Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603682 | 2n2g RC | 25598 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2g
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 564
_Distance_constraint_stats_list.Viol_count 895
_Distance_constraint_stats_list.Viol_total 401.642
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0224
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 0.130 0.044 17 0 "[ . 1 . 2]"
1 2 PRO 2.411 0.064 17 0 "[ . 1 . 2]"
1 3 GLY 2.294 0.098 20 0 "[ . 1 . 2]"
1 4 GLU 1.005 0.096 16 0 "[ . 1 . 2]"
1 5 GLY 1.014 0.059 14 0 "[ . 1 . 2]"
1 6 GLU 1.773 0.098 17 0 "[ . 1 . 2]"
1 7 GLU 0.053 0.033 14 0 "[ . 1 . 2]"
1 8 CYS 0.918 0.053 16 0 "[ . 1 . 2]"
1 9 ASP 0.346 0.040 16 0 "[ . 1 . 2]"
1 10 VAL 1.309 0.055 14 0 "[ . 1 . 2]"
1 11 GLU 0.235 0.020 5 0 "[ . 1 . 2]"
1 12 PHE 0.906 0.055 14 0 "[ . 1 . 2]"
1 13 ASN 1.240 0.056 16 0 "[ . 1 . 2]"
1 14 PRO 1.757 0.056 16 0 "[ . 1 . 2]"
1 15 CYS 2.145 0.092 10 0 "[ . 1 . 2]"
1 16 CYS 3.501 0.098 20 0 "[ . 1 . 2]"
1 17 PRO 2.348 0.069 10 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 3.021 0.085 12 0 "[ . 1 . 2]"
1 20 THR 1.214 0.067 20 0 "[ . 1 . 2]"
1 21 CYS 0.601 0.046 14 0 "[ . 1 . 2]"
1 22 ILE 2.577 0.067 20 0 "[ . 1 . 2]"
1 23 PRO 0.698 0.036 14 0 "[ . 1 . 2]"
1 24 GLY 0.886 0.029 10 0 "[ . 1 . 2]"
1 25 ASP 0.012 0.008 14 0 "[ . 1 . 2]"
1 26 PRO 0.346 0.018 15 0 "[ . 1 . 2]"
1 27 TYR 0.643 0.020 15 0 "[ . 1 . 2]"
1 28 GLY 0.056 0.040 16 0 "[ . 1 . 2]"
1 29 ILE 0.784 0.059 14 0 "[ . 1 . 2]"
1 30 CYS 2.099 0.098 17 0 "[ . 1 . 2]"
1 31 TYR 1.565 0.047 16 0 "[ . 1 . 2]"
1 32 ILE 0.153 0.031 16 0 "[ . 1 . 2]"
1 33 ILE 1.761 0.085 12 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 1 CYS HA 1 2 PRO HD2 3.310 . 3.310 2.812 2.649 2.870 . 0 0 "[ . 1 . 2]" 1
2 1 1 CYS HA 1 2 PRO HD3 3.580 . 3.580 2.228 2.212 2.311 . 0 0 "[ . 1 . 2]" 1
3 1 1 CYS HA 1 16 CYS H 5.500 . 5.500 5.054 4.991 5.094 . 0 0 "[ . 1 . 2]" 1
4 1 1 CYS HB2 1 2 PRO HD3 3.630 . 3.630 3.386 3.231 3.517 . 0 0 "[ . 1 . 2]" 1
5 1 1 CYS HB2 1 15 CYS HA 4.050 . 4.050 3.697 3.402 3.827 . 0 0 "[ . 1 . 2]" 1
6 1 1 CYS HB2 1 16 CYS H 3.770 . 3.770 2.840 2.800 2.893 . 0 0 "[ . 1 . 2]" 1
7 1 1 CYS HB2 1 16 CYS HA 5.000 . 5.000 3.753 3.641 4.125 . 0 0 "[ . 1 . 2]" 1
8 1 1 CYS HB3 1 2 PRO HD3 4.190 . 4.190 3.974 3.900 4.191 0.001 17 0 "[ . 1 . 2]" 1
9 1 1 CYS HB3 1 16 CYS H 4.460 . 4.460 4.439 4.396 4.504 0.044 17 0 "[ . 1 . 2]" 1
10 1 2 PRO HA 1 3 GLY H 2.800 . 2.800 2.535 2.512 2.598 . 0 0 "[ . 1 . 2]" 1
11 1 2 PRO HA 1 16 CYS H 5.500 . 5.500 5.332 5.289 5.461 . 0 0 "[ . 1 . 2]" 1
12 1 2 PRO QB 1 3 GLY H 4.380 . 4.380 2.228 2.079 2.250 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO QB 1 13 ASN HD21 5.320 . 5.320 4.063 3.514 4.202 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO QB 1 13 ASN QD 4.640 . 4.640 3.476 3.024 3.652 . 0 0 "[ . 1 . 2]" 1
15 1 2 PRO QB 1 13 ASN HD22 5.320 . 5.320 3.784 3.240 4.077 . 0 0 "[ . 1 . 2]" 1
16 1 2 PRO HD2 1 13 ASN HD21 4.800 . 4.800 4.032 3.545 4.224 . 0 0 "[ . 1 . 2]" 1
17 1 2 PRO HD2 1 13 ASN HD22 4.800 . 4.800 3.976 3.761 4.049 . 0 0 "[ . 1 . 2]" 1
18 1 2 PRO HD2 1 15 CYS HA 4.080 . 4.080 2.297 2.277 2.320 . 0 0 "[ . 1 . 2]" 1
19 1 2 PRO HD2 1 15 CYS HB2 5.410 . 5.410 5.301 5.236 5.323 . 0 0 "[ . 1 . 2]" 1
20 1 2 PRO HD2 1 16 CYS H 4.820 . 4.820 2.986 2.862 3.239 . 0 0 "[ . 1 . 2]" 1
21 1 2 PRO HD3 1 8 CYS HA 4.930 . 4.930 4.049 3.795 4.227 . 0 0 "[ . 1 . 2]" 1
22 1 2 PRO HD3 1 8 CYS HB2 4.770 . 4.770 4.803 4.603 4.823 0.053 16 0 "[ . 1 . 2]" 1
23 1 2 PRO HD3 1 9 ASP H 4.940 . 4.940 4.825 4.471 4.940 . 0 0 "[ . 1 . 2]" 1
24 1 2 PRO HD3 1 13 ASN HD21 5.400 . 5.400 2.631 2.035 2.824 . 0 0 "[ . 1 . 2]" 1
25 1 2 PRO HD3 1 13 ASN HD22 5.400 . 5.400 2.244 2.022 2.306 . 0 0 "[ . 1 . 2]" 1
26 1 2 PRO HD3 1 15 CYS HA 3.840 . 3.840 3.848 3.840 3.868 0.028 14 0 "[ . 1 . 2]" 1
27 1 2 PRO HD3 1 16 CYS H 4.960 . 4.960 4.720 4.614 4.949 . 0 0 "[ . 1 . 2]" 1
28 1 2 PRO HG2 1 3 GLY H 4.060 . 4.060 4.066 3.895 4.081 0.021 12 0 "[ . 1 . 2]" 1
29 1 2 PRO HG2 1 8 CYS HA 4.880 . 4.880 3.883 3.766 3.980 . 0 0 "[ . 1 . 2]" 1
30 1 2 PRO HG2 1 8 CYS HB2 3.790 . 3.790 3.564 2.919 3.686 . 0 0 "[ . 1 . 2]" 1
31 1 2 PRO HG2 1 13 ASN HD21 5.080 . 5.080 4.388 4.098 4.481 . 0 0 "[ . 1 . 2]" 1
32 1 2 PRO HG2 1 13 ASN QD 4.450 . 4.450 4.053 3.806 4.185 . 0 0 "[ . 1 . 2]" 1
33 1 2 PRO HG2 1 13 ASN HD22 5.080 . 5.080 4.771 4.515 5.020 . 0 0 "[ . 1 . 2]" 1
34 1 2 PRO HG2 1 15 CYS HA 3.640 . 3.640 2.216 2.122 2.247 . 0 0 "[ . 1 . 2]" 1
35 1 2 PRO HG2 1 15 CYS HB3 3.670 . 3.670 3.674 3.590 3.705 0.035 10 0 "[ . 1 . 2]" 1
36 1 2 PRO HG2 1 16 CYS H 4.660 . 4.660 3.674 3.607 3.751 . 0 0 "[ . 1 . 2]" 1
37 1 2 PRO HG3 1 8 CYS HA 4.520 . 4.520 2.425 2.242 2.541 . 0 0 "[ . 1 . 2]" 1
38 1 2 PRO HG3 1 9 ASP H 4.770 . 4.770 3.992 3.716 4.115 . 0 0 "[ . 1 . 2]" 1
39 1 2 PRO HG3 1 13 ASN HD21 5.320 . 5.320 2.853 2.471 3.032 . 0 0 "[ . 1 . 2]" 1
40 1 2 PRO HG3 1 13 ASN QD 4.670 . 4.670 2.705 2.376 2.915 . 0 0 "[ . 1 . 2]" 1
41 1 2 PRO HG3 1 13 ASN HD22 5.320 . 5.320 3.380 3.086 3.778 . 0 0 "[ . 1 . 2]" 1
42 1 2 PRO HG3 1 15 CYS HA 3.860 . 3.860 3.601 3.480 3.627 . 0 0 "[ . 1 . 2]" 1
43 1 2 PRO HG3 1 16 CYS H 5.110 . 5.110 5.151 5.132 5.174 0.064 17 0 "[ . 1 . 2]" 1
44 1 3 GLY H 1 4 GLU H 4.570 . 4.570 4.177 4.058 4.283 . 0 0 "[ . 1 . 2]" 1
45 1 3 GLY H 1 6 GLU HB2 3.680 . 3.680 1.937 1.748 2.036 . 0 0 "[ . 1 . 2]" 1
46 1 3 GLY H 1 6 GLU HB3 4.170 . 4.170 3.038 2.835 3.182 . 0 0 "[ . 1 . 2]" 1
47 1 3 GLY H 1 6 GLU QG 4.040 . 4.040 3.095 2.296 3.276 . 0 0 "[ . 1 . 2]" 1
48 1 3 GLY H 1 16 CYS H 5.500 . 5.500 5.515 5.470 5.598 0.098 20 0 "[ . 1 . 2]" 1
49 1 3 GLY H 1 19 LEU MD1 5.080 . 5.080 4.774 4.609 4.810 . 0 0 "[ . 1 . 2]" 1
50 1 3 GLY HA2 1 4 GLU H 2.870 . 2.870 2.900 2.808 2.966 0.096 16 0 "[ . 1 . 2]" 1
51 1 3 GLY HA2 1 16 CYS H 4.680 . 4.680 4.145 4.089 4.256 . 0 0 "[ . 1 . 2]" 1
52 1 3 GLY HA2 1 17 PRO QD 5.020 . 5.020 2.678 2.641 2.769 . 0 0 "[ . 1 . 2]" 1
53 1 3 GLY HA2 1 17 PRO QG 4.700 . 4.700 2.339 2.236 2.396 . 0 0 "[ . 1 . 2]" 1
54 1 3 GLY HA2 1 19 LEU MD1 3.910 . 3.910 3.002 2.919 3.031 . 0 0 "[ . 1 . 2]" 1
55 1 3 GLY HA2 1 19 LEU MD2 5.500 . 5.500 5.542 5.507 5.556 0.056 2 0 "[ . 1 . 2]" 1
56 1 3 GLY HA3 1 4 GLU H 2.670 . 2.670 2.279 2.193 2.368 . 0 0 "[ . 1 . 2]" 1
57 1 3 GLY HA3 1 19 LEU MD1 4.130 . 4.130 3.919 3.830 3.951 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU H 1 4 GLU QB 2.920 . 2.920 2.183 2.147 2.269 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU H 1 4 GLU HG2 4.830 . 4.830 4.484 4.199 4.592 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLU H 1 4 GLU QG 4.170 . 4.170 3.882 3.849 3.963 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU H 1 4 GLU HG3 4.830 . 4.830 4.278 4.168 4.508 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU H 1 5 GLY H 4.800 . 4.800 4.415 4.348 4.435 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLU H 1 6 GLU H 5.500 . 5.500 5.141 5.050 5.182 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU H 1 19 LEU MD1 3.810 . 3.810 2.919 2.636 3.066 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU H 1 19 LEU MD2 5.190 . 5.190 4.897 4.677 5.000 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU HA 1 4 GLU QG 3.730 . 3.730 2.282 2.268 2.302 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU HA 1 5 GLY H 2.850 . 2.850 2.126 2.120 2.137 . 0 0 "[ . 1 . 2]" 1
68 1 4 GLU HA 1 19 LEU MD1 3.920 . 3.920 2.074 2.054 2.117 . 0 0 "[ . 1 . 2]" 1
69 1 4 GLU HA 1 19 LEU MD2 3.770 . 3.770 3.780 3.752 3.788 0.018 10 0 "[ . 1 . 2]" 1
70 1 4 GLU HA 1 30 CYS H 5.500 . 5.500 4.927 4.686 5.146 . 0 0 "[ . 1 . 2]" 1
71 1 4 GLU HA 1 30 CYS HB3 4.000 . 4.000 3.637 3.262 3.754 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLU HA 1 31 TYR HA 4.650 . 4.650 4.435 4.265 4.493 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLU QB 1 5 GLY H 4.090 . 4.090 3.836 3.816 3.872 . 0 0 "[ . 1 . 2]" 1
74 1 4 GLU QB 1 5 GLY HA3 4.940 . 4.940 4.362 4.340 4.400 . 0 0 "[ . 1 . 2]" 1
75 1 4 GLU QB 1 19 LEU MD1 4.630 . 4.630 2.488 2.347 2.542 . 0 0 "[ . 1 . 2]" 1
76 1 4 GLU QB 1 19 LEU MD2 3.770 . 3.770 3.524 3.389 3.575 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLU QG 1 5 GLY H 4.340 . 4.340 3.322 3.200 3.601 . 0 0 "[ . 1 . 2]" 1
78 1 4 GLU QG 1 19 LEU HB3 4.390 . 4.390 4.391 4.332 4.396 0.006 3 0 "[ . 1 . 2]" 1
79 1 4 GLU QG 1 19 LEU MD1 3.170 . 3.170 2.276 2.254 2.303 . 0 0 "[ . 1 . 2]" 1
80 1 4 GLU QG 1 31 TYR HA 4.680 . 4.680 3.680 3.411 3.761 . 0 0 "[ . 1 . 2]" 1
81 1 4 GLU QG 1 32 ILE HA 5.050 . 5.050 4.433 4.246 4.545 . 0 0 "[ . 1 . 2]" 1
82 1 4 GLU HG2 1 19 LEU MD2 4.520 . 4.520 3.681 2.694 4.124 . 0 0 "[ . 1 . 2]" 1
83 1 4 GLU HG3 1 19 LEU MD2 4.520 . 4.520 2.748 2.500 3.324 . 0 0 "[ . 1 . 2]" 1
84 1 5 GLY H 1 6 GLU H 3.520 . 3.520 2.315 2.259 2.340 . 0 0 "[ . 1 . 2]" 1
85 1 5 GLY H 1 6 GLU HB2 4.420 . 4.420 4.411 4.342 4.435 0.015 20 0 "[ . 1 . 2]" 1
86 1 5 GLY H 1 6 GLU QG 5.380 . 5.380 4.608 4.458 4.646 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLY H 1 19 LEU MD1 5.030 . 5.030 3.629 3.574 3.779 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLY H 1 19 LEU MD2 5.190 . 5.190 5.128 5.085 5.203 0.013 20 0 "[ . 1 . 2]" 1
89 1 5 GLY H 1 29 ILE MD 5.500 . 5.500 5.537 5.509 5.559 0.059 14 0 "[ . 1 . 2]" 1
90 1 5 GLY H 1 29 ILE MG 3.960 . 3.960 3.073 2.838 3.274 . 0 0 "[ . 1 . 2]" 1
91 1 5 GLY H 1 30 CYS H 4.580 . 4.580 3.712 3.454 3.934 . 0 0 "[ . 1 . 2]" 1
92 1 5 GLY H 1 30 CYS HB3 4.520 . 4.520 4.202 3.686 4.284 . 0 0 "[ . 1 . 2]" 1
93 1 5 GLY H 1 31 TYR HA 4.750 . 4.750 4.226 4.121 4.269 . 0 0 "[ . 1 . 2]" 1
94 1 5 GLY H 1 31 TYR QD 5.480 . 5.480 5.490 5.487 5.497 0.017 20 0 "[ . 1 . 2]" 1
95 1 5 GLY HA2 1 29 ILE MG 3.100 . 3.100 2.528 2.291 2.793 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLY HA3 1 29 ILE MG 4.520 . 4.520 3.883 3.639 4.154 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU H 1 6 GLU HB2 3.250 . 3.250 2.551 2.504 2.639 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLU H 1 6 GLU HB3 4.000 . 4.000 3.704 3.669 3.764 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLU H 1 7 GLU H 4.860 . 4.860 4.484 4.460 4.492 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLU H 1 29 ILE MD 5.500 . 5.500 4.273 4.156 4.336 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLU H 1 29 ILE MG 4.200 . 4.200 2.716 2.483 2.926 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLU H 1 30 CYS H 4.130 . 4.130 2.865 2.621 3.135 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLU H 1 30 CYS HB2 4.010 . 4.010 2.978 2.846 4.056 0.046 16 0 "[ . 1 . 2]" 1
104 1 6 GLU H 1 30 CYS HB3 4.500 . 4.500 4.550 4.171 4.598 0.098 17 0 "[ . 1 . 2]" 1
105 1 6 GLU HA 1 6 GLU QG 3.340 . 3.340 2.332 2.303 2.592 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HA 1 7 GLU H 2.960 . 2.960 2.404 2.365 2.462 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLU HA 1 29 ILE MG 5.260 . 5.260 3.678 3.478 3.882 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLU HA 1 30 CYS H 5.470 . 5.470 4.922 4.788 5.255 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU HB2 1 7 GLU H 4.140 . 4.140 3.813 3.685 3.851 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLU HB2 1 30 CYS H 5.420 . 5.420 4.386 4.153 4.622 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLU HB3 1 7 GLU H 3.250 . 3.250 2.470 2.350 2.536 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU QG 1 7 GLU H 4.110 . 4.110 3.545 3.446 4.097 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLU H 1 7 GLU HB2 3.540 . 3.540 2.313 2.306 2.324 . 0 0 "[ . 1 . 2]" 1
114 1 7 GLU H 1 7 GLU HB3 3.540 . 3.540 2.842 2.832 2.848 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLU H 1 7 GLU HG2 4.720 . 4.720 4.573 4.572 4.576 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLU H 1 7 GLU QG 4.110 . 4.110 3.919 3.915 3.927 . 0 0 "[ . 1 . 2]" 1
117 1 7 GLU H 1 7 GLU HG3 4.720 . 4.720 4.263 4.255 4.277 . 0 0 "[ . 1 . 2]" 1
118 1 7 GLU H 1 29 ILE HA 5.080 . 5.080 4.808 4.692 5.073 . 0 0 "[ . 1 . 2]" 1
119 1 7 GLU H 1 29 ILE MD 4.950 . 4.950 3.730 3.690 3.807 . 0 0 "[ . 1 . 2]" 1
120 1 7 GLU H 1 29 ILE MG 5.150 . 5.150 4.512 4.350 4.629 . 0 0 "[ . 1 . 2]" 1
121 1 7 GLU HA 1 7 GLU HG2 4.210 . 4.210 2.797 2.790 2.808 . 0 0 "[ . 1 . 2]" 1
122 1 7 GLU HA 1 7 GLU QG 3.630 . 3.630 2.295 2.292 2.302 . 0 0 "[ . 1 . 2]" 1
123 1 7 GLU HA 1 7 GLU HG3 4.210 . 4.210 2.439 2.436 2.448 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLU HA 1 8 CYS H 2.900 . 2.900 2.142 2.126 2.168 . 0 0 "[ . 1 . 2]" 1
125 1 7 GLU HA 1 29 ILE H 5.190 . 5.190 4.937 4.815 5.223 0.033 14 0 "[ . 1 . 2]" 1
126 1 7 GLU HA 1 29 ILE MD 3.880 . 3.880 2.210 2.132 2.255 . 0 0 "[ . 1 . 2]" 1
127 1 7 GLU HA 1 29 ILE QG 4.490 . 4.490 4.209 4.129 4.327 . 0 0 "[ . 1 . 2]" 1
128 1 7 GLU HA 1 29 ILE MG 4.380 . 4.380 3.789 3.695 3.859 . 0 0 "[ . 1 . 2]" 1
129 1 7 GLU HA 1 30 CYS H 4.490 . 4.490 4.256 4.165 4.499 0.009 10 0 "[ . 1 . 2]" 1
130 1 7 GLU QB 1 8 CYS H 4.060 . 4.060 3.680 3.526 3.753 . 0 0 "[ . 1 . 2]" 1
131 1 7 GLU QG 1 8 CYS H 3.600 . 3.600 2.889 2.604 3.039 . 0 0 "[ . 1 . 2]" 1
132 1 7 GLU QG 1 27 TYR HB2 4.840 . 4.840 3.752 3.557 4.432 . 0 0 "[ . 1 . 2]" 1
133 1 7 GLU QG 1 29 ILE QG 5.180 . 5.180 4.282 4.199 4.530 . 0 0 "[ . 1 . 2]" 1
134 1 7 GLU HG2 1 8 CYS H 4.110 . 4.110 3.033 2.700 3.216 . 0 0 "[ . 1 . 2]" 1
135 1 7 GLU HG2 1 28 GLY H 5.200 . 5.200 3.508 3.319 3.848 . 0 0 "[ . 1 . 2]" 1
136 1 7 GLU HG3 1 8 CYS H 4.110 . 4.110 3.633 3.421 3.740 . 0 0 "[ . 1 . 2]" 1
137 1 7 GLU HG3 1 28 GLY H 5.200 . 5.200 4.238 3.999 4.668 . 0 0 "[ . 1 . 2]" 1
138 1 8 CYS H 1 8 CYS HB3 3.730 . 3.730 3.235 2.488 3.299 . 0 0 "[ . 1 . 2]" 1
139 1 8 CYS H 1 27 TYR HA 5.190 . 5.190 4.837 4.630 5.201 0.011 16 0 "[ . 1 . 2]" 1
140 1 8 CYS H 1 28 GLY H 3.610 . 3.610 2.876 2.672 3.237 . 0 0 "[ . 1 . 2]" 1
141 1 8 CYS H 1 28 GLY QA 5.180 . 5.180 3.925 3.842 4.137 . 0 0 "[ . 1 . 2]" 1
142 1 8 CYS H 1 29 ILE HA 3.730 . 3.730 2.966 2.845 3.042 . 0 0 "[ . 1 . 2]" 1
143 1 8 CYS H 1 29 ILE MD 4.790 . 4.790 3.451 3.190 3.554 . 0 0 "[ . 1 . 2]" 1
144 1 8 CYS H 1 29 ILE MG 5.090 . 5.090 4.749 4.523 4.838 . 0 0 "[ . 1 . 2]" 1
145 1 8 CYS H 1 30 CYS H 4.880 . 4.880 4.327 4.156 4.421 . 0 0 "[ . 1 . 2]" 1
146 1 8 CYS HA 1 9 ASP H 3.100 . 3.100 2.232 2.153 2.296 . 0 0 "[ . 1 . 2]" 1
147 1 8 CYS HA 1 13 ASN HB3 4.540 . 4.540 3.727 3.344 3.906 . 0 0 "[ . 1 . 2]" 1
148 1 8 CYS HA 1 13 ASN HD21 4.400 . 4.400 2.631 2.232 2.973 . 0 0 "[ . 1 . 2]" 1
149 1 8 CYS HA 1 13 ASN QD 3.860 . 3.860 2.596 2.209 2.929 . 0 0 "[ . 1 . 2]" 1
150 1 8 CYS HA 1 13 ASN HD22 4.400 . 4.400 3.976 3.513 4.407 0.007 14 0 "[ . 1 . 2]" 1
151 1 8 CYS HA 1 28 GLY H 5.130 . 5.130 4.705 4.590 5.007 . 0 0 "[ . 1 . 2]" 1
152 1 8 CYS HB2 1 9 ASP H 3.420 . 3.420 2.855 2.749 3.453 0.033 14 0 "[ . 1 . 2]" 1
153 1 8 CYS HB2 1 14 PRO HA 5.110 . 5.110 3.139 2.940 4.075 . 0 0 "[ . 1 . 2]" 1
154 1 8 CYS HB2 1 21 CYS HB2 4.640 . 4.640 3.496 3.252 4.243 . 0 0 "[ . 1 . 2]" 1
155 1 8 CYS HB2 1 21 CYS HB3 5.500 . 5.500 4.670 4.469 5.546 0.046 14 0 "[ . 1 . 2]" 1
156 1 8 CYS HB3 1 9 ASP H 4.030 . 4.030 3.862 3.811 4.032 0.002 14 0 "[ . 1 . 2]" 1
157 1 9 ASP H 1 9 ASP HB2 4.190 . 4.190 2.709 2.668 2.827 . 0 0 "[ . 1 . 2]" 1
158 1 9 ASP H 1 9 ASP QB 3.460 . 3.460 2.512 2.439 2.761 . 0 0 "[ . 1 . 2]" 1
159 1 9 ASP H 1 9 ASP HB3 4.190 . 4.190 3.088 2.795 3.866 . 0 0 "[ . 1 . 2]" 1
160 1 9 ASP H 1 10 VAL H 4.840 . 4.840 4.513 4.369 4.540 . 0 0 "[ . 1 . 2]" 1
161 1 9 ASP H 1 10 VAL HA 5.060 . 5.060 5.022 4.735 5.071 0.011 16 0 "[ . 1 . 2]" 1
162 1 9 ASP H 1 10 VAL MG1 5.150 . 5.150 5.067 4.770 5.101 . 0 0 "[ . 1 . 2]" 1
163 1 9 ASP H 1 12 PHE H 5.500 . 5.500 5.281 5.263 5.311 . 0 0 "[ . 1 . 2]" 1
164 1 9 ASP H 1 13 ASN H 4.780 . 4.780 3.936 3.891 3.983 . 0 0 "[ . 1 . 2]" 1
165 1 9 ASP H 1 13 ASN HB2 4.900 . 4.900 4.067 3.697 4.577 . 0 0 "[ . 1 . 2]" 1
166 1 9 ASP H 1 13 ASN HB3 3.600 . 3.600 2.352 1.962 2.934 . 0 0 "[ . 1 . 2]" 1
167 1 9 ASP H 1 13 ASN QD 3.980 . 3.980 2.722 2.514 3.264 . 0 0 "[ . 1 . 2]" 1
168 1 9 ASP H 1 14 PRO HA 5.220 . 5.220 3.704 3.154 4.151 . 0 0 "[ . 1 . 2]" 1
169 1 9 ASP H 1 27 TYR HA 5.500 . 5.500 5.042 4.791 5.391 . 0 0 "[ . 1 . 2]" 1
170 1 9 ASP H 1 28 GLY H 5.500 . 5.500 4.942 4.895 5.125 . 0 0 "[ . 1 . 2]" 1
171 1 9 ASP HA 1 10 VAL H 3.050 . 3.050 2.318 2.223 2.344 . 0 0 "[ . 1 . 2]" 1
172 1 9 ASP HA 1 11 GLU H 4.690 . 4.690 3.927 3.745 4.004 . 0 0 "[ . 1 . 2]" 1
173 1 9 ASP HA 1 27 TYR HA 3.250 . 3.250 2.556 2.411 2.782 . 0 0 "[ . 1 . 2]" 1
174 1 9 ASP HA 1 27 TYR HB3 4.210 . 4.210 4.216 4.214 4.225 0.015 14 0 "[ . 1 . 2]" 1
175 1 9 ASP HA 1 27 TYR QD 4.310 . 4.310 3.491 3.398 3.608 . 0 0 "[ . 1 . 2]" 1
176 1 9 ASP HA 1 27 TYR QE 5.090 . 5.090 4.767 4.601 5.059 . 0 0 "[ . 1 . 2]" 1
177 1 9 ASP HA 1 28 GLY H 4.450 . 4.450 3.577 3.498 3.676 . 0 0 "[ . 1 . 2]" 1
178 1 9 ASP QB 1 10 VAL H 4.330 . 4.330 3.137 2.571 3.322 . 0 0 "[ . 1 . 2]" 1
179 1 9 ASP QB 1 11 GLU H 4.480 . 4.480 2.797 2.518 2.946 . 0 0 "[ . 1 . 2]" 1
180 1 9 ASP QB 1 12 PHE H 4.150 . 4.150 2.765 2.647 2.824 . 0 0 "[ . 1 . 2]" 1
181 1 9 ASP QB 1 13 ASN H 3.610 . 3.610 2.181 2.124 2.228 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASP QB 1 13 ASN HB2 3.180 . 3.180 2.825 2.581 2.946 . 0 0 "[ . 1 . 2]" 1
183 1 9 ASP QB 1 13 ASN HB3 3.730 . 3.730 2.152 2.108 2.237 . 0 0 "[ . 1 . 2]" 1
184 1 9 ASP QB 1 27 TYR QD 3.680 . 3.680 2.983 2.389 3.682 0.002 18 0 "[ . 1 . 2]" 1
185 1 9 ASP QB 1 27 TYR QE 3.910 . 3.910 3.061 2.554 3.930 0.020 15 0 "[ . 1 . 2]" 1
186 1 9 ASP QB 1 28 GLY H 5.340 . 5.340 5.097 4.833 5.380 0.040 16 0 "[ . 1 . 2]" 1
187 1 9 ASP HB2 1 10 VAL H 5.100 . 5.100 3.971 3.606 4.086 . 0 0 "[ . 1 . 2]" 1
188 1 9 ASP HB2 1 11 GLU H 5.100 . 5.100 3.955 3.043 4.321 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASP HB3 1 10 VAL H 5.100 . 5.100 3.295 2.632 3.517 . 0 0 "[ . 1 . 2]" 1
190 1 9 ASP HB3 1 11 GLU H 5.100 . 5.100 2.873 2.643 2.998 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL H 1 10 VAL HB 3.970 . 3.970 3.707 3.689 3.719 . 0 0 "[ . 1 . 2]" 1
192 1 10 VAL H 1 10 VAL MG2 3.340 . 3.340 2.002 1.984 2.024 . 0 0 "[ . 1 . 2]" 1
193 1 10 VAL H 1 11 GLU H 3.740 . 3.740 2.382 2.350 2.487 . 0 0 "[ . 1 . 2]" 1
194 1 10 VAL H 1 12 PHE H 5.500 . 5.500 4.469 4.333 4.569 . 0 0 "[ . 1 . 2]" 1
195 1 10 VAL H 1 24 GLY HA2 4.820 . 4.820 4.567 4.356 4.820 0.000 16 0 "[ . 1 . 2]" 1
196 1 10 VAL H 1 26 PRO HA 5.130 . 5.130 4.823 4.562 5.070 . 0 0 "[ . 1 . 2]" 1
197 1 10 VAL H 1 26 PRO QB 4.780 . 4.780 4.761 4.577 4.798 0.018 15 0 "[ . 1 . 2]" 1
198 1 10 VAL H 1 27 TYR HA 4.480 . 4.480 3.934 3.690 4.059 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL HA 1 10 VAL MG1 3.180 . 3.180 2.268 2.260 2.279 . 0 0 "[ . 1 . 2]" 1
200 1 10 VAL HA 1 12 PHE H 4.880 . 4.880 4.735 4.612 4.882 0.002 10 0 "[ . 1 . 2]" 1
201 1 10 VAL HA 1 13 ASN H 4.490 . 4.490 4.494 4.474 4.504 0.014 14 0 "[ . 1 . 2]" 1
202 1 10 VAL HA 1 14 PRO HA 4.410 . 4.410 3.902 3.860 4.006 . 0 0 "[ . 1 . 2]" 1
203 1 10 VAL HB 1 11 GLU H 4.730 . 4.730 4.308 4.289 4.372 . 0 0 "[ . 1 . 2]" 1
204 1 10 VAL MG1 1 14 PRO HA 4.650 . 4.650 4.446 4.378 4.626 . 0 0 "[ . 1 . 2]" 1
205 1 10 VAL MG1 1 15 CYS H 5.500 . 5.500 5.495 5.386 5.513 0.013 13 0 "[ . 1 . 2]" 1
206 1 10 VAL MG1 1 21 CYS H 5.040 . 5.040 4.468 4.306 4.982 . 0 0 "[ . 1 . 2]" 1
207 1 10 VAL MG1 1 21 CYS HB2 3.720 . 3.720 3.468 3.350 3.735 0.015 14 0 "[ . 1 . 2]" 1
208 1 10 VAL MG1 1 21 CYS HB3 3.420 . 3.420 2.591 2.467 2.979 . 0 0 "[ . 1 . 2]" 1
209 1 10 VAL MG1 1 24 GLY H 4.780 . 4.780 4.792 4.782 4.809 0.029 10 0 "[ . 1 . 2]" 1
210 1 10 VAL MG1 1 24 GLY HA2 3.570 . 3.570 3.072 2.917 3.129 . 0 0 "[ . 1 . 2]" 1
211 1 10 VAL MG1 1 24 GLY HA3 3.500 . 3.500 2.510 2.468 2.658 . 0 0 "[ . 1 . 2]" 1
212 1 10 VAL MG1 1 25 ASP H 5.500 . 5.500 4.993 4.775 5.081 . 0 0 "[ . 1 . 2]" 1
213 1 10 VAL MG2 1 11 GLU H 3.650 . 3.650 3.244 3.210 3.444 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL MG2 1 11 GLU HA 4.560 . 4.560 3.890 3.851 4.125 . 0 0 "[ . 1 . 2]" 1
215 1 10 VAL MG2 1 12 PHE H 5.160 . 5.160 5.193 5.187 5.215 0.055 14 0 "[ . 1 . 2]" 1
216 1 10 VAL MG2 1 25 ASP H 5.500 . 5.500 4.616 4.489 4.653 . 0 0 "[ . 1 . 2]" 1
217 1 10 VAL MG2 1 25 ASP HA 4.410 . 4.410 3.479 3.134 3.598 . 0 0 "[ . 1 . 2]" 1
218 1 10 VAL MG2 1 26 PRO HA 3.330 . 3.330 3.235 2.916 3.333 0.003 20 0 "[ . 1 . 2]" 1
219 1 11 GLU H 1 11 GLU QB 3.170 . 3.170 2.369 2.302 2.496 . 0 0 "[ . 1 . 2]" 1
220 1 11 GLU H 1 11 GLU HG2 4.790 . 4.790 3.954 2.955 4.616 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLU H 1 11 GLU HG3 4.790 . 4.790 3.316 2.938 4.419 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLU H 1 12 PHE H 3.310 . 3.310 2.315 2.114 2.354 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLU H 1 12 PHE HB3 5.500 . 5.500 5.501 5.330 5.520 0.020 5 0 "[ . 1 . 2]" 1
224 1 11 GLU H 1 13 ASN H 4.420 . 4.420 3.157 2.926 3.202 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLU HA 1 11 GLU HG2 4.250 . 4.250 2.600 2.468 3.584 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLU HA 1 11 GLU HG3 4.250 . 4.250 2.975 2.309 3.736 . 0 0 "[ . 1 . 2]" 1
227 1 11 GLU QB 1 12 PHE H 3.690 . 3.690 2.528 2.469 2.590 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLU QB 1 12 PHE QD 3.930 . 3.930 2.266 2.245 2.345 . 0 0 "[ . 1 . 2]" 1
229 1 11 GLU QB 1 12 PHE QE 4.640 . 4.640 3.222 3.176 3.306 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLU QB 1 13 ASN H 5.010 . 5.010 4.076 4.043 4.244 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLU QG 1 12 PHE H 4.700 . 4.700 4.216 4.053 4.480 . 0 0 "[ . 1 . 2]" 1
232 1 11 GLU QG 1 12 PHE QE 5.340 . 5.340 4.715 4.118 5.024 . 0 0 "[ . 1 . 2]" 1
233 1 11 GLU HG2 1 12 PHE H 5.500 . 5.500 4.898 4.290 5.072 . 0 0 "[ . 1 . 2]" 1
234 1 11 GLU HG3 1 12 PHE H 5.500 . 5.500 4.655 4.531 4.990 . 0 0 "[ . 1 . 2]" 1
235 1 12 PHE H 1 12 PHE HB2 4.150 . 4.150 3.936 3.888 3.973 . 0 0 "[ . 1 . 2]" 1
236 1 12 PHE H 1 12 PHE HB3 3.740 . 3.740 3.479 3.427 3.535 . 0 0 "[ . 1 . 2]" 1
237 1 12 PHE H 1 13 ASN H 3.050 . 3.050 1.816 1.776 1.911 . 0 0 "[ . 1 . 2]" 1
238 1 12 PHE H 1 13 ASN HA 5.010 . 5.010 4.541 4.518 4.610 . 0 0 "[ . 1 . 2]" 1
239 1 12 PHE HA 1 12 PHE QD 3.900 . 3.900 3.741 3.736 3.748 . 0 0 "[ . 1 . 2]" 1
240 1 12 PHE HB2 1 13 ASN H 4.620 . 4.620 4.327 4.318 4.341 . 0 0 "[ . 1 . 2]" 1
241 1 12 PHE HB3 1 13 ASN H 4.730 . 4.730 4.552 4.538 4.564 . 0 0 "[ . 1 . 2]" 1
242 1 12 PHE QD 1 13 ASN H 4.990 . 4.990 3.965 3.899 4.030 . 0 0 "[ . 1 . 2]" 1
243 1 12 PHE QD 1 13 ASN HB2 4.290 . 4.290 3.064 2.924 3.201 . 0 0 "[ . 1 . 2]" 1
244 1 12 PHE QD 1 13 ASN HB3 5.460 . 5.460 4.697 4.558 4.828 . 0 0 "[ . 1 . 2]" 1
245 1 13 ASN H 1 13 ASN HB2 4.130 . 4.130 2.931 2.905 2.955 . 0 0 "[ . 1 . 2]" 1
246 1 13 ASN H 1 13 ASN HB3 4.000 . 4.000 3.013 2.974 3.128 . 0 0 "[ . 1 . 2]" 1
247 1 13 ASN H 1 14 PRO HD2 4.730 . 4.730 3.874 3.854 3.901 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASN H 1 14 PRO HD3 2.850 . 2.850 2.886 2.874 2.906 0.056 16 0 "[ . 1 . 2]" 1
249 1 13 ASN HA 1 13 ASN HD22 5.500 . 5.500 4.101 4.021 4.137 . 0 0 "[ . 1 . 2]" 1
250 1 13 ASN HA 1 14 PRO HD2 3.070 . 3.070 2.388 2.321 2.418 . 0 0 "[ . 1 . 2]" 1
251 1 13 ASN HA 1 14 PRO HD3 3.710 . 3.710 3.062 2.982 3.082 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASN HB2 1 14 PRO HD2 4.880 . 4.880 4.900 4.890 4.913 0.033 17 0 "[ . 1 . 2]" 1
253 1 13 ASN HB3 1 13 ASN HD21 3.500 . 3.500 2.248 2.240 2.252 . 0 0 "[ . 1 . 2]" 1
254 1 13 ASN HB3 1 13 ASN QD 3.350 . 3.350 2.222 2.214 2.226 . 0 0 "[ . 1 . 2]" 1
255 1 13 ASN HB3 1 13 ASN HD22 3.900 . 3.900 3.487 3.482 3.490 . 0 0 "[ . 1 . 2]" 1
256 1 14 PRO HA 1 15 CYS H 2.980 . 2.980 2.490 2.344 2.536 . 0 0 "[ . 1 . 2]" 1
257 1 14 PRO HA 1 15 CYS HB2 5.000 . 5.000 5.002 4.678 5.043 0.043 13 0 "[ . 1 . 2]" 1
258 1 14 PRO QB 1 15 CYS H 3.530 . 3.530 2.423 2.346 2.685 . 0 0 "[ . 1 . 2]" 1
259 1 14 PRO HB2 1 15 CYS H 4.160 . 4.160 2.478 2.392 2.781 . 0 0 "[ . 1 . 2]" 1
260 1 14 PRO HB3 1 15 CYS H 4.160 . 4.160 3.428 3.383 3.539 . 0 0 "[ . 1 . 2]" 1
261 1 14 PRO QG 1 15 CYS H 4.420 . 4.420 4.079 4.020 4.307 . 0 0 "[ . 1 . 2]" 1
262 1 15 CYS H 1 15 CYS HB2 3.360 . 3.360 2.552 2.387 2.607 . 0 0 "[ . 1 . 2]" 1
263 1 15 CYS H 1 15 CYS HB3 3.600 . 3.600 3.616 3.594 3.620 0.020 7 0 "[ . 1 . 2]" 1
264 1 15 CYS H 1 16 CYS H 4.890 . 4.890 4.605 4.590 4.613 . 0 0 "[ . 1 . 2]" 1
265 1 15 CYS H 1 16 CYS HA 5.440 . 5.440 5.402 5.322 5.421 . 0 0 "[ . 1 . 2]" 1
266 1 15 CYS H 1 21 CYS HB2 4.950 . 4.950 3.889 3.688 4.335 . 0 0 "[ . 1 . 2]" 1
267 1 15 CYS HA 1 16 CYS H 2.970 . 2.970 2.224 2.204 2.236 . 0 0 "[ . 1 . 2]" 1
268 1 15 CYS HA 1 16 CYS HA 4.620 . 4.620 4.356 4.347 4.360 . 0 0 "[ . 1 . 2]" 1
269 1 15 CYS HA 1 30 CYS HB3 5.500 . 5.500 4.869 4.719 5.545 0.045 16 0 "[ . 1 . 2]" 1
270 1 15 CYS HB2 1 16 CYS H 4.650 . 4.650 3.984 3.937 4.086 . 0 0 "[ . 1 . 2]" 1
271 1 15 CYS HB2 1 19 LEU H 4.960 . 4.960 3.716 3.603 4.141 . 0 0 "[ . 1 . 2]" 1
272 1 15 CYS HB2 1 19 LEU HB2 3.890 . 3.890 3.322 3.199 3.906 0.016 16 0 "[ . 1 . 2]" 1
273 1 15 CYS HB2 1 20 THR HA 4.810 . 4.810 4.293 4.010 4.619 . 0 0 "[ . 1 . 2]" 1
274 1 15 CYS HB2 1 21 CYS H 5.120 . 5.120 5.123 5.020 5.137 0.017 8 0 "[ . 1 . 2]" 1
275 1 15 CYS HB3 1 16 CYS H 3.690 . 3.690 3.050 2.995 3.223 . 0 0 "[ . 1 . 2]" 1
276 1 15 CYS HB3 1 19 LEU H 4.260 . 4.260 3.997 3.835 4.222 . 0 0 "[ . 1 . 2]" 1
277 1 15 CYS HB3 1 19 LEU HB2 3.030 . 3.030 2.757 2.685 3.025 . 0 0 "[ . 1 . 2]" 1
278 1 15 CYS HB3 1 19 LEU MD1 3.890 . 3.890 3.348 3.264 3.720 . 0 0 "[ . 1 . 2]" 1
279 1 15 CYS HB3 1 20 THR HA 5.500 . 5.500 5.475 5.345 5.540 0.040 10 0 "[ . 1 . 2]" 1
280 1 15 CYS HB3 1 30 CYS HA 5.450 . 5.450 4.626 4.443 5.542 0.092 10 0 "[ . 1 . 2]" 1
281 1 15 CYS HB3 1 30 CYS HB3 5.390 . 5.390 3.124 2.923 4.213 . 0 0 "[ . 1 . 2]" 1
282 1 16 CYS H 1 16 CYS HB2 3.950 . 3.950 2.372 2.151 3.584 . 0 0 "[ . 1 . 2]" 1
283 1 16 CYS H 1 16 CYS QB 3.230 . 3.230 2.255 2.125 2.949 . 0 0 "[ . 1 . 2]" 1
284 1 16 CYS H 1 16 CYS HB3 3.950 . 3.950 3.303 3.127 3.448 . 0 0 "[ . 1 . 2]" 1
285 1 16 CYS H 1 17 PRO HB3 5.500 . 5.500 5.544 5.524 5.552 0.052 8 0 "[ . 1 . 2]" 1
286 1 16 CYS H 1 17 PRO QD 4.130 . 4.130 1.977 1.943 1.989 . 0 0 "[ . 1 . 2]" 1
287 1 16 CYS HA 1 17 PRO QD 3.550 . 3.550 3.610 3.597 3.619 0.069 10 0 "[ . 1 . 2]" 1
288 1 16 CYS QB 1 17 PRO QD 3.320 . 3.320 2.315 2.170 3.016 . 0 0 "[ . 1 . 2]" 1
289 1 17 PRO HB2 1 19 LEU H 4.810 . 4.810 4.191 4.152 4.208 . 0 0 "[ . 1 . 2]" 1
290 1 17 PRO HB3 1 19 LEU H 5.500 . 5.500 5.514 5.507 5.519 0.019 9 0 "[ . 1 . 2]" 1
291 1 18 PRO QD 1 19 LEU H 4.790 . 4.790 4.180 4.174 4.186 . 0 0 "[ . 1 . 2]" 1
292 1 18 PRO QG 1 19 LEU H 5.020 . 5.020 4.848 4.845 4.858 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU H 1 19 LEU HB2 3.290 . 3.290 2.774 2.695 2.880 . 0 0 "[ . 1 . 2]" 1
294 1 19 LEU H 1 19 LEU HB3 3.870 . 3.870 3.836 3.798 3.883 0.013 20 0 "[ . 1 . 2]" 1
295 1 19 LEU H 1 19 LEU MD1 4.050 . 4.050 4.043 4.017 4.059 0.009 19 0 "[ . 1 . 2]" 1
296 1 19 LEU H 1 19 LEU MD2 4.410 . 4.410 3.801 3.776 3.873 . 0 0 "[ . 1 . 2]" 1
297 1 19 LEU H 1 19 LEU HG 3.310 . 3.310 2.936 2.911 2.993 . 0 0 "[ . 1 . 2]" 1
298 1 19 LEU HA 1 19 LEU MD1 4.060 . 4.060 3.944 3.932 3.982 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU HA 1 19 LEU MD2 3.190 . 3.190 2.260 2.231 2.306 . 0 0 "[ . 1 . 2]" 1
300 1 19 LEU HA 1 19 LEU HG 3.700 . 3.700 3.220 3.160 3.245 . 0 0 "[ . 1 . 2]" 1
301 1 19 LEU HA 1 20 THR H 3.000 . 3.000 2.384 2.364 2.459 . 0 0 "[ . 1 . 2]" 1
302 1 19 LEU HA 1 30 CYS HB3 5.500 . 5.500 5.035 4.954 5.509 0.009 16 0 "[ . 1 . 2]" 1
303 1 19 LEU HA 1 31 TYR H 5.010 . 5.010 4.771 4.668 4.947 . 0 0 "[ . 1 . 2]" 1
304 1 19 LEU HB2 1 19 LEU MD1 2.400 . 2.400 2.203 2.148 2.218 . 0 0 "[ . 1 . 2]" 1
305 1 19 LEU HB2 1 20 THR H 3.920 . 3.920 3.508 3.439 3.545 . 0 0 "[ . 1 . 2]" 1
306 1 19 LEU HB2 1 30 CYS HB3 3.700 . 3.700 2.483 2.383 3.139 . 0 0 "[ . 1 . 2]" 1
307 1 19 LEU HB2 1 31 TYR H 4.820 . 4.820 4.422 4.316 4.692 . 0 0 "[ . 1 . 2]" 1
308 1 19 LEU HB2 1 32 ILE HA 5.150 . 5.150 5.151 5.022 5.181 0.031 16 0 "[ . 1 . 2]" 1
309 1 19 LEU HB3 1 19 LEU MD1 3.660 . 3.660 2.469 2.455 2.524 . 0 0 "[ . 1 . 2]" 1
310 1 19 LEU HB3 1 19 LEU MD2 3.590 . 3.590 2.352 2.317 2.369 . 0 0 "[ . 1 . 2]" 1
311 1 19 LEU HB3 1 20 THR H 3.360 . 3.360 2.473 2.322 2.521 . 0 0 "[ . 1 . 2]" 1
312 1 19 LEU HB3 1 20 THR HA 4.730 . 4.730 4.654 4.557 4.725 . 0 0 "[ . 1 . 2]" 1
313 1 19 LEU HB3 1 30 CYS HA 4.520 . 4.520 3.582 3.479 3.829 . 0 0 "[ . 1 . 2]" 1
314 1 19 LEU HB3 1 30 CYS HB3 3.270 . 3.270 2.767 2.688 3.109 . 0 0 "[ . 1 . 2]" 1
315 1 19 LEU HB3 1 31 TYR H 4.120 . 4.120 3.177 3.094 3.339 . 0 0 "[ . 1 . 2]" 1
316 1 19 LEU HB3 1 32 ILE HA 4.450 . 4.450 3.741 3.601 3.808 . 0 0 "[ . 1 . 2]" 1
317 1 19 LEU MD1 1 20 THR H 4.560 . 4.560 4.526 4.408 4.593 0.033 20 0 "[ . 1 . 2]" 1
318 1 19 LEU MD1 1 30 CYS HB3 3.580 . 3.580 2.222 2.181 2.407 . 0 0 "[ . 1 . 2]" 1
319 1 19 LEU MD1 1 31 TYR H 4.480 . 4.480 4.388 4.305 4.489 0.009 10 0 "[ . 1 . 2]" 1
320 1 19 LEU MD1 1 32 ILE H 4.850 . 4.850 4.642 4.575 4.784 . 0 0 "[ . 1 . 2]" 1
321 1 19 LEU MD2 1 20 THR H 4.200 . 4.200 3.673 3.531 3.788 . 0 0 "[ . 1 . 2]" 1
322 1 19 LEU MD2 1 30 CYS HA 5.200 . 5.200 5.149 5.107 5.230 0.030 16 0 "[ . 1 . 2]" 1
323 1 19 LEU MD2 1 31 TYR H 4.770 . 4.770 4.382 4.280 4.487 . 0 0 "[ . 1 . 2]" 1
324 1 19 LEU MD2 1 31 TYR HA 4.210 . 4.210 3.641 3.464 3.843 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU MD2 1 32 ILE H 4.290 . 4.290 3.271 3.209 3.481 . 0 0 "[ . 1 . 2]" 1
326 1 19 LEU MD2 1 32 ILE HA 3.810 . 3.810 1.982 1.972 1.996 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU MD2 1 32 ILE HB 4.420 . 4.420 2.369 2.197 2.666 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU MD2 1 32 ILE MD 4.380 . 4.380 2.003 1.979 2.187 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU MD2 1 33 ILE H 4.890 . 4.890 3.295 3.121 3.356 . 0 0 "[ . 1 . 2]" 1
330 1 19 LEU MD2 1 33 ILE HA 5.500 . 5.500 5.560 5.501 5.585 0.085 12 0 "[ . 1 . 2]" 1
331 1 19 LEU HG 1 20 THR H 5.170 . 5.170 4.957 4.873 4.988 . 0 0 "[ . 1 . 2]" 1
332 1 20 THR H 1 20 THR HB 3.550 . 3.550 3.111 2.982 3.145 . 0 0 "[ . 1 . 2]" 1
333 1 20 THR H 1 20 THR MG 3.740 . 3.740 2.093 2.064 2.242 . 0 0 "[ . 1 . 2]" 1
334 1 20 THR H 1 21 CYS H 4.670 . 4.670 4.517 4.464 4.533 . 0 0 "[ . 1 . 2]" 1
335 1 20 THR H 1 22 ILE HG13 5.500 . 5.500 4.866 4.814 4.995 . 0 0 "[ . 1 . 2]" 1
336 1 20 THR H 1 30 CYS HA 4.620 . 4.620 3.991 3.867 4.151 . 0 0 "[ . 1 . 2]" 1
337 1 20 THR H 1 30 CYS HB3 4.850 . 4.850 4.581 4.484 4.826 . 0 0 "[ . 1 . 2]" 1
338 1 20 THR H 1 31 TYR H 3.590 . 3.590 2.897 2.797 2.996 . 0 0 "[ . 1 . 2]" 1
339 1 20 THR H 1 31 TYR HB2 5.100 . 5.100 3.879 3.841 4.079 . 0 0 "[ . 1 . 2]" 1
340 1 20 THR H 1 33 ILE H 5.080 . 5.080 4.382 4.271 4.589 . 0 0 "[ . 1 . 2]" 1
341 1 20 THR H 1 33 ILE MD 5.020 . 5.020 4.901 4.024 5.023 0.003 16 0 "[ . 1 . 2]" 1
342 1 20 THR H 1 33 ILE MG 5.500 . 5.500 3.943 3.795 5.528 0.028 20 0 "[ . 1 . 2]" 1
343 1 20 THR HA 1 20 THR MG 3.650 . 3.650 3.239 3.228 3.244 . 0 0 "[ . 1 . 2]" 1
344 1 20 THR HA 1 21 CYS H 2.930 . 2.930 2.284 2.212 2.404 . 0 0 "[ . 1 . 2]" 1
345 1 20 THR HA 1 21 CYS HB2 4.540 . 4.540 4.205 4.184 4.264 . 0 0 "[ . 1 . 2]" 1
346 1 20 THR HA 1 21 CYS HB3 5.470 . 5.470 4.988 4.870 5.044 . 0 0 "[ . 1 . 2]" 1
347 1 20 THR HA 1 31 TYR H 5.310 . 5.310 4.637 4.593 4.777 . 0 0 "[ . 1 . 2]" 1
348 1 20 THR HB 1 21 CYS H 4.220 . 4.220 3.875 3.801 4.017 . 0 0 "[ . 1 . 2]" 1
349 1 20 THR HB 1 22 ILE MD 4.300 . 4.300 4.318 4.301 4.367 0.067 20 0 "[ . 1 . 2]" 1
350 1 20 THR HB 1 22 ILE HG13 4.780 . 4.780 4.790 4.742 4.835 0.055 20 0 "[ . 1 . 2]" 1
351 1 20 THR HB 1 31 TYR H 5.240 . 5.240 5.247 5.135 5.267 0.027 14 0 "[ . 1 . 2]" 1
352 1 20 THR HB 1 31 TYR HB2 5.500 . 5.500 5.460 5.367 5.547 0.047 16 0 "[ . 1 . 2]" 1
353 1 20 THR HB 1 33 ILE MD 4.650 . 4.650 4.120 3.465 4.400 . 0 0 "[ . 1 . 2]" 1
354 1 20 THR HB 1 33 ILE HG12 5.190 . 5.190 3.078 2.799 3.627 . 0 0 "[ . 1 . 2]" 1
355 1 20 THR HB 1 33 ILE QG 4.330 . 4.330 2.984 2.749 3.425 . 0 0 "[ . 1 . 2]" 1
356 1 20 THR HB 1 33 ILE HG13 5.190 . 5.190 4.274 2.951 5.191 0.001 5 0 "[ . 1 . 2]" 1
357 1 20 THR HB 1 33 ILE MG 4.520 . 4.520 3.416 3.079 4.560 0.040 20 0 "[ . 1 . 2]" 1
358 1 20 THR MG 1 21 CYS H 4.110 . 4.110 3.786 3.389 3.912 . 0 0 "[ . 1 . 2]" 1
359 1 20 THR MG 1 22 ILE MD 3.800 . 3.800 1.947 1.912 1.956 . 0 0 "[ . 1 . 2]" 1
360 1 20 THR MG 1 31 TYR H 4.750 . 4.750 2.992 2.836 3.038 . 0 0 "[ . 1 . 2]" 1
361 1 20 THR MG 1 31 TYR HB2 4.420 . 4.420 2.554 2.448 2.724 . 0 0 "[ . 1 . 2]" 1
362 1 20 THR MG 1 31 TYR HB3 4.280 . 4.280 3.783 3.643 3.925 . 0 0 "[ . 1 . 2]" 1
363 1 20 THR MG 1 33 ILE H 5.250 . 5.250 3.920 3.785 4.510 . 0 0 "[ . 1 . 2]" 1
364 1 20 THR MG 1 33 ILE HA 5.040 . 5.040 4.396 4.215 4.756 . 0 0 "[ . 1 . 2]" 1
365 1 21 CYS H 1 21 CYS HB2 3.380 . 3.380 2.516 2.488 2.587 . 0 0 "[ . 1 . 2]" 1
366 1 21 CYS H 1 21 CYS HB3 3.330 . 3.330 2.781 2.701 2.800 . 0 0 "[ . 1 . 2]" 1
367 1 21 CYS H 1 22 ILE H 4.860 . 4.860 4.289 4.263 4.312 . 0 0 "[ . 1 . 2]" 1
368 1 21 CYS H 1 30 CYS HA 5.500 . 5.500 4.533 4.258 4.678 . 0 0 "[ . 1 . 2]" 1
369 1 21 CYS H 1 31 TYR H 5.500 . 5.500 4.918 4.877 5.030 . 0 0 "[ . 1 . 2]" 1
370 1 21 CYS HA 1 22 ILE H 3.000 . 3.000 2.158 2.148 2.168 . 0 0 "[ . 1 . 2]" 1
371 1 21 CYS HA 1 29 ILE H 4.970 . 4.970 3.805 3.610 4.257 . 0 0 "[ . 1 . 2]" 1
372 1 21 CYS HA 1 30 CYS HA 3.500 . 3.500 2.688 2.327 2.784 . 0 0 "[ . 1 . 2]" 1
373 1 21 CYS HA 1 31 TYR H 4.280 . 4.280 3.711 3.637 3.787 . 0 0 "[ . 1 . 2]" 1
374 1 21 CYS HB2 1 22 ILE H 4.860 . 4.860 4.557 4.523 4.572 . 0 0 "[ . 1 . 2]" 1
375 1 21 CYS HB3 1 22 ILE H 4.900 . 4.900 4.231 4.204 4.313 . 0 0 "[ . 1 . 2]" 1
376 1 21 CYS HB3 1 24 GLY H 5.290 . 5.290 5.306 5.291 5.318 0.028 10 0 "[ . 1 . 2]" 1
377 1 21 CYS HB3 1 24 GLY HA3 3.950 . 3.950 3.368 3.242 3.458 . 0 0 "[ . 1 . 2]" 1
378 1 22 ILE H 1 22 ILE HB 3.370 . 3.370 2.943 2.887 2.966 . 0 0 "[ . 1 . 2]" 1
379 1 22 ILE H 1 22 ILE MD 4.560 . 4.560 3.837 3.697 3.861 . 0 0 "[ . 1 . 2]" 1
380 1 22 ILE H 1 22 ILE HG12 4.000 . 4.000 3.885 3.831 3.971 . 0 0 "[ . 1 . 2]" 1
381 1 22 ILE H 1 22 ILE HG13 3.850 . 3.850 2.565 2.502 2.613 . 0 0 "[ . 1 . 2]" 1
382 1 22 ILE H 1 22 ILE MG 4.300 . 4.300 3.977 3.955 3.983 . 0 0 "[ . 1 . 2]" 1
383 1 22 ILE H 1 23 PRO QD 5.170 . 5.170 4.680 4.666 4.738 . 0 0 "[ . 1 . 2]" 1
384 1 22 ILE H 1 24 GLY H 4.860 . 4.860 4.865 4.815 4.873 0.013 16 0 "[ . 1 . 2]" 1
385 1 22 ILE H 1 28 GLY QA 4.120 . 4.120 3.747 3.604 4.020 . 0 0 "[ . 1 . 2]" 1
386 1 22 ILE H 1 29 ILE H 3.540 . 3.540 2.666 2.510 3.137 . 0 0 "[ . 1 . 2]" 1
387 1 22 ILE H 1 30 CYS HA 4.260 . 4.260 3.752 3.233 3.886 . 0 0 "[ . 1 . 2]" 1
388 1 22 ILE H 1 31 TYR H 5.020 . 5.020 3.847 3.780 3.906 . 0 0 "[ . 1 . 2]" 1
389 1 22 ILE H 1 31 TYR HB2 5.030 . 5.030 4.595 4.416 4.868 . 0 0 "[ . 1 . 2]" 1
390 1 22 ILE H 1 31 TYR QD 4.370 . 4.370 2.650 2.514 3.058 . 0 0 "[ . 1 . 2]" 1
391 1 22 ILE H 1 31 TYR QE 5.060 . 5.060 3.268 3.168 3.842 . 0 0 "[ . 1 . 2]" 1
392 1 22 ILE HA 1 22 ILE MD 4.420 . 4.420 4.022 4.012 4.029 . 0 0 "[ . 1 . 2]" 1
393 1 22 ILE HA 1 22 ILE HG12 4.190 . 4.190 2.911 2.903 2.943 . 0 0 "[ . 1 . 2]" 1
394 1 22 ILE HA 1 22 ILE MG 3.700 . 3.700 2.272 2.249 2.309 . 0 0 "[ . 1 . 2]" 1
395 1 22 ILE HA 1 23 PRO HA 3.500 . 3.500 2.212 2.178 2.249 . 0 0 "[ . 1 . 2]" 1
396 1 22 ILE HA 1 24 GLY H 4.330 . 4.330 3.661 3.604 3.682 . 0 0 "[ . 1 . 2]" 1
397 1 22 ILE HB 1 22 ILE MD 3.530 . 3.530 2.380 2.281 2.398 . 0 0 "[ . 1 . 2]" 1
398 1 22 ILE HB 1 31 TYR H 5.300 . 5.300 5.050 4.873 5.163 . 0 0 "[ . 1 . 2]" 1
399 1 22 ILE HB 1 31 TYR QD 3.400 . 3.400 2.358 2.319 2.597 . 0 0 "[ . 1 . 2]" 1
400 1 22 ILE HB 1 31 TYR QE 3.840 . 3.840 2.425 2.346 2.804 . 0 0 "[ . 1 . 2]" 1
401 1 22 ILE MD 1 23 PRO HA 4.900 . 4.900 4.905 4.897 4.923 0.023 20 0 "[ . 1 . 2]" 1
402 1 22 ILE MD 1 31 TYR H 5.040 . 5.040 3.837 3.579 3.981 . 0 0 "[ . 1 . 2]" 1
403 1 22 ILE MD 1 31 TYR HB2 3.390 . 3.390 2.215 2.149 2.253 . 0 0 "[ . 1 . 2]" 1
404 1 22 ILE MD 1 31 TYR HB3 3.850 . 3.850 3.270 3.106 3.536 . 0 0 "[ . 1 . 2]" 1
405 1 22 ILE MD 1 31 TYR QD 3.840 . 3.840 2.310 2.284 2.385 . 0 0 "[ . 1 . 2]" 1
406 1 22 ILE MD 1 31 TYR QE 4.860 . 4.860 3.787 3.684 3.860 . 0 0 "[ . 1 . 2]" 1
407 1 22 ILE MD 1 33 ILE HA 5.500 . 5.500 5.517 5.510 5.549 0.049 20 0 "[ . 1 . 2]" 1
408 1 22 ILE HG12 1 22 ILE MG 3.490 . 3.490 2.308 2.268 2.326 . 0 0 "[ . 1 . 2]" 1
409 1 22 ILE HG12 1 31 TYR H 5.500 . 5.500 5.539 5.521 5.546 0.046 14 0 "[ . 1 . 2]" 1
410 1 22 ILE HG12 1 31 TYR HB2 5.500 . 5.500 4.756 4.605 5.038 . 0 0 "[ . 1 . 2]" 1
411 1 22 ILE HG12 1 31 TYR QD 5.500 . 5.500 4.059 3.964 4.439 . 0 0 "[ . 1 . 2]" 1
412 1 22 ILE HG13 1 31 TYR H 4.670 . 4.670 3.843 3.828 3.863 . 0 0 "[ . 1 . 2]" 1
413 1 22 ILE HG13 1 31 TYR HB2 3.960 . 3.960 3.482 3.267 3.875 . 0 0 "[ . 1 . 2]" 1
414 1 22 ILE HG13 1 31 TYR QD 4.140 . 4.140 2.633 2.502 3.152 . 0 0 "[ . 1 . 2]" 1
415 1 22 ILE MG 1 23 PRO HA 3.400 . 3.400 2.029 2.014 2.052 . 0 0 "[ . 1 . 2]" 1
416 1 22 ILE MG 1 23 PRO HB3 4.800 . 4.800 3.271 3.209 3.331 . 0 0 "[ . 1 . 2]" 1
417 1 22 ILE MG 1 23 PRO HD2 4.380 . 4.380 4.409 4.394 4.416 0.036 14 0 "[ . 1 . 2]" 1
418 1 22 ILE MG 1 23 PRO QD 3.680 . 3.680 3.378 3.361 3.387 . 0 0 "[ . 1 . 2]" 1
419 1 22 ILE MG 1 23 PRO HD3 4.380 . 4.380 3.507 3.489 3.518 . 0 0 "[ . 1 . 2]" 1
420 1 22 ILE MG 1 24 GLY H 5.290 . 5.290 4.655 4.620 4.665 . 0 0 "[ . 1 . 2]" 1
421 1 22 ILE MG 1 29 ILE H 5.170 . 5.170 4.890 4.837 5.005 . 0 0 "[ . 1 . 2]" 1
422 1 22 ILE MG 1 31 TYR QD 4.210 . 4.210 3.950 3.911 4.148 . 0 0 "[ . 1 . 2]" 1
423 1 22 ILE MG 1 31 TYR QE 5.060 . 5.060 3.736 3.681 4.071 . 0 0 "[ . 1 . 2]" 1
424 1 23 PRO HB2 1 24 GLY H 4.110 . 4.110 3.191 3.160 3.237 . 0 0 "[ . 1 . 2]" 1
425 1 23 PRO HB2 1 25 ASP H 4.010 . 4.010 3.165 2.917 3.331 . 0 0 "[ . 1 . 2]" 1
426 1 23 PRO HB3 1 25 ASP H 5.360 . 5.360 4.753 4.555 4.896 . 0 0 "[ . 1 . 2]" 1
427 1 23 PRO QD 1 24 GLY H 3.970 . 3.970 2.625 2.554 2.691 . 0 0 "[ . 1 . 2]" 1
428 1 23 PRO QD 1 29 ILE H 5.020 . 5.020 3.258 3.069 3.324 . 0 0 "[ . 1 . 2]" 1
429 1 23 PRO HG2 1 24 GLY H 2.570 . 2.570 2.266 2.245 2.316 . 0 0 "[ . 1 . 2]" 1
430 1 23 PRO HG2 1 25 ASP H 3.930 . 3.930 2.659 2.589 2.702 . 0 0 "[ . 1 . 2]" 1
431 1 23 PRO HG3 1 24 GLY H 4.260 . 4.260 3.809 3.803 3.841 . 0 0 "[ . 1 . 2]" 1
432 1 23 PRO HG3 1 25 ASP H 5.260 . 5.260 4.284 4.201 4.355 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLY H 1 25 ASP H 3.400 . 3.400 2.501 2.478 2.521 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLY H 1 27 TYR H 5.130 . 5.130 5.127 5.065 5.144 0.014 4 0 "[ . 1 . 2]" 1
435 1 24 GLY H 1 28 GLY H 5.090 . 5.090 4.163 4.120 4.298 . 0 0 "[ . 1 . 2]" 1
436 1 24 GLY H 1 28 GLY HA2 3.980 . 3.980 2.908 2.458 3.504 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLY H 1 28 GLY QA 3.280 . 3.280 2.163 2.085 2.314 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLY H 1 28 GLY HA3 3.980 . 3.980 2.244 2.158 2.348 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLY H 1 29 ILE H 4.650 . 4.650 4.027 3.929 4.163 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLY HA2 1 26 PRO HA 5.500 . 5.500 4.835 4.695 5.054 . 0 0 "[ . 1 . 2]" 1
441 1 24 GLY HA2 1 27 TYR H 5.110 . 5.110 4.500 4.424 4.755 . 0 0 "[ . 1 . 2]" 1
442 1 24 GLY HA2 1 28 GLY H 5.500 . 5.500 3.319 3.144 3.688 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLY HA2 1 28 GLY QA 3.920 . 3.920 2.737 2.380 3.253 . 0 0 "[ . 1 . 2]" 1
444 1 25 ASP H 1 25 ASP HB2 4.070 . 4.070 2.859 2.719 3.895 . 0 0 "[ . 1 . 2]" 1
445 1 25 ASP H 1 25 ASP QB 3.560 . 3.560 2.730 2.664 3.267 . 0 0 "[ . 1 . 2]" 1
446 1 25 ASP H 1 25 ASP HB3 4.070 . 4.070 3.705 3.029 3.859 . 0 0 "[ . 1 . 2]" 1
447 1 25 ASP H 1 26 PRO HA 4.270 . 4.270 4.048 3.954 4.145 . 0 0 "[ . 1 . 2]" 1
448 1 25 ASP H 1 27 TYR H 3.860 . 3.860 3.736 3.644 3.868 0.008 14 0 "[ . 1 . 2]" 1
449 1 25 ASP H 1 27 TYR HA 5.500 . 5.500 4.611 4.511 4.794 . 0 0 "[ . 1 . 2]" 1
450 1 25 ASP H 1 28 GLY H 5.500 . 5.500 5.164 5.089 5.319 . 0 0 "[ . 1 . 2]" 1
451 1 25 ASP H 1 28 GLY QA 5.010 . 5.010 3.959 3.918 4.107 . 0 0 "[ . 1 . 2]" 1
452 1 25 ASP HA 1 26 PRO HA 3.650 . 3.650 2.013 1.983 2.032 . 0 0 "[ . 1 . 2]" 1
453 1 25 ASP HA 1 27 TYR H 4.620 . 4.620 4.345 4.311 4.441 . 0 0 "[ . 1 . 2]" 1
454 1 25 ASP QB 1 26 PRO HA 4.500 . 4.500 3.976 3.778 4.173 . 0 0 "[ . 1 . 2]" 1
455 1 26 PRO QB 1 27 TYR H 4.410 . 4.410 2.909 2.871 2.947 . 0 0 "[ . 1 . 2]" 1
456 1 26 PRO QB 1 27 TYR QD 3.740 . 3.740 2.826 2.584 3.284 . 0 0 "[ . 1 . 2]" 1
457 1 26 PRO QB 1 27 TYR QE 5.310 . 5.310 3.128 2.910 3.442 . 0 0 "[ . 1 . 2]" 1
458 1 26 PRO HD2 1 27 TYR H 3.460 . 3.460 1.882 1.819 1.900 . 0 0 "[ . 1 . 2]" 1
459 1 26 PRO HD2 1 27 TYR QD 4.040 . 4.040 2.506 2.355 2.610 . 0 0 "[ . 1 . 2]" 1
460 1 26 PRO HD2 1 27 TYR QE 5.150 . 5.150 4.236 3.851 4.450 . 0 0 "[ . 1 . 2]" 1
461 1 26 PRO HD3 1 27 TYR H 4.100 . 4.100 3.413 3.380 3.435 . 0 0 "[ . 1 . 2]" 1
462 1 26 PRO HD3 1 27 TYR QD 5.380 . 5.380 4.136 4.020 4.194 . 0 0 "[ . 1 . 2]" 1
463 1 26 PRO HD3 1 27 TYR QE 5.500 . 5.500 5.358 4.963 5.517 0.017 10 0 "[ . 1 . 2]" 1
464 1 26 PRO QG 1 27 TYR H 3.610 . 3.610 3.370 3.300 3.398 . 0 0 "[ . 1 . 2]" 1
465 1 26 PRO QG 1 27 TYR QD 3.740 . 3.740 2.834 2.645 3.019 . 0 0 "[ . 1 . 2]" 1
466 1 26 PRO QG 1 27 TYR QE 4.060 . 4.060 2.979 2.705 3.079 . 0 0 "[ . 1 . 2]" 1
467 1 26 PRO HG2 1 27 TYR H 4.400 . 4.400 3.537 3.451 3.571 . 0 0 "[ . 1 . 2]" 1
468 1 26 PRO HG2 1 27 TYR QD 4.540 . 4.540 2.869 2.673 3.064 . 0 0 "[ . 1 . 2]" 1
469 1 26 PRO HG2 1 27 TYR QE 4.720 . 4.720 3.016 2.729 3.121 . 0 0 "[ . 1 . 2]" 1
470 1 26 PRO HG3 1 27 TYR H 4.400 . 4.400 4.244 4.199 4.257 . 0 0 "[ . 1 . 2]" 1
471 1 26 PRO HG3 1 27 TYR QD 4.540 . 4.540 4.392 4.236 4.553 0.013 15 0 "[ . 1 . 2]" 1
472 1 26 PRO HG3 1 27 TYR QE 4.720 . 4.720 4.647 4.438 4.721 0.001 5 0 "[ . 1 . 2]" 1
473 1 27 TYR H 1 27 TYR HB2 3.350 . 3.350 2.564 2.518 2.672 . 0 0 "[ . 1 . 2]" 1
474 1 27 TYR H 1 27 TYR HB3 3.820 . 3.820 3.704 3.690 3.727 . 0 0 "[ . 1 . 2]" 1
475 1 27 TYR H 1 27 TYR QD 3.720 . 3.720 2.413 2.364 2.447 . 0 0 "[ . 1 . 2]" 1
476 1 27 TYR H 1 27 TYR QE 4.900 . 4.900 4.486 4.312 4.580 . 0 0 "[ . 1 . 2]" 1
477 1 27 TYR H 1 28 GLY H 5.050 . 5.050 4.549 4.530 4.575 . 0 0 "[ . 1 . 2]" 1
478 1 27 TYR HA 1 27 TYR QD 3.560 . 3.560 3.075 3.005 3.117 . 0 0 "[ . 1 . 2]" 1
479 1 27 TYR HA 1 27 TYR QE 4.940 . 4.940 4.759 4.730 4.826 . 0 0 "[ . 1 . 2]" 1
480 1 27 TYR HA 1 28 GLY H 3.130 . 3.130 2.327 2.314 2.352 . 0 0 "[ . 1 . 2]" 1
481 1 27 TYR HA 1 28 GLY HA2 5.180 . 5.180 4.503 4.489 4.538 . 0 0 "[ . 1 . 2]" 1
482 1 27 TYR HA 1 28 GLY QA 4.430 . 4.430 3.921 3.916 3.934 . 0 0 "[ . 1 . 2]" 1
483 1 27 TYR HA 1 28 GLY HA3 5.180 . 5.180 4.315 4.312 4.319 . 0 0 "[ . 1 . 2]" 1
484 1 27 TYR HB2 1 28 GLY H 3.980 . 3.980 3.726 3.646 3.761 . 0 0 "[ . 1 . 2]" 1
485 1 27 TYR HB3 1 28 GLY H 3.440 . 3.440 2.627 2.554 2.692 . 0 0 "[ . 1 . 2]" 1
486 1 27 TYR QD 1 28 GLY H 4.470 . 4.470 3.962 3.866 4.157 . 0 0 "[ . 1 . 2]" 1
487 1 28 GLY H 1 29 ILE H 4.740 . 4.740 4.255 4.184 4.380 . 0 0 "[ . 1 . 2]" 1
488 1 28 GLY H 1 29 ILE HA 5.500 . 5.500 4.702 4.641 4.780 . 0 0 "[ . 1 . 2]" 1
489 1 28 GLY QA 1 29 ILE H 2.780 . 2.780 2.210 2.182 2.263 . 0 0 "[ . 1 . 2]" 1
490 1 28 GLY HA2 1 29 ILE H 3.220 . 3.220 2.819 2.635 2.918 . 0 0 "[ . 1 . 2]" 1
491 1 28 GLY HA3 1 29 ILE H 3.220 . 3.220 2.320 2.253 2.465 . 0 0 "[ . 1 . 2]" 1
492 1 29 ILE H 1 29 ILE HB 3.440 . 3.440 2.798 2.718 2.861 . 0 0 "[ . 1 . 2]" 1
493 1 29 ILE H 1 29 ILE MD 5.340 . 5.340 3.604 3.459 3.746 . 0 0 "[ . 1 . 2]" 1
494 1 29 ILE H 1 29 ILE HG12 4.470 . 4.470 2.827 2.677 2.915 . 0 0 "[ . 1 . 2]" 1
495 1 29 ILE H 1 29 ILE QG 3.750 . 3.750 2.787 2.644 2.868 . 0 0 "[ . 1 . 2]" 1
496 1 29 ILE H 1 29 ILE HG13 4.470 . 4.470 4.222 4.104 4.257 . 0 0 "[ . 1 . 2]" 1
497 1 29 ILE H 1 29 ILE MG 4.410 . 4.410 3.951 3.918 3.972 . 0 0 "[ . 1 . 2]" 1
498 1 29 ILE H 1 30 CYS H 4.810 . 4.810 4.434 4.420 4.481 . 0 0 "[ . 1 . 2]" 1
499 1 29 ILE H 1 31 TYR QE 4.800 . 4.800 3.137 3.061 3.526 . 0 0 "[ . 1 . 2]" 1
500 1 29 ILE HA 1 29 ILE MD 3.790 . 3.790 2.353 2.332 2.386 . 0 0 "[ . 1 . 2]" 1
501 1 29 ILE HA 1 29 ILE HG12 4.230 . 4.230 3.266 3.184 3.355 . 0 0 "[ . 1 . 2]" 1
502 1 29 ILE HA 1 29 ILE QG 3.660 . 3.660 3.097 3.035 3.166 . 0 0 "[ . 1 . 2]" 1
503 1 29 ILE HA 1 29 ILE HG13 4.230 . 4.230 3.850 3.823 3.880 . 0 0 "[ . 1 . 2]" 1
504 1 29 ILE HA 1 29 ILE MG 3.600 . 3.600 2.399 2.346 2.450 . 0 0 "[ . 1 . 2]" 1
505 1 29 ILE HA 1 30 CYS H 3.030 . 3.030 2.249 2.243 2.265 . 0 0 "[ . 1 . 2]" 1
506 1 29 ILE HB 1 29 ILE MD 3.730 . 3.730 3.277 3.271 3.283 . 0 0 "[ . 1 . 2]" 1
507 1 29 ILE HB 1 30 CYS H 4.220 . 4.220 3.809 3.716 3.881 . 0 0 "[ . 1 . 2]" 1
508 1 29 ILE HB 1 31 TYR QE 3.590 . 3.590 2.315 2.290 2.341 . 0 0 "[ . 1 . 2]" 1
509 1 29 ILE MD 1 29 ILE MG 3.320 . 3.320 2.048 1.993 2.121 . 0 0 "[ . 1 . 2]" 1
510 1 29 ILE MD 1 30 CYS H 4.860 . 4.860 3.861 3.716 4.031 . 0 0 "[ . 1 . 2]" 1
511 1 29 ILE MD 1 31 TYR QE 5.450 . 5.450 4.743 4.701 4.906 . 0 0 "[ . 1 . 2]" 1
512 1 29 ILE QG 1 30 CYS H 4.700 . 4.700 4.591 4.554 4.658 . 0 0 "[ . 1 . 2]" 1
513 1 29 ILE QG 1 31 TYR QD 5.340 . 5.340 5.008 4.931 5.216 . 0 0 "[ . 1 . 2]" 1
514 1 29 ILE HG12 1 30 CYS H 5.500 . 5.500 5.113 5.063 5.187 . 0 0 "[ . 1 . 2]" 1
515 1 29 ILE HG12 1 31 TYR QE 4.840 . 4.840 3.760 3.613 3.996 . 0 0 "[ . 1 . 2]" 1
516 1 29 ILE HG13 1 30 CYS H 5.500 . 5.500 5.197 5.163 5.273 . 0 0 "[ . 1 . 2]" 1
517 1 29 ILE HG13 1 31 TYR QE 4.840 . 4.840 4.012 3.976 4.211 . 0 0 "[ . 1 . 2]" 1
518 1 29 ILE MG 1 30 CYS H 3.510 . 3.510 2.248 2.174 2.288 . 0 0 "[ . 1 . 2]" 1
519 1 29 ILE MG 1 31 TYR H 5.440 . 5.440 4.361 4.271 4.558 . 0 0 "[ . 1 . 2]" 1
520 1 29 ILE MG 1 31 TYR QD 4.620 . 4.620 3.837 3.731 3.998 . 0 0 "[ . 1 . 2]" 1
521 1 29 ILE MG 1 31 TYR QE 4.190 . 4.190 3.387 3.285 3.604 . 0 0 "[ . 1 . 2]" 1
522 1 30 CYS H 1 30 CYS HB2 3.300 . 3.300 2.417 2.277 2.490 . 0 0 "[ . 1 . 2]" 1
523 1 30 CYS H 1 30 CYS HB3 3.930 . 3.930 3.551 3.070 3.615 . 0 0 "[ . 1 . 2]" 1
524 1 30 CYS H 1 31 TYR H 4.940 . 4.940 4.357 4.333 4.425 . 0 0 "[ . 1 . 2]" 1
525 1 30 CYS HA 1 31 TYR H 2.820 . 2.820 2.169 2.099 2.183 . 0 0 "[ . 1 . 2]" 1
526 1 30 CYS HA 1 31 TYR QD 4.520 . 4.520 4.060 3.721 4.191 . 0 0 "[ . 1 . 2]" 1
527 1 31 TYR H 1 31 TYR HB2 3.340 . 3.340 2.485 2.434 2.498 . 0 0 "[ . 1 . 2]" 1
528 1 31 TYR H 1 31 TYR HB3 3.950 . 3.950 3.687 3.660 3.696 . 0 0 "[ . 1 . 2]" 1
529 1 31 TYR H 1 31 TYR QD 4.270 . 4.270 2.854 2.778 2.949 . 0 0 "[ . 1 . 2]" 1
530 1 31 TYR H 1 32 ILE H 4.910 . 4.910 4.547 4.518 4.553 . 0 0 "[ . 1 . 2]" 1
531 1 31 TYR HA 1 31 TYR QD 3.740 . 3.740 2.816 2.765 2.901 . 0 0 "[ . 1 . 2]" 1
532 1 31 TYR HA 1 31 TYR QE 5.410 . 5.410 4.603 4.575 4.622 . 0 0 "[ . 1 . 2]" 1
533 1 31 TYR HA 1 32 ILE H 3.040 . 3.040 2.351 2.330 2.432 . 0 0 "[ . 1 . 2]" 1
534 1 31 TYR HA 1 32 ILE HA 5.260 . 5.260 4.361 4.352 4.374 . 0 0 "[ . 1 . 2]" 1
535 1 31 TYR HB2 1 32 ILE H 4.140 . 4.140 3.735 3.621 3.773 . 0 0 "[ . 1 . 2]" 1
536 1 31 TYR HB2 1 32 ILE HA 5.500 . 5.500 5.047 5.004 5.131 . 0 0 "[ . 1 . 2]" 1
537 1 31 TYR HB3 1 32 ILE H 3.570 . 3.570 2.501 2.339 2.554 . 0 0 "[ . 1 . 2]" 1
538 1 31 TYR HB3 1 32 ILE MG 4.110 . 4.110 3.897 3.763 4.014 . 0 0 "[ . 1 . 2]" 1
539 1 31 TYR HB3 1 33 ILE H 5.500 . 5.500 5.507 5.504 5.527 0.027 20 0 "[ . 1 . 2]" 1
540 1 31 TYR QD 1 32 ILE H 4.520 . 4.520 3.557 3.418 3.594 . 0 0 "[ . 1 . 2]" 1
541 1 32 ILE H 1 32 ILE HB 3.470 . 3.470 2.834 2.764 2.870 . 0 0 "[ . 1 . 2]" 1
542 1 32 ILE H 1 32 ILE MD 5.130 . 5.130 4.397 4.340 4.522 . 0 0 "[ . 1 . 2]" 1
543 1 32 ILE H 1 32 ILE HG12 4.950 . 4.950 4.743 4.632 4.761 . 0 0 "[ . 1 . 2]" 1
544 1 32 ILE H 1 32 ILE QG 4.260 . 4.260 4.082 4.061 4.090 . 0 0 "[ . 1 . 2]" 1
545 1 32 ILE H 1 32 ILE HG13 4.950 . 4.950 4.454 4.446 4.493 . 0 0 "[ . 1 . 2]" 1
546 1 32 ILE H 1 32 ILE MG 3.920 . 3.920 2.016 2.000 2.075 . 0 0 "[ . 1 . 2]" 1
547 1 32 ILE HA 1 32 ILE MD 4.370 . 4.370 2.491 2.420 3.351 . 0 0 "[ . 1 . 2]" 1
548 1 32 ILE HA 1 32 ILE HG12 4.150 . 4.150 3.798 3.512 3.821 . 0 0 "[ . 1 . 2]" 1
549 1 32 ILE HA 1 32 ILE QG 3.630 . 3.630 2.725 2.298 2.773 . 0 0 "[ . 1 . 2]" 1
550 1 32 ILE HA 1 32 ILE HG13 4.150 . 4.150 2.793 2.329 2.848 . 0 0 "[ . 1 . 2]" 1
551 1 32 ILE HA 1 32 ILE MG 3.570 . 3.570 3.249 3.248 3.251 . 0 0 "[ . 1 . 2]" 1
552 1 32 ILE HA 1 33 ILE H 2.960 . 2.960 2.121 2.116 2.126 . 0 0 "[ . 1 . 2]" 1
553 1 32 ILE HB 1 33 ILE H 4.340 . 4.340 4.259 4.242 4.272 . 0 0 "[ . 1 . 2]" 1
554 1 32 ILE MD 1 33 ILE H 5.110 . 5.110 3.095 2.967 4.222 . 0 0 "[ . 1 . 2]" 1
555 1 32 ILE HG12 1 33 ILE H 4.700 . 4.700 4.459 3.807 4.515 . 0 0 "[ . 1 . 2]" 1
556 1 32 ILE HG13 1 33 ILE H 4.700 . 4.700 2.829 2.633 2.871 . 0 0 "[ . 1 . 2]" 1
557 1 32 ILE MG 1 33 ILE H 4.460 . 4.460 4.100 4.027 4.115 . 0 0 "[ . 1 . 2]" 1
558 1 33 ILE H 1 33 ILE HB 3.920 . 3.920 3.644 2.683 3.719 . 0 0 "[ . 1 . 2]" 1
559 1 33 ILE H 1 33 ILE MD 5.500 . 5.500 3.250 3.046 3.747 . 0 0 "[ . 1 . 2]" 1
560 1 33 ILE H 1 33 ILE HG12 4.290 . 4.290 3.251 2.636 3.450 . 0 0 "[ . 1 . 2]" 1
561 1 33 ILE H 1 33 ILE QG 3.440 . 3.440 1.855 1.719 2.660 . 0 0 "[ . 1 . 2]" 1
562 1 33 ILE H 1 33 ILE HG13 4.290 . 4.290 1.943 1.724 4.095 . 0 0 "[ . 1 . 2]" 1
563 1 33 ILE H 1 33 ILE MG 4.620 . 4.620 3.137 3.004 3.901 . 0 0 "[ . 1 . 2]" 1
564 1 33 ILE HA 1 33 ILE MG 3.680 . 3.680 2.243 2.215 2.413 . 0 0 "[ . 1 . 2]" 1
stop_
save_