 . 2]" 1
750 1 78 LEU HA 1 112 THR H . . 5.500 5.493 5.281 5.584 0.084 6 0 "[ . 1 . 2]" 1
751 1 78 LEU QB 1 110 ARG HE . . 5.340 5.087 3.435 5.433 0.093 15 0 "[ . 1 . 2]" 1
752 1 78 LEU HG 1 102 TYR QE . . 5.500 5.311 4.500 5.719 0.219 11 0 "[ . 1 . 2]" 1
753 1 78 LEU HG 1 110 ARG HE . . 5.260 4.477 3.556 5.438 0.178 9 0 "[ . 1 . 2]" 1
754 1 79 GLY H 1 80 ARG H . . 4.640 3.916 3.674 4.100 . 0 0 "[ . 1 . 2]" 1
755 1 79 GLY H 1 99 GLY H . . 5.230 4.699 4.306 5.258 0.028 9 0 "[ . 1 . 2]" 1
756 1 79 GLY H 1 99 GLY QA . . 4.720 2.778 2.443 3.155 . 0 0 "[ . 1 . 2]" 1
757 1 79 GLY H 1 100 THR H . . 5.500 4.306 4.023 4.560 . 0 0 "[ . 1 . 2]" 1
758 1 79 GLY HA2 1 80 ARG H . . 3.370 2.090 1.955 2.242 . 0 0 "[ . 1 . 2]" 1
759 1 79 GLY HA2 1 99 GLY H . . 4.120 2.799 2.611 3.046 . 0 0 "[ . 1 . 2]" 1
760 1 79 GLY HA2 1 99 GLY QA . . 4.280 2.508 2.114 2.736 . 0 0 "[ . 1 . 2]" 1
761 1 79 GLY HA3 1 96 TYR H . . 5.500 5.015 4.693 5.296 . 0 0 "[ . 1 . 2]" 1
762 1 79 GLY HA3 1 96 TYR HB2 . . 4.160 3.076 2.637 3.409 . 0 0 "[ . 1 . 2]" 1
763 1 79 GLY HA3 1 97 ARG H . . 5.500 3.641 3.163 4.058 . 0 0 "[ . 1 . 2]" 1
764 1 79 GLY HA3 1 111 ALA HA . . 4.940 4.069 3.559 4.578 . 0 0 "[ . 1 . 2]" 1
765 1 79 GLY HA3 1 112 THR H . . 5.090 4.187 3.826 4.655 . 0 0 "[ . 1 . 2]" 1
766 1 80 ARG H 1 80 ARG QB . . 3.360 2.263 2.082 2.669 . 0 0 "[ . 1 . 2]" 1
767 1 80 ARG H 1 80 ARG QD . . 4.750 4.273 3.358 4.787 0.037 19 0 "[ . 1 . 2]" 1
768 1 80 ARG H 1 80 ARG QG . . 4.500 3.643 2.061 3.983 . 0 0 "[ . 1 . 2]" 1
769 1 80 ARG H 1 97 ARG HA . . 5.500 4.695 4.399 5.131 . 0 0 "[ . 1 . 2]" 1
770 1 80 ARG H 1 99 GLY H . . 5.180 4.040 3.759 4.447 . 0 0 "[ . 1 . 2]" 1
771 1 80 ARG H 1 99 GLY QA . . 5.340 3.671 3.312 4.029 . 0 0 "[ . 1 . 2]" 1
772 1 80 ARG HA 1 80 ARG QD . . 4.900 3.985 3.661 4.271 . 0 0 "[ . 1 . 2]" 1
773 1 80 ARG HA 1 81 SER H . . 3.310 2.322 2.147 2.477 . 0 0 "[ . 1 . 2]" 1
774 1 80 ARG QB 1 80 ARG QD . . 3.160 2.132 1.941 2.345 . 0 0 "[ . 1 . 2]" 1
775 1 80 ARG QB 1 81 SER H . . 4.060 3.394 2.587 3.653 . 0 0 "[ . 1 . 2]" 1
776 1 80 ARG QB 1 98 ASP HB2 . . 5.180 3.119 2.121 5.229 0.049 2 0 "[ . 1 . 2]" 1
777 1 80 ARG QB 1 98 ASP HB3 . . 4.970 2.589 1.838 3.637 . 0 0 "[ . 1 . 2]" 1
778 1 80 ARG QG 1 81 SER H . . 5.120 2.625 2.204 4.424 . 0 0 "[ . 1 . 2]" 1
779 1 80 ARG QG 1 98 ASP HB2 . . 4.790 4.506 3.504 4.916 0.126 6 0 "[ . 1 . 2]" 1
780 1 80 ARG QG 1 98 ASP HB3 . . 4.930 4.026 2.065 4.956 0.026 15 0 "[ . 1 . 2]" 1
781 1 81 SER H 1 81 SER HB2 . . 3.790 2.989 2.398 3.568 . 0 0 "[ . 1 . 2]" 1
782 1 81 SER HA 1 82 ASN H . . 3.270 2.105 2.000 2.181 . 0 0 "[ . 1 . 2]" 1
783 1 81 SER HA 1 96 TYR QD . . 4.960 3.341 2.735 3.833 . 0 0 "[ . 1 . 2]" 1
784 1 81 SER HB2 1 82 ASN H . . 4.190 3.547 2.761 4.237 0.047 4 0 "[ . 1 . 2]" 1
785 1 81 SER HB3 1 82 ASN H . . 3.800 3.593 3.091 3.896 0.096 18 0 "[ . 1 . 2]" 1
786 1 81 SER HB3 1 96 TYR QE . . 4.480 4.299 3.864 4.556 0.076 17 0 "[ . 1 . 2]" 1
787 1 82 ASN H 1 82 ASN HD21 . . 5.500 4.911 3.894 5.732 0.232 2 0 "[ . 1 . 2]" 1
788 1 82 ASN H 1 83 ALA H . . 5.260 4.179 3.933 4.301 . 0 0 "[ . 1 . 2]" 1
789 1 82 ASN H 1 96 TYR QD . . 4.390 3.160 2.031 3.588 . 0 0 "[ . 1 . 2]" 1
790 1 82 ASN H 1 96 TYR HH . . 5.250 4.283 3.348 4.915 . 0 0 "[ . 1 . 2]" 1
791 1 82 ASN HA 1 83 ALA H . . 3.450 2.360 1.939 2.636 . 0 0 "[ . 1 . 2]" 1
792 1 82 ASN QB 1 83 ALA H . . 3.460 2.982 2.187 3.589 0.129 4 0 "[ . 1 . 2]" 1
793 1 82 ASN QB 1 84 LYS H . . 4.060 3.272 2.641 3.880 . 0 0 "[ . 1 . 2]" 1
794 1 82 ASN HB2 1 83 ALA H . . 3.990 3.205 2.205 4.023 0.033 16 0 "[ . 1 . 2]" 1
795 1 82 ASN HB2 1 84 LYS H . . 4.790 3.638 2.667 4.769 . 0 0 "[ . 1 . 2]" 1
796 1 82 ASN HB3 1 83 ALA H . . 3.990 3.892 3.643 4.110 0.120 4 0 "[ . 1 . 2]" 1
797 1 82 ASN HB3 1 84 LYS H . . 4.790 4.206 3.745 4.630 . 0 0 "[ . 1 . 2]" 1
798 1 82 ASN HD21 1 95 THR H . . 5.500 4.086 3.539 4.780 . 0 0 "[ . 1 . 2]" 1
799 1 82 ASN HD21 1 96 TYR HA . . 4.420 3.100 1.816 4.451 0.031 16 0 "[ . 1 . 2]" 1
800 1 82 ASN HD21 1 96 TYR QD . . 4.690 3.944 2.864 4.816 0.126 3 0 "[ . 1 . 2]" 1
801 1 82 ASN HD21 1 97 ARG H . . 5.120 4.239 3.164 5.201 0.081 13 0 "[ . 1 . 2]" 1
802 1 83 ALA H 1 83 ALA MB . . 3.570 2.458 2.260 2.585 . 0 0 "[ . 1 . 2]" 1
803 1 83 ALA H 1 84 LYS H . . 3.650 2.455 1.974 3.100 . 0 0 "[ . 1 . 2]" 1
804 1 83 ALA MB 1 84 LYS H . . 4.730 3.581 3.372 3.700 . 0 0 "[ . 1 . 2]" 1
805 1 84 LYS H 1 84 LYS QB . . 3.270 2.289 1.998 2.521 . 0 0 "[ . 1 . 2]" 1
806 1 84 LYS H 1 84 LYS QD . . 3.760 3.452 2.322 4.014 0.254 2 0 "[ . 1 . 2]" 1
807 1 84 LYS H 1 85 LEU H . . 5.370 4.298 4.197 4.441 . 0 0 "[ . 1 . 2]" 1
808 1 84 LYS HA 1 84 LYS HD2 . . 4.700 3.566 1.880 4.755 0.055 1 0 "[ . 1 . 2]" 1
809 1 84 LYS HA 1 84 LYS HD3 . . 4.700 3.688 1.821 4.810 0.110 2 0 "[ . 1 . 2]" 1
810 1 84 LYS HA 1 84 LYS QE . . 5.500 4.265 3.139 5.031 . 0 0 "[ . 1 . 2]" 1
811 1 84 LYS HA 1 85 LEU H . . 3.530 2.114 1.985 2.221 . 0 0 "[ . 1 . 2]" 1
812 1 84 LYS QB 1 84 LYS QD . . 2.830 2.310 1.984 2.570 . 0 0 "[ . 1 . 2]" 1
813 1 85 LEU H 1 85 LEU HB3 . . 3.740 3.631 3.580 3.684 . 0 0 "[ . 1 . 2]" 1
814 1 85 LEU H 1 85 LEU HG . . 5.060 3.073 2.507 4.400 . 0 0 "[ . 1 . 2]" 1
815 1 85 LEU HA 1 86 SER H . . 3.540 2.225 2.100 2.338 . 0 0 "[ . 1 . 2]" 1
816 1 85 LEU HA 1 95 THR H . . 3.840 3.796 3.287 3.977 0.137 15 0 "[ . 1 . 2]" 1
817 1 85 LEU HB2 1 86 SER H . . 4.350 3.996 3.773 4.235 . 0 0 "[ . 1 . 2]" 1
818 1 85 LEU HB3 1 86 SER H . . 4.560 2.935 2.603 3.287 . 0 0 "[ . 1 . 2]" 1
819 1 86 SER H 1 86 SER QB . . 3.600 2.558 2.441 2.826 . 0 0 "[ . 1 . 2]" 1
820 1 86 SER H 1 93 GLN H . . 3.940 3.006 2.567 3.343 . 0 0 "[ . 1 . 2]" 1
821 1 86 SER H 1 93 GLN QB . . 5.170 3.543 3.005 3.875 . 0 0 "[ . 1 . 2]" 1
822 1 86 SER H 1 94 LEU HA . . 4.100 3.260 2.848 3.701 . 0 0 "[ . 1 . 2]" 1
823 1 86 SER HA 1 87 TYR H . . 3.180 2.326 2.130 2.520 . 0 0 "[ . 1 . 2]" 1
824 1 86 SER QB 1 87 TYR H . . 3.690 2.780 2.323 3.292 . 0 0 "[ . 1 . 2]" 1
825 1 86 SER QB 1 93 GLN H . . 4.350 3.376 3.013 3.718 . 0 0 "[ . 1 . 2]" 1
826 1 87 TYR H 1 87 TYR HB2 . . 4.080 2.884 2.536 3.115 . 0 0 "[ . 1 . 2]" 1
827 1 87 TYR H 1 87 TYR HB3 . . 3.720 2.683 2.448 2.837 . 0 0 "[ . 1 . 2]" 1
828 1 87 TYR H 1 87 TYR QD . . 4.730 4.338 4.160 4.444 . 0 0 "[ . 1 . 2]" 1
829 1 87 TYR H 1 88 TYR H . . 5.420 4.192 4.095 4.329 . 0 0 "[ . 1 . 2]" 1
830 1 87 TYR HA 1 87 TYR QD . . 3.650 2.495 2.206 2.820 . 0 0 "[ . 1 . 2]" 1
831 1 87 TYR HA 1 87 TYR QE . . 5.220 4.431 4.209 4.603 . 0 0 "[ . 1 . 2]" 1
832 1 87 TYR HA 1 88 TYR H . . 3.210 2.133 2.046 2.198 . 0 0 "[ . 1 . 2]" 1
833 1 87 TYR HA 1 92 ILE HA . . 3.740 2.271 2.112 2.416 . 0 0 "[ . 1 . 2]" 1
834 1 87 TYR HA 1 93 GLN H . . 4.330 2.977 2.640 3.201 . 0 0 "[ . 1 . 2]" 1
835 1 87 TYR QD 1 88 TYR H . . 4.210 3.609 3.212 3.987 . 0 0 "[ . 1 . 2]" 1
836 1 87 TYR QD 1 90 GLY HA2 . . 5.170 4.101 3.743 4.675 . 0 0 "[ . 1 . 2]" 1
837 1 87 TYR QD 1 92 ILE HA . . 4.400 2.388 2.140 2.593 . 0 0 "[ . 1 . 2]" 1
838 1 87 TYR QD 1 92 ILE HB . . 5.240 4.294 3.999 4.541 . 0 0 "[ . 1 . 2]" 1
839 1 87 TYR QD 1 92 ILE HG12 . . 3.740 3.169 1.920 3.837 0.097 20 0 "[ . 1 . 2]" 1
840 1 87 TYR QD 1 93 GLN H . . 5.500 4.225 4.060 4.375 . 0 0 "[ . 1 . 2]" 1
841 1 87 TYR QE 1 88 TYR H . . 5.500 4.826 4.393 5.210 . 0 0 "[ . 1 . 2]" 1
842 1 87 TYR QE 1 90 GLY H . . 4.590 3.563 2.445 4.610 0.020 11 0 "[ . 1 . 2]" 1
843 1 87 TYR QE 1 90 GLY HA2 . . 4.090 2.522 2.014 2.904 . 0 0 "[ . 1 . 2]" 1
844 1 87 TYR QE 1 90 GLY HA3 . . 4.610 3.902 3.652 4.166 . 0 0 "[ . 1 . 2]" 1
845 1 87 TYR QE 1 91 MET H . . 4.950 4.162 3.627 4.591 . 0 0 "[ . 1 . 2]" 1
846 1 87 TYR QE 1 92 ILE HB . . 4.650 4.796 4.698 4.892 0.242 16 0 "[ . 1 . 2]" 1
847 1 87 TYR QE 1 92 ILE HG12 . . 5.390 3.871 3.159 4.620 . 0 0 "[ . 1 . 2]" 1
848 1 88 TYR H 1 88 TYR QD . . 5.000 4.200 3.373 4.343 . 0 0 "[ . 1 . 2]" 1
849 1 88 TYR H 1 91 MET H . . 4.000 3.458 2.830 4.106 0.106 16 0 "[ . 1 . 2]" 1
850 1 88 TYR H 1 91 MET QB . . 5.090 3.737 3.445 4.103 . 0 0 "[ . 1 . 2]" 1
851 1 88 TYR H 1 92 ILE HA . . 4.610 3.352 3.064 3.644 . 0 0 "[ . 1 . 2]" 1
852 1 88 TYR HA 1 88 TYR QD . . 3.870 2.627 2.305 3.059 . 0 0 "[ . 1 . 2]" 1
853 1 88 TYR HA 1 89 ASP H . . 3.400 2.786 2.096 3.472 0.072 12 0 "[ . 1 . 2]" 1
854 1 88 TYR QB 1 89 ASP H . . 4.420 2.916 1.770 3.974 . 0 0 "[ . 1 . 2]" 1
855 1 88 TYR QB 1 91 MET H . . 4.830 3.403 2.484 4.064 . 0 0 "[ . 1 . 2]" 1
856 1 88 TYR HB2 1 89 ASP H . . 5.090 3.879 3.021 4.541 . 0 0 "[ . 1 . 2]" 1
857 1 88 TYR HB2 1 91 MET H . . 5.500 4.867 3.141 5.488 . 0 0 "[ . 1 . 2]" 1
858 1 88 TYR HB3 1 89 ASP H . . 5.090 3.104 1.782 4.439 . 0 0 "[ . 1 . 2]" 1
859 1 88 TYR HB3 1 91 MET H . . 5.500 3.520 2.513 4.188 . 0 0 "[ . 1 . 2]" 1
860 1 88 TYR QD 1 89 ASP H . . 4.690 3.240 2.404 4.474 . 0 0 "[ . 1 . 2]" 1
861 1 88 TYR QD 1 91 MET QB . . 4.340 3.558 2.846 4.375 0.035 15 0 "[ . 1 . 2]" 1
862 1 88 TYR QD 1 91 MET ME . . 4.390 2.484 1.913 4.037 . 0 0 "[ . 1 . 2]" 1
863 1 89 ASP H 1 90 GLY H . . 4.150 3.318 1.795 4.064 . 0 0 "[ . 1 . 2]" 1
864 1 89 ASP HB2 1 90 GLY H . . 5.500 4.070 2.580 4.583 . 0 0 "[ . 1 . 2]" 1
865 1 89 ASP HB3 1 90 GLY H . . 5.500 3.697 2.008 4.488 . 0 0 "[ . 1 . 2]" 1
866 1 90 GLY H 1 91 MET H . . 3.650 2.327 1.612 3.463 . 0 0 "[ . 1 . 2]" 1
867 1 91 MET H 1 91 MET QB . . 3.520 2.543 2.385 2.797 . 0 0 "[ . 1 . 2]" 1
868 1 91 MET H 1 91 MET ME . . 4.880 3.450 2.291 4.140 . 0 0 "[ . 1 . 2]" 1
869 1 91 MET H 1 91 MET QG . . 3.660 3.054 2.366 3.673 0.013 14 0 "[ . 1 . 2]" 1
870 1 91 MET HA 1 92 ILE H . . 3.370 2.143 1.992 2.228 . 0 0 "[ . 1 . 2]" 1
871 1 91 MET QB 1 92 ILE H . . 4.300 3.146 2.872 3.489 . 0 0 "[ . 1 . 2]" 1
872 1 91 MET HB2 1 92 ILE H . . 5.080 4.158 3.962 4.357 . 0 0 "[ . 1 . 2]" 1
873 1 91 MET HB3 1 92 ILE H . . 5.080 3.261 2.944 3.672 . 0 0 "[ . 1 . 2]" 1
874 1 91 MET QG 1 92 ILE H . . 4.600 4.161 4.012 4.330 . 0 0 "[ . 1 . 2]" 1
875 1 92 ILE H 1 92 ILE HB . . 3.740 2.435 2.236 2.612 . 0 0 "[ . 1 . 2]" 1
876 1 92 ILE H 1 92 ILE HG12 . . 4.890 3.920 3.660 4.105 . 0 0 "[ . 1 . 2]" 1
877 1 92 ILE H 1 93 GLN H . . 5.240 4.493 4.386 4.571 . 0 0 "[ . 1 . 2]" 1
878 1 92 ILE H 1 116 PHE H . . 4.430 3.733 3.146 4.226 . 0 0 "[ . 1 . 2]" 1
879 1 92 ILE H 1 116 PHE HB2 . . 5.010 2.885 2.394 3.413 . 0 0 "[ . 1 . 2]" 1
880 1 92 ILE H 1 116 PHE HB3 . . 4.920 4.291 3.383 4.949 0.029 4 0 "[ . 1 . 2]" 1
881 1 92 ILE HA 1 93 GLN H . . 3.200 2.158 2.088 2.223 . 0 0 "[ . 1 . 2]" 1
882 1 92 ILE HB 1 93 GLN H . . 4.990 4.024 3.928 4.164 . 0 0 "[ . 1 . 2]" 1
883 1 92 ILE HB 1 116 PHE H . . 4.670 3.738 3.249 4.092 . 0 0 "[ . 1 . 2]" 1
884 1 92 ILE HB 1 116 PHE HB2 . . 4.450 2.093 1.770 2.574 . 0 0 "[ . 1 . 2]" 1
885 1 92 ILE HG12 1 93 GLN H . . 4.980 4.678 3.979 5.019 0.039 17 0 "[ . 1 . 2]" 1
886 1 92 ILE HG12 1 116 PHE QD . . 4.480 4.607 4.529 4.687 0.207 7 0 "[ . 1 . 2]" 1
887 1 93 GLN H 1 93 GLN QB . . 3.780 2.634 2.435 2.806 . 0 0 "[ . 1 . 2]" 1
888 1 93 GLN H 1 93 GLN QG . . 4.340 2.877 2.530 3.274 . 0 0 "[ . 1 . 2]" 1
889 1 93 GLN H 1 94 LEU H . . 5.060 4.284 4.127 4.405 . 0 0 "[ . 1 . 2]" 1
890 1 93 GLN HA 1 93 GLN HE21 . . 5.500 5.448 3.287 5.680 0.180 12 0 "[ . 1 . 2]" 1
891 1 93 GLN HA 1 94 LEU H . . 3.200 2.203 2.007 2.537 . 0 0 "[ . 1 . 2]" 1
892 1 93 GLN HA 1 116 PHE H . . 4.690 3.101 2.608 3.448 . 0 0 "[ . 1 . 2]" 1
893 1 93 GLN HA 1 116 PHE QD . . 4.560 3.052 2.398 3.973 . 0 0 "[ . 1 . 2]" 1
894 1 93 GLN QB 1 94 LEU H . . 3.900 2.701 2.140 3.237 . 0 0 "[ . 1 . 2]" 1
895 1 93 GLN HE21 1 113 LEU HG . . 5.500 4.636 3.330 5.583 0.083 14 0 "[ . 1 . 2]" 1
896 1 93 GLN HE21 1 115 THR HA . . 5.500 5.177 2.023 5.587 0.087 15 0 "[ . 1 . 2]" 1
897 1 93 GLN QG 1 94 LEU H . . 4.270 3.957 3.337 4.373 0.103 7 0 "[ . 1 . 2]" 1
898 1 93 GLN QG 1 115 THR HA . . 4.390 2.578 1.921 4.165 . 0 0 "[ . 1 . 2]" 1
899 1 93 GLN QG 1 116 PHE H . . 5.000 3.679 2.986 4.782 . 0 0 "[ . 1 . 2]" 1
900 1 93 GLN HG2 1 94 LEU H . . 4.980 4.185 3.450 4.877 . 0 0 "[ . 1 . 2]" 1
901 1 93 GLN HG2 1 115 THR HA . . 5.230 2.626 1.933 4.493 . 0 0 "[ . 1 . 2]" 1
902 1 93 GLN HG3 1 94 LEU H . . 4.980 4.900 4.438 5.049 0.069 17 0 "[ . 1 . 2]" 1
903 1 93 GLN HG3 1 115 THR HA . . 5.230 3.980 2.959 4.924 . 0 0 "[ . 1 . 2]" 1
904 1 94 LEU H 1 94 LEU HB2 . . 4.060 2.920 2.375 3.263 . 0 0 "[ . 1 . 2]" 1
905 1 94 LEU H 1 94 LEU QB . . 3.500 2.427 2.258 2.591 . 0 0 "[ . 1 . 2]" 1
906 1 94 LEU H 1 94 LEU HB3 . . 4.060 2.650 2.469 2.914 . 0 0 "[ . 1 . 2]" 1
907 1 94 LEU H 1 114 ILE H . . 3.950 2.697 2.530 2.885 . 0 0 "[ . 1 . 2]" 1
908 1 94 LEU H 1 114 ILE HB . . 5.290 2.948 2.667 3.237 . 0 0 "[ . 1 . 2]" 1
909 1 94 LEU H 1 116 PHE QD . . 5.240 4.026 3.446 4.643 . 0 0 "[ . 1 . 2]" 1
910 1 94 LEU H 1 116 PHE QE . . 4.770 3.381 2.848 4.076 . 0 0 "[ . 1 . 2]" 1
911 1 94 LEU HA 1 95 THR H . . 3.150 2.222 2.062 2.377 . 0 0 "[ . 1 . 2]" 1
912 1 94 LEU QB 1 95 THR H . . 4.170 3.673 3.444 3.789 . 0 0 "[ . 1 . 2]" 1
913 1 94 LEU QB 1 113 LEU HA . . 4.490 4.163 3.735 4.489 . 0 0 "[ . 1 . 2]" 1
914 1 94 LEU QB 1 114 ILE H . . 4.670 2.661 2.342 2.864 . 0 0 "[ . 1 . 2]" 1
915 1 94 LEU QB 1 116 PHE QE . . 4.160 2.000 1.800 2.522 . 0 0 "[ . 1 . 2]" 1
916 1 94 LEU HG 1 95 THR H . . 4.920 3.498 2.707 4.370 . 0 0 "[ . 1 . 2]" 1
917 1 94 LEU HG 1 96 TYR QE . . 5.260 3.708 2.489 4.679 . 0 0 "[ . 1 . 2]" 1
918 1 95 THR H 1 113 LEU HA . . 5.030 4.745 4.612 4.937 . 0 0 "[ . 1 . 2]" 1
919 1 95 THR HA 1 96 TYR H . . 3.100 2.092 2.045 2.156 . 0 0 "[ . 1 . 2]" 1
920 1 95 THR HA 1 96 TYR QD . . 4.930 4.526 3.998 5.013 0.083 16 0 "[ . 1 . 2]" 1
921 1 95 THR HA 1 113 LEU HA . . 4.070 2.400 2.231 2.726 . 0 0 "[ . 1 . 2]" 1
922 1 95 THR HA 1 113 LEU QB . . 5.120 3.432 3.092 4.266 . 0 0 "[ . 1 . 2]" 1
923 1 95 THR HA 1 114 ILE H . . 4.250 3.676 3.433 3.954 . 0 0 "[ . 1 . 2]" 1
924 1 95 THR HB 1 96 TYR H . . 4.770 4.248 4.137 4.314 . 0 0 "[ . 1 . 2]" 1
925 1 96 TYR H 1 96 TYR HB2 . . 4.090 2.506 2.409 2.582 . 0 0 "[ . 1 . 2]" 1
926 1 96 TYR H 1 96 TYR QD . . 4.670 3.292 2.980 3.752 . 0 0 "[ . 1 . 2]" 1
927 1 96 TYR H 1 97 ARG H . . 4.940 4.375 4.146 4.500 . 0 0 "[ . 1 . 2]" 1
928 1 96 TYR H 1 112 THR H . . 3.420 2.994 2.819 3.327 . 0 0 "[ . 1 . 2]" 1
929 1 96 TYR H 1 112 THR HB . . 4.320 3.239 2.794 3.755 . 0 0 "[ . 1 . 2]" 1
930 1 96 TYR H 1 113 LEU HA . . 3.330 3.381 3.329 3.437 0.107 5 0 "[ . 1 . 2]" 1
931 1 96 TYR H 1 113 LEU QB . . 5.260 4.377 4.075 5.235 . 0 0 "[ . 1 . 2]" 1
932 1 96 TYR HA 1 96 TYR QD . . 3.580 2.472 1.970 2.805 . 0 0 "[ . 1 . 2]" 1
933 1 96 TYR HA 1 96 TYR QE . . 4.300 4.341 4.226 4.396 0.096 14 0 "[ . 1 . 2]" 1
934 1 96 TYR HA 1 97 ARG H . . 3.430 2.120 2.056 2.204 . 0 0 "[ . 1 . 2]" 1
935 1 96 TYR HB2 1 112 THR H . . 4.540 3.024 2.783 3.584 . 0 0 "[ . 1 . 2]" 1
936 1 96 TYR HB2 1 112 THR HB . . 4.500 2.121 1.862 2.467 . 0 0 "[ . 1 . 2]" 1
937 1 96 TYR HB3 1 97 ARG H . . 4.360 3.155 2.803 3.581 . 0 0 "[ . 1 . 2]" 1
938 1 96 TYR HB3 1 112 THR H . . 4.830 4.011 3.746 4.508 . 0 0 "[ . 1 . 2]" 1
939 1 96 TYR QD 1 96 TYR HH . . 4.850 4.291 4.229 4.366 . 0 0 "[ . 1 . 2]" 1
940 1 96 TYR QD 1 97 ARG H . . 4.520 3.508 3.175 4.010 . 0 0 "[ . 1 . 2]" 1
941 1 96 TYR QD 1 112 THR H . . 5.460 4.703 4.482 5.170 . 0 0 "[ . 1 . 2]" 1
942 1 96 TYR QD 1 112 THR HB . . 4.380 2.955 2.295 3.748 . 0 0 "[ . 1 . 2]" 1
943 1 96 TYR QE 1 96 TYR HH . . 3.210 2.415 2.302 2.550 . 0 0 "[ . 1 . 2]" 1
944 1 97 ARG H 1 97 ARG QB . . 3.640 2.573 2.257 3.037 . 0 0 "[ . 1 . 2]" 1
945 1 97 ARG H 1 97 ARG QD . . 5.110 4.301 3.940 4.878 . 0 0 "[ . 1 . 2]" 1
946 1 97 ARG H 1 97 ARG QG . . 3.890 2.997 2.253 3.947 0.057 15 0 "[ . 1 . 2]" 1
947 1 97 ARG H 1 98 ASP H . . 4.950 4.371 4.308 4.450 . 0 0 "[ . 1 . 2]" 1
948 1 97 ARG HA 1 97 ARG QG . . 3.710 2.515 2.359 3.363 . 0 0 "[ . 1 . 2]" 1
949 1 97 ARG HA 1 98 ASP H . . 3.470 2.512 2.274 2.652 . 0 0 "[ . 1 . 2]" 1
950 1 97 ARG HA 1 99 GLY H . . 4.640 3.346 3.007 4.057 . 0 0 "[ . 1 . 2]" 1
951 1 97 ARG HA 1 111 ALA HA . . 4.030 2.869 2.207 3.558 . 0 0 "[ . 1 . 2]" 1
952 1 97 ARG HA 1 111 ALA MB . . 4.040 2.933 2.572 3.516 . 0 0 "[ . 1 . 2]" 1
953 1 97 ARG HA 1 112 THR H . . 4.590 3.917 3.388 4.336 . 0 0 "[ . 1 . 2]" 1
954 1 97 ARG QB 1 97 ARG QD . . 3.020 2.249 2.084 2.377 . 0 0 "[ . 1 . 2]" 1
955 1 97 ARG QB 1 98 ASP H . . 3.200 2.164 1.906 3.247 0.047 15 0 "[ . 1 . 2]" 1
956 1 97 ARG HB2 1 98 ASP H . . 3.990 3.321 2.472 3.898 . 0 0 "[ . 1 . 2]" 1
957 1 97 ARG HB3 1 98 ASP H . . 3.990 2.261 1.917 3.749 . 0 0 "[ . 1 . 2]" 1
958 1 97 ARG QD 1 98 ASP H . . 5.060 4.480 3.413 5.028 . 0 0 "[ . 1 . 2]" 1
959 1 97 ARG QG 1 98 ASP H . . 4.050 3.653 1.811 4.078 0.028 17 0 "[ . 1 . 2]" 1
960 1 98 ASP H 1 99 GLY H . . 3.760 2.531 2.305 2.896 . 0 0 "[ . 1 . 2]" 1
961 1 98 ASP H 1 109 PRO HB2 . . 4.650 3.084 2.605 3.809 . 0 0 "[ . 1 . 2]" 1
962 1 98 ASP H 1 109 PRO HB3 . . 5.070 4.167 3.607 4.628 . 0 0 "[ . 1 . 2]" 1
963 1 98 ASP H 1 109 PRO QG . . 5.110 4.043 3.050 4.895 . 0 0 "[ . 1 . 2]" 1
964 1 98 ASP H 1 111 ALA MB . . 5.240 4.185 3.550 4.718 . 0 0 "[ . 1 . 2]" 1
965 1 98 ASP HB3 1 99 GLY H . . 4.880 4.222 3.893 4.447 . 0 0 "[ . 1 . 2]" 1
966 1 99 GLY H 1 100 THR H . . 4.590 4.444 4.151 4.610 0.020 6 0 "[ . 1 . 2]" 1
967 1 99 GLY H 1 109 PRO HB2 . . 4.480 2.979 2.401 3.595 . 0 0 "[ . 1 . 2]" 1
968 1 99 GLY H 1 109 PRO HB3 . . 4.200 3.425 2.997 4.055 . 0 0 "[ . 1 . 2]" 1
969 1 99 GLY H 1 109 PRO QG . . 5.350 4.596 3.907 5.159 . 0 0 "[ . 1 . 2]" 1
970 1 99 GLY H 1 110 ARG H . . 5.260 4.041 3.093 5.162 . 0 0 "[ . 1 . 2]" 1
971 1 99 GLY QA 1 100 THR H . . 3.130 2.247 2.189 2.304 . 0 0 "[ . 1 . 2]" 1
972 1 99 GLY QA 1 110 ARG QB . . 4.670 2.937 1.979 4.849 0.179 9 0 "[ . 1 . 2]" 1
973 1 99 GLY QA 1 111 ALA H . . 4.970 4.999 4.844 5.048 0.078 9 0 "[ . 1 . 2]" 1
974 1 100 THR H 1 100 THR HB . . 3.560 2.512 2.412 2.618 . 0 0 "[ . 1 . 2]" 1
975 1 100 THR H 1 110 ARG H . . 5.270 3.693 3.015 4.703 . 0 0 "[ . 1 . 2]" 1
976 1 100 THR HA 1 101 PRO HD2 . . 3.750 2.505 2.064 2.745 . 0 0 "[ . 1 . 2]" 1
977 1 100 THR HA 1 101 PRO HD3 . . 3.610 2.095 1.890 2.538 . 0 0 "[ . 1 . 2]" 1
978 1 100 THR HA 1 109 PRO HB3 . . 4.430 4.462 4.341 4.504 0.074 16 0 "[ . 1 . 2]" 1
979 1 101 PRO HA 1 102 TYR H . . 3.290 2.164 2.050 2.289 . 0 0 "[ . 1 . 2]" 1
980 1 101 PRO HA 1 102 TYR QD . . 3.940 3.752 2.932 4.027 0.087 11 0 "[ . 1 . 2]" 1
981 1 101 PRO HA 1 110 ARG H . . 4.320 3.000 2.517 3.585 . 0 0 "[ . 1 . 2]" 1
982 1 101 PRO QB 1 102 TYR H . . 3.750 3.064 2.826 3.306 . 0 0 "[ . 1 . 2]" 1
983 1 101 PRO QB 1 110 ARG H . . 5.340 4.513 4.014 5.224 . 0 0 "[ . 1 . 2]" 1
984 1 101 PRO HB2 1 102 TYR H . . 4.280 3.429 2.999 3.797 . 0 0 "[ . 1 . 2]" 1
985 1 101 PRO HB3 1 102 TYR H . . 4.280 3.530 3.060 4.031 . 0 0 "[ . 1 . 2]" 1
986 1 101 PRO QG 1 102 TYR H . . 4.630 4.593 4.386 4.697 0.067 6 0 "[ . 1 . 2]" 1
987 1 102 TYR H 1 102 TYR HB2 . . 3.910 3.345 2.530 3.975 0.065 11 0 "[ . 1 . 2]" 1
988 1 102 TYR H 1 102 TYR QB . . 3.350 2.968 2.489 3.291 . 0 0 "[ . 1 . 2]" 1
989 1 102 TYR H 1 102 TYR HB3 . . 3.910 3.572 3.338 3.812 . 0 0 "[ . 1 . 2]" 1
990 1 102 TYR H 1 102 TYR QD . . 3.760 2.776 2.030 3.484 . 0 0 "[ . 1 . 2]" 1
991 1 102 TYR H 1 108 THR H . . 4.780 3.853 2.971 4.799 0.019 9 0 "[ . 1 . 2]" 1
992 1 102 TYR H 1 110 ARG H . . 4.990 4.496 3.929 5.010 0.020 9 0 "[ . 1 . 2]" 1
993 1 102 TYR H 1 110 ARG QB . . 4.800 4.558 3.888 4.908 0.108 9 0 "[ . 1 . 2]" 1
994 1 102 TYR HA 1 102 TYR QD . . 3.460 3.279 2.066 3.693 0.233 17 0 "[ . 1 . 2]" 1
995 1 102 TYR QD 1 110 ARG QB . . 4.290 3.366 2.402 4.351 0.061 11 0 "[ . 1 . 2]" 1
996 1 102 TYR QD 1 135 SER QB . . 4.230 3.943 2.821 4.388 0.158 14 0 "[ . 1 . 2]" 1
997 1 102 TYR QE 1 110 ARG QB . . 3.850 2.520 1.816 3.880 0.030 9 0 "[ . 1 . 2]" 1
998 1 102 TYR QE 1 110 ARG QD . . 3.820 2.876 1.799 3.631 . 0 0 "[ . 1 . 2]" 1
999 1 102 TYR QE 1 135 SER QB . . 3.630 3.216 2.655 3.704 0.074 6 0 "[ . 1 . 2]" 1
1000 1 104 ASN QB 1 108 THR H . . 4.760 2.484 1.813 4.793 0.033 11 0 "[ . 1 . 2]" 1
1001 1 104 ASN HD21 1 108 THR HB . . 5.140 3.995 2.622 5.158 0.018 3 0 "[ . 1 . 2]" 1
1002 1 105 GLU HA 1 107 ARG H . . 5.050 3.744 3.504 4.013 . 0 0 "[ . 1 . 2]" 1
1003 1 105 GLU QB 1 106 LYS H . . 4.200 2.741 2.547 2.913 . 0 0 "[ . 1 . 2]" 1
1004 1 105 GLU QG 1 106 LYS H . . 5.000 3.995 3.613 4.250 . 0 0 "[ . 1 . 2]" 1
1005 1 106 LYS H 1 106 LYS QB . . 3.460 2.353 2.202 2.625 . 0 0 "[ . 1 . 2]" 1
1006 1 106 LYS H 1 106 LYS QE . . 4.410 4.119 3.045 4.507 0.097 18 0 "[ . 1 . 2]" 1
1007 1 106 LYS H 1 106 LYS HG2 . . 4.720 3.913 2.161 4.678 . 0 0 "[ . 1 . 2]" 1
1008 1 106 LYS H 1 106 LYS QG . . 4.030 3.204 2.132 4.041 0.011 6 0 "[ . 1 . 2]" 1
1009 1 106 LYS H 1 106 LYS HG3 . . 4.720 3.602 2.254 4.566 . 0 0 "[ . 1 . 2]" 1
1010 1 106 LYS HA 1 106 LYS QE . . 4.690 4.035 1.848 4.732 0.042 11 0 "[ . 1 . 2]" 1
1011 1 106 LYS HA 1 106 LYS HG2 . . 4.200 3.113 2.570 3.828 . 0 0 "[ . 1 . 2]" 1
1012 1 106 LYS HA 1 106 LYS QG . . 3.650 2.640 2.452 3.336 . 0 0 "[ . 1 . 2]" 1
1013 1 106 LYS HA 1 106 LYS HG3 . . 4.200 2.990 2.578 3.919 . 0 0 "[ . 1 . 2]" 1
1014 1 106 LYS QB 1 106 LYS QE . . 4.500 2.515 1.854 3.878 . 0 0 "[ . 1 . 2]" 1
1015 1 106 LYS QB 1 107 ARG H . . 4.180 3.225 2.956 3.930 . 0 0 "[ . 1 . 2]" 1
1016 1 106 LYS QG 1 107 ARG H . . 5.150 4.182 3.189 4.903 . 0 0 "[ . 1 . 2]" 1
1017 1 107 ARG H 1 107 ARG QD . . 4.880 3.594 2.230 4.902 0.022 15 0 "[ . 1 . 2]" 1
1018 1 107 ARG H 1 107 ARG QG . . 3.660 3.200 2.724 3.721 0.061 1 0 "[ . 1 . 2]" 1
1019 1 107 ARG H 1 108 THR H . . 3.610 3.425 3.075 3.693 0.083 16 0 "[ . 1 . 2]" 1
1020 1 107 ARG HA 1 107 ARG QD . . 4.750 3.542 2.681 4.193 . 0 0 "[ . 1 . 2]" 1
1021 1 107 ARG HA 1 107 ARG QG . . 3.690 2.521 2.250 3.385 . 0 0 "[ . 1 . 2]" 1
1022 1 107 ARG QB 1 107 ARG QD . . 3.170 2.352 2.022 2.729 . 0 0 "[ . 1 . 2]" 1
1023 1 107 ARG HB2 1 108 THR H . . 4.440 4.318 3.556 4.487 0.047 3 0 "[ . 1 . 2]" 1
1024 1 107 ARG HB3 1 108 THR H . . 4.440 3.802 3.334 4.387 . 0 0 "[ . 1 . 2]" 1
1025 1 107 ARG QD 1 108 THR H . . 5.340 5.100 4.482 5.460 0.120 13 0 "[ . 1 . 2]" 1
1026 1 107 ARG QG 1 108 THR H . . 4.160 4.171 3.895 4.303 0.143 1 0 "[ . 1 . 2]" 1
1027 1 108 THR H 1 108 THR HB . . 3.440 2.873 2.335 3.146 . 0 0 "[ . 1 . 2]" 1
1028 1 108 THR H 1 109 PRO QD . . 5.350 4.134 3.922 4.351 . 0 0 "[ . 1 . 2]" 1
1029 1 108 THR HA 1 109 PRO HD2 . . 3.750 2.545 2.149 2.787 . 0 0 "[ . 1 . 2]" 1
1030 1 108 THR HA 1 109 PRO QD . . 3.150 1.896 1.812 1.987 . 0 0 "[ . 1 . 2]" 1
1031 1 108 THR HA 1 109 PRO HD3 . . 3.750 1.969 1.862 2.339 . 0 0 "[ . 1 . 2]" 1
1032 1 110 ARG H 1 110 ARG QB . . 3.640 2.228 2.066 2.878 . 0 0 "[ . 1 . 2]" 1
1033 1 110 ARG H 1 110 ARG QD . . 5.340 4.271 2.106 4.655 . 0 0 "[ . 1 . 2]" 1
1034 1 110 ARG H 1 110 ARG QG . . 3.810 3.562 2.335 3.937 0.127 10 0 "[ . 1 . 2]" 1
1035 1 110 ARG H 1 111 ALA H . . 4.960 4.562 4.461 4.635 . 0 0 "[ . 1 . 2]" 1
1036 1 110 ARG HA 1 110 ARG HD2 . . 5.500 4.345 2.447 5.541 0.041 17 0 "[ . 1 . 2]" 1
1037 1 110 ARG HA 1 110 ARG HD3 . . 5.500 4.461 2.153 5.425 . 0 0 "[ . 1 . 2]" 1
1038 1 110 ARG HA 1 111 ALA H . . 3.410 2.281 2.119 2.697 . 0 0 "[ . 1 . 2]" 1
1039 1 110 ARG QB 1 110 ARG QG . . 2.430 2.037 1.966 2.076 . 0 0 "[ . 1 . 2]" 1
1040 1 110 ARG HB2 1 111 ALA H . . 5.360 3.689 2.022 4.292 . 0 0 "[ . 1 . 2]" 1
1041 1 110 ARG HB3 1 111 ALA H . . 5.360 3.925 3.516 4.160 . 0 0 "[ . 1 . 2]" 1
1042 1 110 ARG QD 1 137 TYR QD . . 4.570 3.416 2.034 4.630 0.060 11 0 "[ . 1 . 2]" 1
1043 1 110 ARG QD 1 137 TYR QE . . 3.910 2.615 1.890 3.868 . 0 0 "[ . 1 . 2]" 1
1044 1 110 ARG QG 1 111 ALA H . . 3.830 2.716 2.221 3.823 . 0 0 "[ . 1 . 2]" 1
1045 1 110 ARG QG 1 137 TYR QD . . 4.280 3.128 2.623 4.144 . 0 0 "[ . 1 . 2]" 1
1046 1 110 ARG QG 1 137 TYR QE . . 3.360 2.614 2.028 3.438 0.078 6 0 "[ . 1 . 2]" 1
1047 1 111 ALA H 1 111 ALA MB . . 3.610 2.526 2.485 2.581 . 0 0 "[ . 1 . 2]" 1
1048 1 111 ALA H 1 112 THR H . . 5.360 4.327 4.223 4.425 . 0 0 "[ . 1 . 2]" 1
1049 1 111 ALA H 1 136 THR HA . . 4.080 3.272 2.386 4.156 0.076 5 0 "[ . 1 . 2]" 1
1050 1 111 ALA H 1 137 TYR H . . 4.760 3.935 3.257 4.586 . 0 0 "[ . 1 . 2]" 1
1051 1 111 ALA H 1 137 TYR QD . . 4.440 3.811 3.007 4.497 0.057 2 0 "[ . 1 . 2]" 1
1052 1 111 ALA HA 1 112 THR H . . 3.210 2.242 2.155 2.340 . 0 0 "[ . 1 . 2]" 1
1053 1 111 ALA MB 1 112 THR H . . 3.540 2.598 2.352 2.929 . 0 0 "[ . 1 . 2]" 1
1054 1 112 THR H 1 112 THR HB . . 3.900 2.627 2.447 2.719 . 0 0 "[ . 1 . 2]" 1
1055 1 112 THR H 1 113 LEU H . . 5.020 4.317 4.159 4.409 . 0 0 "[ . 1 . 2]" 1
1056 1 112 THR HA 1 113 LEU H . . 3.180 2.228 2.140 2.281 . 0 0 "[ . 1 . 2]" 1
1057 1 112 THR HA 1 137 TYR H . . 3.960 3.036 2.560 3.950 . 0 0 "[ . 1 . 2]" 1
1058 1 112 THR HA 1 137 TYR HB2 . . 5.300 2.715 2.298 3.207 . 0 0 "[ . 1 . 2]" 1
1059 1 112 THR HA 1 137 TYR HB3 . . 4.730 4.166 3.605 4.750 0.020 10 0 "[ . 1 . 2]" 1
1060 1 112 THR HA 1 137 TYR QD . . 4.640 4.107 3.692 4.573 . 0 0 "[ . 1 . 2]" 1
1061 1 112 THR HB 1 113 LEU H . . 5.420 4.207 4.059 4.365 . 0 0 "[ . 1 . 2]" 1
1062 1 113 LEU H 1 113 LEU QB . . 3.570 2.474 2.305 2.568 . 0 0 "[ . 1 . 2]" 1
1063 1 113 LEU H 1 113 LEU HG . . 4.470 4.458 3.206 4.621 0.151 14 0 "[ . 1 . 2]" 1
1064 1 113 LEU H 1 137 TYR H . . 4.640 4.117 3.516 4.611 . 0 0 "[ . 1 . 2]" 1
1065 1 113 LEU H 1 137 TYR HB2 . . 5.120 3.986 3.695 4.456 . 0 0 "[ . 1 . 2]" 1
1066 1 113 LEU H 1 137 TYR HB3 . . 5.130 4.816 4.426 5.135 0.005 10 0 "[ . 1 . 2]" 1
1067 1 113 LEU H 1 138 ASN HA . . 4.110 3.000 2.578 3.322 . 0 0 "[ . 1 . 2]" 1
1068 1 113 LEU HA 1 114 ILE H . . 3.210 2.096 2.001 2.183 . 0 0 "[ . 1 . 2]" 1
1069 1 113 LEU QB 1 114 ILE H . . 3.950 3.747 3.090 3.824 . 0 0 "[ . 1 . 2]" 1
1070 1 113 LEU QB 1 138 ASN HA . . 4.580 3.227 2.788 3.705 . 0 0 "[ . 1 . 2]" 1
1071 1 114 ILE H 1 114 ILE HB . . 3.540 2.590 2.527 2.640 . 0 0 "[ . 1 . 2]" 1
1072 1 114 ILE H 1 115 THR H . . 5.450 4.460 4.361 4.520 . 0 0 "[ . 1 . 2]" 1
1073 1 114 ILE H 1 139 PHE HB2 . . 5.050 4.577 4.423 4.706 . 0 0 "[ . 1 . 2]" 1
1074 1 114 ILE HA 1 139 PHE H . . 4.130 2.433 2.126 2.664 . 0 0 "[ . 1 . 2]" 1
1075 1 114 ILE HA 1 139 PHE HB2 . . 5.230 2.281 2.066 2.500 . 0 0 "[ . 1 . 2]" 1
1076 1 114 ILE HA 1 139 PHE HB3 . . 5.060 3.660 3.421 3.872 . 0 0 "[ . 1 . 2]" 1
1077 1 114 ILE HB 1 115 THR H . . 4.410 4.054 3.983 4.137 . 0 0 "[ . 1 . 2]" 1
1078 1 114 ILE HB 1 116 PHE QE . . 5.320 3.020 2.048 3.745 . 0 0 "[ . 1 . 2]" 1
1079 1 114 ILE HB 1 139 PHE HB2 . . 5.500 4.448 4.153 4.678 . 0 0 "[ . 1 . 2]" 1
1080 1 114 ILE HB 1 139 PHE HB3 . . 5.490 5.527 5.427 5.594 0.104 15 0 "[ . 1 . 2]" 1
1081 1 114 ILE HG12 1 116 PHE QE . . 4.050 4.070 3.293 4.237 0.187 15 0 "[ . 1 . 2]" 1
1082 1 114 ILE HG12 1 116 PHE HZ . . 4.870 4.163 3.757 4.911 0.041 11 0 "[ . 1 . 2]" 1
1083 1 114 ILE HG12 1 139 PHE HB2 . . 5.340 3.829 3.322 4.234 . 0 0 "[ . 1 . 2]" 1
1084 1 115 THR H 1 116 PHE H . . 5.500 4.260 4.180 4.379 . 0 0 "[ . 1 . 2]" 1
1085 1 115 THR H 1 139 PHE H . . 4.820 3.310 2.955 3.521 . 0 0 "[ . 1 . 2]" 1
1086 1 115 THR H 1 139 PHE HB3 . . 4.900 4.504 4.328 4.829 . 0 0 "[ . 1 . 2]" 1
1087 1 115 THR H 1 140 ARG HA . . 3.880 3.500 3.070 3.860 . 0 0 "[ . 1 . 2]" 1
1088 1 115 THR H 1 141 TRP H . . 4.570 3.587 3.415 3.795 . 0 0 "[ . 1 . 2]" 1
1089 1 115 THR HA 1 116 PHE H . . 3.450 2.180 2.132 2.282 . 0 0 "[ . 1 . 2]" 1
1090 1 115 THR HB 1 116 PHE H . . 5.380 4.272 4.173 4.372 . 0 0 "[ . 1 . 2]" 1
1091 1 115 THR HB 1 140 ARG HA . . 4.890 3.242 2.807 3.728 . 0 0 "[ . 1 . 2]" 1
1092 1 115 THR HB 1 141 TRP H . . 4.860 3.889 3.682 4.165 . 0 0 "[ . 1 . 2]" 1
1093 1 116 PHE H 1 116 PHE QD . . 3.970 2.447 2.145 2.839 . 0 0 "[ . 1 . 2]" 1
1094 1 116 PHE H 1 116 PHE QE . . 5.500 4.466 4.308 4.772 . 0 0 "[ . 1 . 2]" 1
1095 1 116 PHE H 1 117 LEU H . . 5.340 4.312 4.239 4.382 . 0 0 "[ . 1 . 2]" 1
1096 1 116 PHE HA 1 116 PHE QD . . 4.190 2.928 2.616 3.188 . 0 0 "[ . 1 . 2]" 1
1097 1 116 PHE HA 1 117 LEU H . . 3.340 2.087 2.031 2.127 . 0 0 "[ . 1 . 2]" 1
1098 1 116 PHE HA 1 141 TRP H . . 4.150 3.346 2.944 3.652 . 0 0 "[ . 1 . 2]" 1
1099 1 116 PHE HA 1 141 TRP HB2 . . 5.290 3.901 3.751 4.083 . 0 0 "[ . 1 . 2]" 1
1100 1 116 PHE HA 1 141 TRP HB3 . . 5.080 2.213 2.082 2.356 . 0 0 "[ . 1 . 2]" 1
1101 1 116 PHE HA 1 141 TRP HD1 . . 5.060 3.925 3.490 4.290 . 0 0 "[ . 1 . 2]" 1
1102 1 116 PHE HB2 1 117 LEU H . . 4.580 4.283 4.162 4.357 . 0 0 "[ . 1 . 2]" 1
1103 1 116 PHE HB2 1 146 ALA MB . . 4.070 3.027 2.414 3.646 . 0 0 "[ . 1 . 2]" 1
1104 1 116 PHE HB3 1 117 LEU H . . 4.750 3.515 3.286 3.574 . 0 0 "[ . 1 . 2]" 1
1105 1 116 PHE HB3 1 146 ALA H . . 5.500 4.652 4.189 5.170 . 0 0 "[ . 1 . 2]" 1
1106 1 116 PHE HB3 1 146 ALA MB . . 4.300 2.207 1.741 2.610 . 0 0 "[ . 1 . 2]" 1
1107 1 116 PHE QD 1 117 LEU H . . 4.880 4.437 4.224 4.725 . 0 0 "[ . 1 . 2]" 1
1108 1 116 PHE QD 1 141 TRP HB3 . . 4.050 2.975 2.243 3.715 . 0 0 "[ . 1 . 2]" 1
1109 1 116 PHE QD 1 146 ALA H . . 5.500 5.389 4.609 5.607 0.107 2 0 "[ . 1 . 2]" 1
1110 1 116 PHE QD 1 146 ALA MB . . 5.150 3.623 2.725 3.910 . 0 0 "[ . 1 . 2]" 1
1111 1 116 PHE QE 1 141 TRP HH2 . . 4.660 4.429 4.029 4.794 0.134 11 0 "[ . 1 . 2]" 1
1112 1 117 LEU H 1 117 LEU HG . . 4.260 3.828 2.746 4.298 0.038 4 0 "[ . 1 . 2]" 1
1113 1 117 LEU H 1 118 CYS H . . 5.080 4.439 4.306 4.539 . 0 0 "[ . 1 . 2]" 1
1114 1 117 LEU H 1 119 ASP H . . 5.500 4.831 4.526 5.416 . 0 0 "[ . 1 . 2]" 1
1115 1 117 LEU H 1 141 TRP H . . 4.240 3.603 3.226 3.849 . 0 0 "[ . 1 . 2]" 1
1116 1 117 LEU H 1 141 TRP HB3 . . 4.790 3.571 3.380 3.732 . 0 0 "[ . 1 . 2]" 1
1117 1 117 LEU H 1 141 TRP HD1 . . 5.500 4.299 3.974 4.598 . 0 0 "[ . 1 . 2]" 1
1118 1 117 LEU H 1 142 TYR H . . 5.500 4.745 4.658 4.844 . 0 0 "[ . 1 . 2]" 1
1119 1 117 LEU H 1 142 TYR HA . . 3.950 2.948 2.821 3.171 . 0 0 "[ . 1 . 2]" 1
1120 1 117 LEU H 1 143 THR H . . 4.600 3.488 3.312 3.652 . 0 0 "[ . 1 . 2]" 1
1121 1 117 LEU H 1 146 ALA MB . . 4.090 3.764 3.331 4.145 0.055 8 0 "[ . 1 . 2]" 1
1122 1 117 LEU HA 1 117 LEU HG . . 4.080 3.082 2.555 3.803 . 0 0 "[ . 1 . 2]" 1
1123 1 117 LEU HA 1 118 CYS H . . 3.320 2.302 2.103 2.407 . 0 0 "[ . 1 . 2]" 1
1124 1 117 LEU QB 1 118 CYS H . . 4.020 2.585 2.347 2.987 . 0 0 "[ . 1 . 2]" 1
1125 1 117 LEU QB 1 119 ASP H . . 4.520 2.808 2.091 4.309 . 0 0 "[ . 1 . 2]" 1
1126 1 117 LEU QB 1 142 TYR HA . . 4.440 2.946 2.615 3.216 . 0 0 "[ . 1 . 2]" 1
1127 1 117 LEU QB 1 142 TYR QD . . 4.300 2.372 1.953 2.925 . 0 0 "[ . 1 . 2]" 1
1128 1 117 LEU QB 1 142 TYR QE . . 4.740 2.889 2.516 3.560 . 0 0 "[ . 1 . 2]" 1
1129 1 117 LEU QB 1 143 THR H . . 5.130 4.150 3.792 4.393 . 0 0 "[ . 1 . 2]" 1
1130 1 117 LEU HB2 1 119 ASP H . . 5.180 3.436 2.850 4.782 . 0 0 "[ . 1 . 2]" 1
1131 1 117 LEU HB2 1 142 TYR HA . . 5.290 2.999 2.647 3.292 . 0 0 "[ . 1 . 2]" 1
1132 1 117 LEU HB2 1 142 TYR QE . . 5.390 3.094 2.660 3.921 . 0 0 "[ . 1 . 2]" 1
1133 1 117 LEU HB3 1 119 ASP H . . 5.180 3.028 2.140 4.957 . 0 0 "[ . 1 . 2]" 1
1134 1 117 LEU HB3 1 142 TYR HA . . 5.290 4.333 4.019 4.528 . 0 0 "[ . 1 . 2]" 1
1135 1 117 LEU HB3 1 142 TYR QE . . 5.390 3.495 3.105 4.124 . 0 0 "[ . 1 . 2]" 1
1136 1 117 LEU HG 1 118 CYS H . . 4.980 4.529 4.032 5.033 0.053 1 0 "[ . 1 . 2]" 1
1137 1 118 CYS CB 1 147 CYS SG . . 3.100 3.001 2.952 3.111 0.011 4 0 "[ . 1 . 2]" 1
1138 1 118 CYS H 1 118 CYS HB2 . . 3.750 2.977 2.741 3.746 . 0 0 "[ . 1 . 2]" 1
1139 1 118 CYS H 1 118 CYS QB . . 3.210 2.434 2.300 2.994 . 0 0 "[ . 1 . 2]" 1
1140 1 118 CYS H 1 118 CYS HB3 . . 3.750 2.593 2.391 3.154 . 0 0 "[ . 1 . 2]" 1
1141 1 118 CYS H 1 119 ASP H . . 4.900 2.910 2.251 4.077 . 0 0 "[ . 1 . 2]" 1
1142 1 118 CYS H 1 146 ALA MB . . 4.240 3.345 2.837 4.244 0.004 4 0 "[ . 1 . 2]" 1
1143 1 118 CYS HA 1 143 THR H . . 4.790 3.026 2.661 3.933 . 0 0 "[ . 1 . 2]" 1
1144 1 118 CYS HA 1 146 ALA MB . . 4.030 2.722 2.381 3.502 . 0 0 "[ . 1 . 2]" 1
1145 1 118 CYS QB 1 146 ALA MB . . 4.770 2.126 1.838 3.814 . 0 0 "[ . 1 . 2]" 1
1146 1 118 CYS QB 1 147 CYS H . . 5.340 3.411 2.036 4.413 . 0 0 "[ . 1 . 2]" 1
1147 1 118 CYS QB 1 147 CYS HA . . 3.790 3.525 2.592 3.802 0.012 3 0 "[ . 1 . 2]" 1
1148 1 118 CYS HB2 1 119 ASP H . . 5.470 4.449 4.314 4.578 . 0 0 "[ . 1 . 2]" 1
1149 1 118 CYS HB2 1 147 CYS HA . . 4.430 3.818 2.617 4.592 0.162 3 0 "[ . 1 . 2]" 1
1150 1 118 CYS HB3 1 119 ASP H . . 5.470 4.133 3.714 4.509 . 0 0 "[ . 1 . 2]" 1
1151 1 118 CYS HB3 1 147 CYS HA . . 4.430 4.298 3.631 4.533 0.103 11 0 "[ . 1 . 2]" 1
1152 1 118 CYS SG 1 147 CYS CB . . 3.100 3.029 2.973 3.107 0.007 12 0 "[ . 1 . 2]" 1
1153 1 118 CYS SG 1 147 CYS SG . . 2.100 2.012 2.001 2.034 . 0 0 "[ . 1 . 2]" 1
1154 1 119 ASP H 1 142 TYR HA . . 4.640 3.743 3.367 4.125 . 0 0 "[ . 1 . 2]" 1
1155 1 119 ASP H 1 143 THR H . . 4.170 4.012 2.838 4.271 0.101 20 0 "[ . 1 . 2]" 1
1156 1 119 ASP H 1 146 ALA MB . . 5.050 4.589 4.182 5.091 0.041 4 0 "[ . 1 . 2]" 1
1157 1 123 GLY H 1 143 THR HA . . 5.500 4.615 3.769 5.269 . 0 0 "[ . 1 . 2]" 1
1158 1 123 GLY H 1 144 SER H . . 4.590 3.732 2.912 4.646 0.056 12 0 "[ . 1 . 2]" 1
1159 1 123 GLY H 1 144 SER HB2 . . 5.040 3.493 2.356 5.067 0.027 17 0 "[ . 1 . 2]" 1
1160 1 123 GLY H 1 144 SER QB . . 4.430 3.250 2.312 4.353 . 0 0 "[ . 1 . 2]" 1
1161 1 123 GLY H 1 144 SER HB3 . . 5.040 4.143 2.819 5.098 0.058 12 0 "[ . 1 . 2]" 1
1162 1 123 GLY QA 1 124 VAL H . . 3.120 2.136 2.060 2.344 . 0 0 "[ . 1 . 2]" 1
1163 1 123 GLY QA 1 125 GLY H . . 4.380 3.451 3.180 3.974 . 0 0 "[ . 1 . 2]" 1
1164 1 123 GLY QA 1 143 THR HA . . 5.340 4.845 4.355 5.271 . 0 0 "[ . 1 . 2]" 1
1165 1 124 VAL H 1 124 VAL HB . . 3.480 2.807 2.382 3.577 0.097 1 0 "[ . 1 . 2]" 1
1166 1 124 VAL H 1 125 GLY H . . 3.790 2.414 2.237 2.672 . 0 0 "[ . 1 . 2]" 1
1167 1 124 VAL H 1 145 TYR QE . . 4.520 3.902 3.305 4.483 . 0 0 "[ . 1 . 2]" 1
1168 1 124 VAL HA 1 143 THR HG1 . . 4.180 2.813 2.489 3.463 . 0 0 "[ . 1 . 2]" 1
1169 1 124 VAL HA 1 145 TYR H . . 4.920 4.417 4.050 4.859 . 0 0 "[ . 1 . 2]" 1
1170 1 124 VAL HA 1 145 TYR QD . . 3.810 2.434 2.061 2.877 . 0 0 "[ . 1 . 2]" 1
1171 1 124 VAL HA 1 145 TYR QE . . 3.560 2.152 1.852 2.831 . 0 0 "[ . 1 . 2]" 1
1172 1 124 VAL HB 1 125 GLY H . . 3.670 3.190 2.743 3.795 0.125 19 0 "[ . 1 . 2]" 1
1173 1 125 GLY H 1 141 TRP HE1 . . 5.070 4.290 4.114 4.781 . 0 0 "[ . 1 . 2]" 1
1174 1 125 GLY QA 1 126 PHE H . . 3.060 2.101 2.052 2.185 . 0 0 "[ . 1 . 2]" 1
1175 1 125 GLY QA 1 141 TRP HD1 . . 4.390 2.710 2.322 3.097 . 0 0 "[ . 1 . 2]" 1
1176 1 125 GLY QA 1 141 TRP HE1 . . 3.810 1.946 1.743 2.279 . 0 0 "[ . 1 . 2]" 1
1177 1 125 GLY QA 1 142 TYR H . . 4.800 3.797 3.428 4.161 . 0 0 "[ . 1 . 2]" 1
1178 1 125 GLY HA2 1 126 PHE H . . 3.500 2.151 2.088 2.279 . 0 0 "[ . 1 . 2]" 1
1179 1 125 GLY HA2 1 141 TRP HE1 . . 4.610 3.636 3.310 3.880 . 0 0 "[ . 1 . 2]" 1
1180 1 125 GLY HA3 1 126 PHE H . . 3.500 2.973 2.806 3.243 . 0 0 "[ . 1 . 2]" 1
1181 1 125 GLY HA3 1 141 TRP HE1 . . 4.610 1.954 1.748 2.294 . 0 0 "[ . 1 . 2]" 1
1182 1 126 PHE H 1 126 PHE QB . . 3.550 2.453 2.394 2.543 . 0 0 "[ . 1 . 2]" 1
1183 1 126 PHE H 1 127 PRO HD2 . . 5.310 4.940 4.862 5.265 . 0 0 "[ . 1 . 2]" 1
1184 1 126 PHE H 1 141 TRP HD1 . . 4.570 4.128 3.897 4.419 . 0 0 "[ . 1 . 2]" 1
1185 1 126 PHE H 1 141 TRP HE1 . . 4.480 4.357 4.125 4.508 0.028 14 0 "[ . 1 . 2]" 1
1186 1 126 PHE H 1 142 TYR H . . 5.490 3.243 2.884 3.544 . 0 0 "[ . 1 . 2]" 1
1187 1 126 PHE HA 1 127 PRO HD2 . . 3.740 2.300 2.188 2.693 . 0 0 "[ . 1 . 2]" 1
1188 1 126 PHE HA 1 127 PRO HD3 . . 3.820 2.230 1.964 2.362 . 0 0 "[ . 1 . 2]" 1
1189 1 126 PHE QB 1 127 PRO HD2 . . 4.240 3.732 3.599 3.915 . 0 0 "[ . 1 . 2]" 1
1190 1 126 PHE QB 1 127 PRO HD3 . . 4.730 4.259 3.989 4.347 . 0 0 "[ . 1 . 2]" 1
1191 1 126 PHE HZ 1 128 GLU QG . . 4.810 4.865 4.481 4.956 0.146 7 0 "[ . 1 . 2]" 1
1192 1 127 PRO HA 1 128 GLU H . . 3.140 2.146 2.103 2.207 . 0 0 "[ . 1 . 2]" 1
1193 1 127 PRO HA 1 141 TRP HA . . 4.540 2.329 1.994 2.732 . 0 0 "[ . 1 . 2]" 1
1194 1 127 PRO HA 1 141 TRP HB2 . . 4.890 2.973 2.663 3.195 . 0 0 "[ . 1 . 2]" 1
1195 1 127 PRO HA 1 141 TRP HB3 . . 5.500 4.411 4.086 4.625 . 0 0 "[ . 1 . 2]" 1
1196 1 127 PRO HA 1 141 TRP HE3 . . 4.950 3.601 3.248 4.104 . 0 0 "[ . 1 . 2]" 1
1197 1 127 PRO HB2 1 128 GLU H . . 4.250 3.362 3.304 3.416 . 0 0 "[ . 1 . 2]" 1
1198 1 127 PRO HB2 1 139 PHE HB2 . . 5.500 4.404 4.042 4.759 . 0 0 "[ . 1 . 2]" 1
1199 1 127 PRO HB2 1 139 PHE HB3 . . 5.500 3.086 2.756 3.489 . 0 0 "[ . 1 . 2]" 1
1200 1 127 PRO HB2 1 141 TRP HE3 . . 5.440 3.705 3.484 3.814 . 0 0 "[ . 1 . 2]" 1
1201 1 127 PRO HB3 1 128 GLU H . . 4.430 3.896 3.842 3.969 . 0 0 "[ . 1 . 2]" 1
1202 1 127 PRO HB3 1 141 TRP HE3 . . 4.330 2.103 1.962 2.357 . 0 0 "[ . 1 . 2]" 1
1203 1 127 PRO HD3 1 141 TRP HH2 . . 5.500 4.011 3.622 4.871 . 0 0 "[ . 1 . 2]" 1
1204 1 127 PRO HD3 1 141 TRP HZ2 . . 4.930 4.074 3.601 4.897 . 0 0 "[ . 1 . 2]" 1
1205 1 128 GLU H 1 128 GLU HB2 . . 4.020 2.516 2.349 2.635 . 0 0 "[ . 1 . 2]" 1
1206 1 128 GLU H 1 128 GLU QB . . 3.440 2.471 2.318 2.588 . 0 0 "[ . 1 . 2]" 1
1207 1 128 GLU H 1 128 GLU HB3 . . 4.020 3.673 2.939 3.781 . 0 0 "[ . 1 . 2]" 1
1208 1 128 GLU H 1 128 GLU QG . . 4.000 3.064 2.823 4.033 0.033 7 0 "[ . 1 . 2]" 1
1209 1 128 GLU H 1 140 ARG H . . 3.680 2.811 2.589 3.028 . 0 0 "[ . 1 . 2]" 1
1210 1 128 GLU H 1 141 TRP HA . . 4.640 3.366 3.034 3.748 . 0 0 "[ . 1 . 2]" 1
1211 1 128 GLU H 1 141 TRP HE3 . . 5.500 5.261 5.023 5.528 0.028 13 0 "[ . 1 . 2]" 1
1212 1 128 GLU HA 1 129 TYR H . . 3.440 2.239 2.085 2.331 . 0 0 "[ . 1 . 2]" 1
1213 1 128 GLU QB 1 129 TYR H . . 4.080 2.815 2.533 3.284 . 0 0 "[ . 1 . 2]" 1
1214 1 128 GLU QB 1 140 ARG H . . 3.890 3.363 3.199 3.564 . 0 0 "[ . 1 . 2]" 1
1215 1 128 GLU QB 1 140 ARG QG . . 4.300 3.748 3.211 4.371 0.071 5 0 "[ . 1 . 2]" 1
1216 1 128 GLU QB 1 141 TRP H . . 5.340 5.426 5.345 5.485 0.145 19 0 "[ . 1 . 2]" 1
1217 1 128 GLU HB2 1 129 TYR H . . 4.700 3.965 3.733 4.318 . 0 0 "[ . 1 . 2]" 1
1218 1 128 GLU HB3 1 129 TYR H . . 4.700 2.882 2.577 3.426 . 0 0 "[ . 1 . 2]" 1
1219 1 128 GLU QG 1 129 TYR H . . 4.790 3.922 3.229 4.379 . 0 0 "[ . 1 . 2]" 1
1220 1 128 GLU QG 1 140 ARG H . . 5.120 5.030 4.796 5.227 0.107 7 0 "[ . 1 . 2]" 1
1221 1 129 TYR H 1 129 TYR HB2 . . 3.840 2.687 2.414 2.923 . 0 0 "[ . 1 . 2]" 1
1222 1 129 TYR H 1 129 TYR QB . . 3.320 2.254 2.161 2.348 . 0 0 "[ . 1 . 2]" 1
1223 1 129 TYR H 1 129 TYR HB3 . . 3.840 2.429 2.303 2.529 . 0 0 "[ . 1 . 2]" 1
1224 1 129 TYR H 1 129 TYR QD . . 4.700 4.208 4.133 4.277 . 0 0 "[ . 1 . 2]" 1
1225 1 129 TYR H 1 130 GLN H . . 4.710 4.490 4.326 4.587 . 0 0 "[ . 1 . 2]" 1
1226 1 129 TYR HA 1 129 TYR QD . . 3.590 2.312 2.133 2.645 . 0 0 "[ . 1 . 2]" 1
1227 1 129 TYR HA 1 129 TYR QE . . 4.500 4.502 4.405 4.586 0.086 20 0 "[ . 1 . 2]" 1
1228 1 129 TYR HA 1 130 GLN H . . 3.280 2.170 2.092 2.251 . 0 0 "[ . 1 . 2]" 1
1229 1 129 TYR HA 1 139 PHE HA . . 4.240 2.915 2.560 3.359 . 0 0 "[ . 1 . 2]" 1
1230 1 129 TYR HA 1 139 PHE HZ . . 4.590 4.569 4.321 4.713 0.123 13 0 "[ . 1 . 2]" 1
1231 1 129 TYR HA 1 140 ARG H . . 4.630 3.795 3.382 4.112 . 0 0 "[ . 1 . 2]" 1
1232 1 129 TYR QB 1 130 GLN H . . 4.150 3.771 3.580 3.940 . 0 0 "[ . 1 . 2]" 1
1233 1 129 TYR QB 1 139 PHE QD . . 4.460 3.448 3.109 3.779 . 0 0 "[ . 1 . 2]" 1
1234 1 129 TYR QB 1 139 PHE QE . . 5.170 2.308 2.018 2.899 . 0 0 "[ . 1 . 2]" 1
1235 1 129 TYR QB 1 139 PHE HZ . . 4.730 3.912 3.293 4.725 . 0 0 "[ . 1 . 2]" 1
1236 1 129 TYR HB2 1 130 GLN H . . 4.910 4.244 4.030 4.467 . 0 0 "[ . 1 . 2]" 1
1237 1 129 TYR HB3 1 130 GLN H . . 4.910 4.224 3.972 4.441 . 0 0 "[ . 1 . 2]" 1
1238 1 129 TYR QD 1 130 GLN H . . 3.960 2.925 2.254 3.571 . 0 0 "[ . 1 . 2]" 1
1239 1 129 TYR QD 1 131 GLU HA . . 4.930 4.082 2.873 4.969 0.039 16 0 "[ . 1 . 2]" 1
1240 1 129 TYR QD 1 137 TYR QD . . 4.590 3.851 3.424 4.498 . 0 0 "[ . 1 . 2]" 1
1241 1 129 TYR QD 1 138 ASN H . . 5.420 4.497 3.426 5.330 . 0 0 "[ . 1 . 2]" 1
1242 1 129 TYR QD 1 139 PHE HA . . 4.990 4.104 3.464 4.766 . 0 0 "[ . 1 . 2]" 1
1243 1 129 TYR QD 1 139 PHE HZ . . 4.070 3.180 2.841 3.683 . 0 0 "[ . 1 . 2]" 1
1244 1 129 TYR QE 1 130 GLN H . . 5.160 4.285 3.640 5.043 . 0 0 "[ . 1 . 2]" 1
1245 1 129 TYR QE 1 131 GLU H . . 5.500 4.263 3.105 5.545 0.045 12 0 "[ . 1 . 2]" 1
1246 1 129 TYR QE 1 131 GLU HA . . 4.150 3.455 2.457 4.260 0.110 11 0 "[ . 1 . 2]" 1
1247 1 129 TYR QE 1 137 TYR HA . . 4.470 3.259 2.032 4.533 0.063 6 0 "[ . 1 . 2]" 1
1248 1 129 TYR QE 1 137 TYR HB3 . . 4.990 2.785 2.156 3.791 . 0 0 "[ . 1 . 2]" 1
1249 1 129 TYR QE 1 137 TYR QD . . 3.740 2.271 1.888 2.884 . 0 0 "[ . 1 . 2]" 1
1250 1 129 TYR QE 1 137 TYR QE . . 4.110 3.818 3.516 4.121 0.011 4 0 "[ . 1 . 2]" 1
1251 1 129 TYR QE 1 138 ASN H . . 4.730 3.838 2.385 4.757 0.027 4 0 "[ . 1 . 2]" 1
1252 1 130 GLN H 1 130 GLN QB . . 3.550 2.536 2.115 3.141 . 0 0 "[ . 1 . 2]" 1
1253 1 130 GLN H 1 130 GLN QG . . 3.960 2.668 1.925 3.973 0.013 4 0 "[ . 1 . 2]" 1
1254 1 130 GLN H 1 138 ASN H . . 5.410 4.377 3.715 4.958 . 0 0 "[ . 1 . 2]" 1
1255 1 130 GLN H 1 138 ASN HB3 . . 5.500 4.339 3.378 5.488 . 0 0 "[ . 1 . 2]" 1
1256 1 130 GLN H 1 139 PHE HA . . 4.160 2.949 2.225 3.652 . 0 0 "[ . 1 . 2]" 1
1257 1 130 GLN QB 1 138 ASN HB2 . . 4.410 4.146 2.695 4.618 0.208 19 0 "[ . 1 . 2]" 1
1258 1 130 GLN QB 1 138 ASN HB3 . . 4.410 3.146 2.255 4.436 0.026 13 0 "[ . 1 . 2]" 1
1259 1 130 GLN HB2 1 138 ASN HB3 . . 5.180 3.627 2.278 5.195 0.015 3 0 "[ . 1 . 2]" 1
1260 1 130 GLN HB3 1 138 ASN HB3 . . 5.180 3.832 2.372 5.170 . 0 0 "[ . 1 . 2]" 1
1261 1 130 GLN QG 1 138 ASN HA . . 4.780 4.470 3.944 4.948 0.168 16 0 "[ . 1 . 2]" 1
1262 1 130 GLN QG 1 138 ASN HB2 . . 4.890 3.474 2.340 4.918 0.028 9 0 "[ . 1 . 2]" 1
1263 1 130 GLN QG 1 138 ASN HB3 . . 5.080 2.502 1.716 3.962 . 0 0 "[ . 1 . 2]" 1
1264 1 134 ASN HB2 1 135 SER H . . 5.500 3.607 2.726 4.235 . 0 0 "[ . 1 . 2]" 1
1265 1 134 ASN HB3 1 135 SER H . . 5.500 3.495 2.774 4.222 . 0 0 "[ . 1 . 2]" 1
1266 1 135 SER H 1 136 THR H . . 3.910 2.005 1.653 2.903 . 0 0 "[ . 1 . 2]" 1
1267 1 135 SER HA 1 137 TYR QE . . 4.610 3.538 2.682 4.642 0.032 10 0 "[ . 1 . 2]" 1
1268 1 135 SER QB 1 137 TYR QE . . 5.020 4.682 4.008 5.107 0.087 1 0 "[ . 1 . 2]" 1
1269 1 136 THR H 1 136 THR HB . . 3.500 2.587 2.468 2.772 . 0 0 "[ . 1 . 2]" 1
1270 1 136 THR H 1 137 TYR H . . 5.500 4.195 3.777 4.544 . 0 0 "[ . 1 . 2]" 1
1271 1 136 THR HA 1 137 TYR H . . 3.450 2.133 2.061 2.295 . 0 0 "[ . 1 . 2]" 1
1272 1 136 THR HA 1 137 TYR QD . . 4.230 3.415 2.876 4.293 0.063 6 0 "[ . 1 . 2]" 1
1273 1 136 THR HB 1 137 TYR H . . 4.860 4.285 3.856 4.411 . 0 0 "[ . 1 . 2]" 1
1274 1 137 TYR H 1 137 TYR HB3 . . 3.990 3.611 3.565 3.775 . 0 0 "[ . 1 . 2]" 1
1275 1 137 TYR H 1 137 TYR QD . . 3.610 2.236 1.771 2.996 . 0 0 "[ . 1 . 2]" 1
1276 1 137 TYR H 1 137 TYR QE . . 5.000 4.370 4.117 5.009 0.009 15 0 "[ . 1 . 2]" 1
1277 1 137 TYR H 1 138 ASN H . . 5.500 4.353 3.998 4.543 . 0 0 "[ . 1 . 2]" 1
1278 1 137 TYR HA 1 137 TYR QD . . 4.240 2.993 2.503 3.238 . 0 0 "[ . 1 . 2]" 1
1279 1 137 TYR HA 1 137 TYR QE . . 5.050 4.692 4.442 4.830 . 0 0 "[ . 1 . 2]" 1
1280 1 137 TYR HA 1 138 ASN H . . 3.470 2.146 2.047 2.272 . 0 0 "[ . 1 . 2]" 1
1281 1 137 TYR HB2 1 138 ASN H . . 5.500 4.287 3.706 4.469 . 0 0 "[ . 1 . 2]" 1
1282 1 137 TYR HB3 1 139 PHE QE . . 5.000 2.345 1.960 3.418 . 0 0 "[ . 1 . 2]" 1
1283 1 138 ASN H 1 138 ASN HB2 . . 3.690 2.691 2.365 3.063 . 0 0 "[ . 1 . 2]" 1
1284 1 138 ASN H 1 138 ASN HB3 . . 4.150 2.916 2.552 3.719 . 0 0 "[ . 1 . 2]" 1
1285 1 138 ASN H 1 139 PHE H . . 5.070 4.416 4.271 4.521 . 0 0 "[ . 1 . 2]" 1
1286 1 138 ASN HA 1 139 PHE H . . 3.070 2.126 2.017 2.321 . 0 0 "[ . 1 . 2]" 1
1287 1 138 ASN HB3 1 139 PHE H . . 4.310 3.639 2.942 4.037 . 0 0 "[ . 1 . 2]" 1
1288 1 139 PHE H 1 139 PHE HB3 . . 3.930 3.723 3.663 3.808 . 0 0 "[ . 1 . 2]" 1
1289 1 139 PHE HA 1 140 ARG H . . 3.380 2.091 1.991 2.189 . 0 0 "[ . 1 . 2]" 1
1290 1 139 PHE HB3 1 140 ARG H . . 4.220 2.992 2.654 3.280 . 0 0 "[ . 1 . 2]" 1
1291 1 140 ARG H 1 140 ARG QB . . 3.680 2.331 2.189 2.524 . 0 0 "[ . 1 . 2]" 1
1292 1 140 ARG H 1 140 ARG QD . . 5.250 4.197 2.634 4.726 . 0 0 "[ . 1 . 2]" 1
1293 1 140 ARG H 1 141 TRP H . . 4.780 4.192 4.005 4.346 . 0 0 "[ . 1 . 2]" 1
1294 1 140 ARG HA 1 141 TRP H . . 3.290 2.137 2.010 2.262 . 0 0 "[ . 1 . 2]" 1
1295 1 140 ARG QB 1 141 TRP H . . 4.030 3.660 3.076 3.955 . 0 0 "[ . 1 . 2]" 1
1296 1 140 ARG QD 1 142 TYR QE . . 4.540 3.509 2.356 4.629 0.089 7 0 "[ . 1 . 2]" 1
1297 1 140 ARG QG 1 141 TRP H . . 4.100 3.776 3.306 4.188 0.088 5 0 "[ . 1 . 2]" 1
1298 1 141 TRP H 1 141 TRP HB2 . . 4.000 2.841 2.685 2.976 . 0 0 "[ . 1 . 2]" 1
1299 1 141 TRP H 1 141 TRP HB3 . . 3.810 2.582 2.413 2.758 . 0 0 "[ . 1 . 2]" 1
1300 1 141 TRP H 1 142 TYR H . . 4.970 4.201 4.084 4.338 . 0 0 "[ . 1 . 2]" 1
1301 1 141 TRP HA 1 141 TRP HD1 . . 3.790 3.429 3.290 3.587 . 0 0 "[ . 1 . 2]" 1
1302 1 141 TRP HA 1 142 TYR H . . 3.350 2.180 2.136 2.234 . 0 0 "[ . 1 . 2]" 1
1303 1 141 TRP HB2 1 141 TRP HZ3 . . 5.220 4.829 4.780 4.892 . 0 0 "[ . 1 . 2]" 1
1304 1 141 TRP HB2 1 142 TYR H . . 5.020 4.456 4.350 4.525 . 0 0 "[ . 1 . 2]" 1
1305 1 141 TRP HD1 1 142 TYR H . . 4.170 3.191 2.723 3.444 . 0 0 "[ . 1 . 2]" 1
1306 1 141 TRP HD1 1 142 TYR HA . . 4.190 3.670 3.424 3.834 . 0 0 "[ . 1 . 2]" 1
1307 1 141 TRP HD1 1 143 THR H . . 5.500 3.302 3.164 3.463 . 0 0 "[ . 1 . 2]" 1
1308 1 141 TRP HD1 1 143 THR HA . . 4.310 3.839 3.648 4.026 . 0 0 "[ . 1 . 2]" 1
1309 1 141 TRP HD1 1 143 THR HB . . 3.450 2.266 2.051 2.425 . 0 0 "[ . 1 . 2]" 1
1310 1 142 TYR H 1 142 TYR HB2 . . 3.670 2.517 2.425 2.602 . 0 0 "[ . 1 . 2]" 1
1311 1 142 TYR HA 1 142 TYR QD . . 4.190 2.643 2.133 2.996 . 0 0 "[ . 1 . 2]" 1
1312 1 142 TYR HA 1 142 TYR QE . . 4.860 4.555 4.342 4.661 . 0 0 "[ . 1 . 2]" 1
1313 1 142 TYR HA 1 143 THR H . . 3.240 2.115 2.042 2.169 . 0 0 "[ . 1 . 2]" 1
1314 1 142 TYR HA 1 146 ALA MB . . 5.490 4.652 4.201 4.907 . 0 0 "[ . 1 . 2]" 1
1315 1 142 TYR HB2 1 143 THR H . . 4.640 4.351 4.292 4.397 . 0 0 "[ . 1 . 2]" 1
1316 1 142 TYR QD 1 143 THR H . . 4.360 4.221 3.842 4.411 0.051 7 0 "[ . 1 . 2]" 1
1317 1 143 THR H 1 144 SER H . . 5.400 4.345 4.310 4.392 . 0 0 "[ . 1 . 2]" 1
1318 1 143 THR H 1 145 TYR H . . 5.500 5.008 4.894 5.076 . 0 0 "[ . 1 . 2]" 1
1319 1 143 THR H 1 146 ALA H . . 5.500 4.289 3.993 4.512 . 0 0 "[ . 1 . 2]" 1
1320 1 143 THR H 1 146 ALA MB . . 5.350 3.355 2.915 3.580 . 0 0 "[ . 1 . 2]" 1
1321 1 143 THR HA 1 144 SER H . . 3.470 2.187 2.162 2.222 . 0 0 "[ . 1 . 2]" 1
1322 1 143 THR HA 1 145 TYR H . . 4.580 3.742 3.675 3.828 . 0 0 "[ . 1 . 2]" 1
1323 1 143 THR HB 1 144 SER H . . 4.670 3.922 3.844 3.979 . 0 0 "[ . 1 . 2]" 1
1324 1 143 THR HB 1 145 TYR H . . 5.010 4.107 3.986 4.216 . 0 0 "[ . 1 . 2]" 1
1325 1 143 THR HB 1 146 ALA H . . 5.500 4.771 4.394 5.207 . 0 0 "[ . 1 . 2]" 1
1326 1 143 THR HG1 1 144 SER H . . 3.990 3.386 3.264 3.458 . 0 0 "[ . 1 . 2]" 1
1327 1 143 THR HG1 1 145 TYR H . . 3.910 2.959 2.786 3.192 . 0 0 "[ . 1 . 2]" 1
1328 1 144 SER H 1 145 TYR H . . 3.640 2.471 2.388 2.639 . 0 0 "[ . 1 . 2]" 1
1329 1 144 SER H 1 146 ALA H . . 5.260 4.191 4.057 4.372 . 0 0 "[ . 1 . 2]" 1
1330 1 144 SER HA 1 146 ALA H . . 4.530 3.712 3.531 4.196 . 0 0 "[ . 1 . 2]" 1
1331 1 144 SER QB 1 146 ALA H . . 5.340 4.682 4.490 4.908 . 0 0 "[ . 1 . 2]" 1
1332 1 145 TYR H 1 145 TYR HB2 . . 3.590 2.407 2.347 2.463 . 0 0 "[ . 1 . 2]" 1
1333 1 145 TYR H 1 145 TYR HB3 . . 4.000 3.596 3.575 3.613 . 0 0 "[ . 1 . 2]" 1
1334 1 145 TYR H 1 145 TYR QD . . 3.690 2.340 1.974 2.699 . 0 0 "[ . 1 . 2]" 1
1335 1 145 TYR H 1 146 ALA H . . 3.670 2.651 2.577 2.708 . 0 0 "[ . 1 . 2]" 1
1336 1 145 TYR H 1 147 CYS H . . 5.210 4.386 4.167 4.971 . 0 0 "[ . 1 . 2]" 1
1337 1 145 TYR HA 1 145 TYR QD . . 3.790 2.946 2.770 3.119 . 0 0 "[ . 1 . 2]" 1
1338 1 145 TYR HA 1 145 TYR QE . . 4.610 4.617 4.559 4.679 0.069 19 0 "[ . 1 . 2]" 1
1339 1 145 TYR HA 1 147 CYS H . . 4.530 3.451 3.297 4.474 . 0 0 "[ . 1 . 2]" 1
1340 1 145 TYR HB2 1 146 ALA H . . 4.730 3.308 2.727 3.439 . 0 0 "[ . 1 . 2]" 1
1341 1 145 TYR HB2 1 147 CYS H . . 5.500 5.120 4.996 5.516 0.016 3 0 "[ . 1 . 2]" 1
1342 1 145 TYR HB3 1 146 ALA H . . 4.730 4.030 3.577 4.182 . 0 0 "[ . 1 . 2]" 1
1343 1 146 ALA H 1 146 ALA MB . . 3.200 2.269 2.241 2.308 . 0 0 "[ . 1 . 2]" 1
1344 1 146 ALA H 1 147 CYS H . . 3.320 2.643 2.415 3.229 . 0 0 "[ . 1 . 2]" 1
1345 1 146 ALA MB 1 147 CYS H . . 4.180 3.297 2.730 3.536 . 0 0 "[ . 1 . 2]" 1
1346 1 147 CYS H 1 147 CYS HB2 . . 3.840 2.731 2.438 3.898 0.058 3 0 "[ . 1 . 2]" 1
1347 1 147 CYS H 1 147 CYS QB . . 3.300 2.551 2.403 3.164 . 0 0 "[ . 1 . 2]" 1
1348 1 147 CYS H 1 147 CYS HB3 . . 3.840 3.522 2.701 3.717 . 0 0 "[ . 1 . 2]" 1
1349 1 147 CYS HA 1 148 PRO QD . . 3.570 1.935 1.814 2.037 . 0 0 "[ . 1 . 2]" 1
1350 1 147 CYS QB 1 148 PRO QD . . 4.680 2.885 2.401 3.586 . 0 0 "[ . 1 . 2]" 1
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