NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581018 |
2mu0   |
25195 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mu0
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 1374
_Distance_constraint_stats_list.Viol_count 1337
_Distance_constraint_stats_list.Viol_total 1035.142
_Distance_constraint_stats_list.Viol_max 0.351
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0387
_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 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.153 0.153 8 0 "[ . 1 . 2]"
1 15 GLN 0.153 0.153 8 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.378 0.110 12 0 "[ . 1 . 2]"
1 22 MET 1.136 0.140 7 0 "[ . 1 . 2]"
1 23 ASP 0.835 0.066 2 0 "[ . 1 . 2]"
1 24 VAL 0.616 0.146 6 0 "[ . 1 . 2]"
1 25 THR 0.056 0.023 6 0 "[ . 1 . 2]"
1 26 ILE 3.123 0.152 15 0 "[ . 1 . 2]"
1 27 TYR 0.260 0.035 6 0 "[ . 1 . 2]"
1 30 PRO 2.286 0.168 11 0 "[ . 1 . 2]"
1 31 VAL 2.615 0.168 11 0 "[ . 1 . 2]"
1 32 CYS 0.079 0.075 9 0 "[ . 1 . 2]"
1 34 THR 0.200 0.043 16 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.919 0.162 16 0 "[ . 1 . 2]"
1 37 LYS 0.224 0.128 10 0 "[ . 1 . 2]"
1 38 VAL 1.060 0.085 10 0 "[ . 1 . 2]"
1 39 LEU 0.901 0.074 10 0 "[ . 1 . 2]"
1 40 GLY 0.089 0.049 3 0 "[ . 1 . 2]"
1 41 MET 0.839 0.090 9 0 "[ . 1 . 2]"
1 42 ILE 0.628 0.107 17 0 "[ . 1 . 2]"
1 43 ARG 0.647 0.147 16 0 "[ . 1 . 2]"
1 44 GLU 0.083 0.081 4 0 "[ . 1 . 2]"
1 45 ALA 0.297 0.047 4 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 1.562 0.140 7 0 "[ . 1 . 2]"
1 48 GLU 0.115 0.030 16 0 "[ . 1 . 2]"
1 49 PRO 0.662 0.146 6 0 "[ . 1 . 2]"
1 50 HIS 0.123 0.046 6 0 "[ . 1 . 2]"
1 51 VAL 0.056 0.026 1 0 "[ . 1 . 2]"
1 52 ILE 0.608 0.086 6 0 "[ . 1 . 2]"
1 53 GLU 0.401 0.086 6 0 "[ . 1 . 2]"
1 54 TYR 0.141 0.034 9 0 "[ . 1 . 2]"
1 57 THR 0.854 0.242 2 0 "[ . 1 . 2]"
1 58 PRO 0.625 0.242 2 0 "[ . 1 . 2]"
1 59 LEU 0.204 0.119 8 0 "[ . 1 . 2]"
1 60 PRO 0.733 0.206 7 0 "[ . 1 . 2]"
1 61 ARG 0.519 0.113 14 0 "[ . 1 . 2]"
1 62 ASP 1.323 0.103 16 0 "[ . 1 . 2]"
1 63 MET 0.679 0.206 7 0 "[ . 1 . 2]"
1 64 LEU 1.528 0.085 8 0 "[ . 1 . 2]"
1 65 VAL 1.182 0.104 16 0 "[ . 1 . 2]"
1 66 GLU 0.384 0.130 17 0 "[ . 1 . 2]"
1 67 LEU 0.579 0.208 18 0 "[ . 1 . 2]"
1 68 LEU 0.660 0.130 17 0 "[ . 1 . 2]"
1 69 ARG 0.018 0.014 6 0 "[ . 1 . 2]"
1 70 GLN 0.018 0.014 6 0 "[ . 1 . 2]"
1 71 MET 0.604 0.208 18 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ILE 0.590 0.108 13 0 "[ . 1 . 2]"
1 74 SER 0.319 0.111 13 0 "[ . 1 . 2]"
1 75 PRO 1.832 0.141 9 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.555 0.033 5 0 "[ . 1 . 2]"
1 78 LEU 0.096 0.025 12 0 "[ . 1 . 2]"
1 79 LEU 2.887 0.080 5 0 "[ . 1 . 2]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 10.243 0.351 15 0 "[ . 1 . 2]"
1 82 LYS 0.108 0.107 2 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 0.074 0.015 3 0 "[ . 1 . 2]"
1 86 TYR 15.885 0.351 15 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.003 0.003 20 0 "[ . 1 . 2]"
1 89 LEU 0.298 0.024 12 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 2.317 0.119 15 0 "[ . 1 . 2]"
1 92 ASP 2.431 0.176 20 0 "[ . 1 . 2]"
1 93 ASP 0.541 0.200 18 0 "[ . 1 . 2]"
1 94 PRO 0.977 0.176 20 0 "[ . 1 . 2]"
1 95 ALA 0.039 0.027 13 0 "[ . 1 . 2]"
1 96 LEU 0.541 0.200 18 0 "[ . 1 . 2]"
1 97 SER 0.351 0.082 20 0 "[ . 1 . 2]"
1 98 ASP 0.307 0.060 18 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 VAL 0.230 0.082 20 0 "[ . 1 . 2]"
1 101 LEU 0.593 0.060 18 0 "[ . 1 . 2]"
1 102 ILE 3.287 0.141 9 0 "[ . 1 . 2]"
1 103 ASP 1.099 0.077 9 0 "[ . 1 . 2]"
1 104 ALA 0.807 0.035 4 0 "[ . 1 . 2]"
1 105 MET 1.059 0.131 4 0 "[ . 1 . 2]"
1 106 ILE 3.358 0.103 16 0 "[ . 1 . 2]"
1 107 SER 0.766 0.079 8 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 VAL 0.235 0.070 12 0 "[ . 1 . 2]"
1 111 LEU 0.288 0.036 4 0 "[ . 1 . 2]"
1 112 MET 0.411 0.080 12 0 "[ . 1 . 2]"
1 113 ASN 1.294 0.120 17 0 "[ . 1 . 2]"
1 114 ARG 0.059 0.049 11 0 "[ . 1 . 2]"
1 115 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 0.784 0.090 17 0 "[ . 1 . 2]"
1 117 VAL 0.684 0.118 10 0 "[ . 1 . 2]"
1 118 VAL 0.793 0.151 15 0 "[ . 1 . 2]"
1 119 THR 0.311 0.118 10 0 "[ . 1 . 2]"
1 120 PRO 0.678 0.066 2 0 "[ . 1 . 2]"
1 121 LYS 0.227 0.044 5 0 "[ . 1 . 2]"
1 122 GLY 0.283 0.030 18 0 "[ . 1 . 2]"
1 123 VAL 0.187 0.072 18 0 "[ . 1 . 2]"
1 124 ARG 0.304 0.065 15 0 "[ . 1 . 2]"
1 125 LEU 1.353 0.120 17 0 "[ . 1 . 2]"
1 126 CYS 2.402 0.152 15 0 "[ . 1 . 2]"
1 127 ARG 1.360 0.147 1 0 "[ . 1 . 2]"
1 128 PRO 0.090 0.045 14 0 "[ . 1 . 2]"
1 129 ALA 0.250 0.128 10 0 "[ . 1 . 2]"
1 130 GLU 0.209 0.092 1 0 "[ . 1 . 2]"
1 131 THR 1.500 0.147 1 0 "[ . 1 . 2]"
1 132 VAL 1.464 0.090 9 0 "[ . 1 . 2]"
1 133 GLN 0.171 0.023 10 0 "[ . 1 . 2]"
1 134 GLU 0.011 0.011 10 0 "[ . 1 . 2]"
1 135 LEU 0.943 0.086 1 0 "[ . 1 . 2]"
1 136 LEU 0.663 0.086 1 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 11 THR HA 1 11 THR MG . . 3.240 2.697 2.028 3.205 . 0 0 "[ . 1 . 2]" 1
2 1 16 THR HB 1 17 GLN H . . 4.320 3.136 1.945 4.269 . 0 0 "[ . 1 . 2]" 1
3 1 18 GLY HA3 1 19 PRO HD2 . . 3.360 2.191 2.065 2.468 . 0 0 "[ . 1 . 2]" 1
4 1 18 GLY HA2 1 19 PRO HD2 . . 3.360 2.879 2.558 3.033 . 0 0 "[ . 1 . 2]" 1
5 1 18 GLY HA2 1 19 PRO HD3 . . 3.360 2.616 2.373 2.741 . 0 0 "[ . 1 . 2]" 1
6 1 18 GLY HA3 1 19 PRO HD3 . . 3.360 3.043 2.891 3.355 . 0 0 "[ . 1 . 2]" 1
7 1 23 ASP H 1 23 ASP HB3 . . 3.830 3.710 3.425 3.838 0.008 17 0 "[ . 1 . 2]" 1
8 1 22 MET HA 1 23 ASP HB2 . . 4.570 4.377 4.044 4.591 0.021 19 0 "[ . 1 . 2]" 1
9 1 23 ASP HB2 1 120 PRO HD3 . . 4.660 4.065 3.715 4.342 . 0 0 "[ . 1 . 2]" 1
10 1 23 ASP HB3 1 120 PRO HD3 . . 4.530 3.914 3.805 4.011 . 0 0 "[ . 1 . 2]" 1
11 1 23 ASP HB3 1 120 PRO HA . . 5.500 5.312 4.660 5.525 0.025 15 0 "[ . 1 . 2]" 1
12 1 23 ASP HB2 1 120 PRO HD2 . . 5.500 5.314 5.018 5.503 0.003 4 0 "[ . 1 . 2]" 1
13 1 23 ASP HB3 1 120 PRO HD2 . . 5.500 5.526 5.457 5.566 0.066 2 0 "[ . 1 . 2]" 1
14 1 24 VAL HA 1 26 ILE MD . . 4.500 4.291 4.051 4.503 0.003 12 0 "[ . 1 . 2]" 1
15 1 24 VAL HA 1 118 VAL HB . . 4.830 4.701 4.321 4.861 0.031 17 0 "[ . 1 . 2]" 1
16 1 117 VAL HA 1 118 VAL HB . . 4.720 4.663 4.596 4.732 0.012 10 0 "[ . 1 . 2]" 1
17 1 25 THR MG 1 118 VAL HB . . 5.060 4.227 3.662 4.636 . 0 0 "[ . 1 . 2]" 1
18 1 26 ILE MD 1 118 VAL HB . . 5.500 4.426 4.040 4.714 . 0 0 "[ . 1 . 2]" 1
19 1 24 VAL H 1 24 VAL MG1 . . 4.060 3.492 2.103 3.924 . 0 0 "[ . 1 . 2]" 1
20 1 24 VAL H 1 24 VAL MG2 . . 4.060 2.613 1.956 3.911 . 0 0 "[ . 1 . 2]" 1
21 1 65 VAL HA 1 65 VAL MG2 . . 3.290 2.394 2.316 2.433 . 0 0 "[ . 1 . 2]" 1
22 1 65 VAL MG2 1 66 GLU H . . 3.850 3.624 3.472 3.954 0.104 16 0 "[ . 1 . 2]" 1
23 1 25 THR HA 1 50 HIS H . . 3.960 2.322 1.989 2.819 . 0 0 "[ . 1 . 2]" 1
24 1 25 THR HA 1 50 HIS HB2 . . 4.580 2.984 2.191 4.532 . 0 0 "[ . 1 . 2]" 1
25 1 25 THR HA 1 50 HIS HB3 . . 4.580 3.704 2.334 4.421 . 0 0 "[ . 1 . 2]" 1
26 1 25 THR H 1 25 THR HB . . 3.850 2.882 2.631 3.170 . 0 0 "[ . 1 . 2]" 1
27 1 25 THR HB 1 118 VAL HB . . 3.580 2.756 2.448 3.084 . 0 0 "[ . 1 . 2]" 1
28 1 25 THR HB 1 118 VAL QG . . 3.910 3.286 3.098 3.571 . 0 0 "[ . 1 . 2]" 1
29 1 25 THR HA 1 25 THR MG . . 3.250 2.212 1.970 2.410 . 0 0 "[ . 1 . 2]" 1
30 1 25 THR MG 1 50 HIS H . . 3.800 3.621 3.281 3.823 0.023 6 0 "[ . 1 . 2]" 1
31 1 31 VAL HA 1 31 VAL MG1 . . 3.490 2.787 2.148 3.195 . 0 0 "[ . 1 . 2]" 1
32 1 31 VAL H 1 31 VAL MG1 . . 3.870 2.849 1.909 3.929 0.059 3 0 "[ . 1 . 2]" 1
33 1 31 VAL H 1 31 VAL MG2 . . 3.870 3.233 2.266 3.947 0.077 7 0 "[ . 1 . 2]" 1
34 1 31 VAL MG2 1 32 CYS H . . 4.270 3.361 1.959 4.199 . 0 0 "[ . 1 . 2]" 1
35 1 31 VAL HA 1 31 VAL MG2 . . 3.490 2.416 1.993 3.187 . 0 0 "[ . 1 . 2]" 1
36 1 34 THR HA 1 37 LYS H . . 4.690 3.543 3.376 3.724 . 0 0 "[ . 1 . 2]" 1
37 1 34 THR MG 1 35 SER H . . 4.530 3.724 2.723 4.141 . 0 0 "[ . 1 . 2]" 1
38 1 34 THR MG 1 38 VAL H . . 5.490 4.917 3.670 5.533 0.043 16 0 "[ . 1 . 2]" 1
39 1 34 THR HA 1 34 THR MG . . 3.130 2.209 1.976 2.413 . 0 0 "[ . 1 . 2]" 1
40 1 34 THR MG 1 37 LYS HB2 . . 5.390 4.974 4.587 5.407 0.017 13 0 "[ . 1 . 2]" 1
41 1 34 THR MG 1 37 LYS HB3 . . 5.390 4.229 3.565 4.769 . 0 0 "[ . 1 . 2]" 1
42 1 36 ARG HA 1 39 LEU HG . . 4.660 4.369 3.995 4.664 0.004 7 0 "[ . 1 . 2]" 1
43 1 36 ARG HB3 1 37 LYS H . . 4.710 3.432 2.616 4.068 . 0 0 "[ . 1 . 2]" 1
44 1 36 ARG HB2 1 37 LYS H . . 4.710 3.189 2.499 4.086 . 0 0 "[ . 1 . 2]" 1
45 1 37 LYS HA 1 37 LYS HD2 . . 5.190 4.035 2.062 4.683 . 0 0 "[ . 1 . 2]" 1
46 1 37 LYS HA 1 37 LYS HD3 . . 5.190 3.579 2.001 4.920 . 0 0 "[ . 1 . 2]" 1
47 1 38 VAL HA 1 38 VAL MG1 . . 3.460 2.600 2.207 3.201 . 0 0 "[ . 1 . 2]" 1
48 1 38 VAL H 1 38 VAL MG1 . . 4.040 2.774 1.887 3.764 . 0 0 "[ . 1 . 2]" 1
49 1 39 LEU HA 1 39 LEU HG . . 4.190 3.090 2.808 3.665 . 0 0 "[ . 1 . 2]" 1
50 1 67 LEU HA 1 67 LEU MD1 . . 3.880 2.836 2.031 3.846 . 0 0 "[ . 1 . 2]" 1
51 1 39 LEU H 1 39 LEU HG . . 4.430 3.027 2.403 4.165 . 0 0 "[ . 1 . 2]" 1
52 1 39 LEU H 1 39 LEU MD1 . . 4.960 3.832 3.578 4.206 . 0 0 "[ . 1 . 2]" 1
53 1 39 LEU H 1 39 LEU MD2 . . 4.960 3.391 2.448 3.835 . 0 0 "[ . 1 . 2]" 1
54 1 39 LEU MD1 1 40 GLY H . . 5.500 4.643 4.460 4.765 . 0 0 "[ . 1 . 2]" 1
55 1 39 LEU MD2 1 40 GLY H . . 5.500 4.585 4.313 4.717 . 0 0 "[ . 1 . 2]" 1
56 1 41 MET HA 1 41 MET HG2 . . 3.870 2.790 2.228 3.036 . 0 0 "[ . 1 . 2]" 1
57 1 41 MET HA 1 44 GLU H . . 4.050 3.795 3.613 3.942 . 0 0 "[ . 1 . 2]" 1
58 1 41 MET H 1 41 MET HG3 . . 4.030 3.543 2.914 3.771 . 0 0 "[ . 1 . 2]" 1
59 1 41 MET HA 1 41 MET HG3 . . 3.870 3.716 3.465 3.768 . 0 0 "[ . 1 . 2]" 1
60 1 38 VAL HA 1 41 MET HG2 . . 4.760 4.127 3.583 4.766 0.006 8 0 "[ . 1 . 2]" 1
61 1 38 VAL HA 1 41 MET HG3 . . 4.760 3.811 3.249 4.504 . 0 0 "[ . 1 . 2]" 1
62 1 42 ILE HA 1 45 ALA MB . . 3.920 2.250 1.982 2.638 . 0 0 "[ . 1 . 2]" 1
63 1 42 ILE HA 1 42 ILE MG . . 3.160 2.337 2.262 2.415 . 0 0 "[ . 1 . 2]" 1
64 1 42 ILE HA 1 42 ILE HG12 . . 4.180 2.677 2.552 2.777 . 0 0 "[ . 1 . 2]" 1
65 1 42 ILE HB 1 43 ARG H . . 4.230 2.294 2.226 2.491 . 0 0 "[ . 1 . 2]" 1
66 1 39 LEU HA 1 42 ILE HB . . 4.280 2.993 2.624 3.388 . 0 0 "[ . 1 . 2]" 1
67 1 42 ILE H 1 42 ILE HG12 . . 4.230 3.413 3.096 3.724 . 0 0 "[ . 1 . 2]" 1
68 1 42 ILE H 1 42 ILE MD . . 3.790 3.378 3.232 3.553 . 0 0 "[ . 1 . 2]" 1
69 1 42 ILE MD 1 43 ARG H . . 4.810 4.168 4.007 4.352 . 0 0 "[ . 1 . 2]" 1
70 1 39 LEU HA 1 42 ILE MD . . 3.590 2.797 2.366 3.342 . 0 0 "[ . 1 . 2]" 1
71 1 42 ILE HB 1 42 ILE MD . . 3.270 2.298 2.138 2.442 . 0 0 "[ . 1 . 2]" 1
72 1 42 ILE MD 1 49 PRO HG2 . . 4.280 3.313 2.808 3.820 . 0 0 "[ . 1 . 2]" 1
73 1 42 ILE MG 1 48 GLU HA . . 4.540 3.667 3.300 3.939 . 0 0 "[ . 1 . 2]" 1
74 1 42 ILE MG 1 49 PRO HD3 . . 3.620 1.895 1.858 1.972 . 0 0 "[ . 1 . 2]" 1
75 1 42 ILE MG 1 45 ALA MB . . 3.630 3.442 3.232 3.657 0.027 1 0 "[ . 1 . 2]" 1
76 1 42 ILE HA 1 42 ILE HG13 . . 4.180 2.926 2.723 3.178 . 0 0 "[ . 1 . 2]" 1
77 1 42 ILE H 1 42 ILE HG13 . . 4.230 2.026 1.927 2.321 . 0 0 "[ . 1 . 2]" 1
78 1 43 ARG H 1 43 ARG HD3 . . 4.850 4.124 3.071 4.881 0.031 16 0 "[ . 1 . 2]" 1
79 1 43 ARG H 1 43 ARG HD2 . . 4.850 4.250 2.190 4.881 0.031 16 0 "[ . 1 . 2]" 1
80 1 44 GLU H 1 44 GLU HB3 . . 3.690 3.388 2.337 3.589 . 0 0 "[ . 1 . 2]" 1
81 1 44 GLU H 1 44 GLU HG2 . . 4.010 3.412 2.204 4.009 . 0 0 "[ . 1 . 2]" 1
82 1 44 GLU H 1 44 GLU HG3 . . 4.010 3.125 2.507 4.012 0.002 14 0 "[ . 1 . 2]" 1
83 1 45 ALA H 1 45 ALA MB . . 2.880 2.094 2.040 2.226 . 0 0 "[ . 1 . 2]" 1
84 1 45 ALA MB 1 46 GLY H . . 3.780 2.924 2.865 2.947 . 0 0 "[ . 1 . 2]" 1
85 1 47 ILE HA 1 47 ILE HG12 . . 4.050 2.927 2.454 3.364 . 0 0 "[ . 1 . 2]" 1
86 1 47 ILE H 1 47 ILE HB . . 3.810 2.849 2.757 2.946 . 0 0 "[ . 1 . 2]" 1
87 1 42 ILE MG 1 47 ILE HB . . 3.570 1.863 1.840 1.908 . 0 0 "[ . 1 . 2]" 1
88 1 47 ILE HA 1 47 ILE HG13 . . 4.050 3.484 2.907 3.855 . 0 0 "[ . 1 . 2]" 1
89 1 47 ILE HA 1 47 ILE MG . . 3.290 2.279 2.085 2.454 . 0 0 "[ . 1 . 2]" 1
90 1 47 ILE MG 1 49 PRO HA . . 3.980 3.592 3.384 3.903 . 0 0 "[ . 1 . 2]" 1
91 1 47 ILE MG 1 48 GLU H . . 3.430 2.144 1.920 2.325 . 0 0 "[ . 1 . 2]" 1
92 1 22 MET HB2 1 47 ILE MG . . 4.550 3.164 1.957 4.562 0.012 4 0 "[ . 1 . 2]" 1
93 1 22 MET HB3 1 47 ILE MG . . 4.550 3.101 2.075 4.099 . 0 0 "[ . 1 . 2]" 1
94 1 24 VAL H 1 47 ILE MG . . 4.370 3.861 3.468 4.164 . 0 0 "[ . 1 . 2]" 1
95 1 47 ILE H 1 47 ILE MG . . 4.100 3.920 3.864 3.944 . 0 0 "[ . 1 . 2]" 1
96 1 47 ILE MG 1 48 GLU HA . . 4.460 3.778 3.482 4.053 . 0 0 "[ . 1 . 2]" 1
97 1 24 VAL HA 1 47 ILE MG . . 5.390 5.031 4.500 5.295 . 0 0 "[ . 1 . 2]" 1
98 1 22 MET HA 1 47 ILE MG . . 4.780 3.060 1.965 4.603 . 0 0 "[ . 1 . 2]" 1
99 1 47 ILE H 1 47 ILE MD . . 4.480 3.869 3.246 4.418 . 0 0 "[ . 1 . 2]" 1
100 1 22 MET HA 1 47 ILE MD . . 4.360 4.064 3.463 4.500 0.140 7 0 "[ . 1 . 2]" 1
101 1 47 ILE HA 1 47 ILE MD . . 4.060 2.758 1.974 3.829 . 0 0 "[ . 1 . 2]" 1
102 1 42 ILE HA 1 47 ILE MD . . 5.430 5.088 4.292 5.537 0.107 17 0 "[ . 1 . 2]" 1
103 1 45 ALA MB 1 47 ILE MD . . 3.630 3.590 3.031 3.677 0.047 4 0 "[ . 1 . 2]" 1
104 1 48 GLU HA 1 49 PRO HD2 . . 3.370 1.980 1.934 2.028 . 0 0 "[ . 1 . 2]" 1
105 1 25 THR MG 1 50 HIS HB2 . . 4.740 2.791 1.985 4.300 . 0 0 "[ . 1 . 2]" 1
106 1 25 THR MG 1 50 HIS HB3 . . 4.740 2.744 1.975 3.360 . 0 0 "[ . 1 . 2]" 1
107 1 26 ILE MD 1 49 PRO HA . . 4.710 4.041 3.503 4.719 0.009 13 0 "[ . 1 . 2]" 1
108 1 26 ILE MD 1 49 PRO HB2 . . 4.220 2.848 1.972 3.600 . 0 0 "[ . 1 . 2]" 1
109 1 26 ILE MD 1 49 PRO HB3 . . 4.220 2.843 2.573 3.144 . 0 0 "[ . 1 . 2]" 1
110 1 51 VAL HA 1 52 ILE HB . . 4.640 4.628 4.576 4.666 0.026 1 0 "[ . 1 . 2]" 1
111 1 51 VAL H 1 51 VAL MG1 . . 4.500 2.821 1.938 3.806 . 0 0 "[ . 1 . 2]" 1
112 1 51 VAL H 1 51 VAL MG2 . . 4.500 2.443 1.903 3.790 . 0 0 "[ . 1 . 2]" 1
113 1 51 VAL MG1 1 52 ILE H . . 4.970 3.665 2.728 4.142 . 0 0 "[ . 1 . 2]" 1
114 1 51 VAL MG2 1 52 ILE H . . 4.970 3.867 2.605 4.234 . 0 0 "[ . 1 . 2]" 1
115 1 52 ILE HA 1 52 ILE HG12 . . 4.010 2.643 2.483 3.059 . 0 0 "[ . 1 . 2]" 1
116 1 52 ILE HA 1 52 ILE HG13 . . 4.010 3.187 2.798 3.739 . 0 0 "[ . 1 . 2]" 1
117 1 52 ILE MG 1 53 GLU H . . 3.830 2.604 2.177 3.035 . 0 0 "[ . 1 . 2]" 1
118 1 52 ILE H 1 52 ILE MG . . 4.310 3.845 3.795 3.865 . 0 0 "[ . 1 . 2]" 1
119 1 27 TYR QD 1 52 ILE MG . . 3.650 2.752 1.932 3.353 . 0 0 "[ . 1 . 2]" 1
120 1 27 TYR QE 1 52 ILE MG . . 3.640 2.672 1.969 3.631 . 0 0 "[ . 1 . 2]" 1
121 1 27 TYR HA 1 52 ILE MG . . 4.520 4.169 3.307 4.534 0.014 7 0 "[ . 1 . 2]" 1
122 1 52 ILE HA 1 52 ILE MG . . 3.330 2.368 2.299 2.406 . 0 0 "[ . 1 . 2]" 1
123 1 52 ILE H 1 52 ILE MD . . 4.320 4.004 3.533 4.169 . 0 0 "[ . 1 . 2]" 1
124 1 50 HIS H 1 52 ILE MD . . 5.500 5.454 5.322 5.518 0.018 6 0 "[ . 1 . 2]" 1
125 1 52 ILE MD 1 53 GLU H . . 5.500 4.702 3.305 5.343 . 0 0 "[ . 1 . 2]" 1
126 1 27 TYR QE 1 52 ILE MD . . 3.600 2.594 1.966 3.618 0.018 14 0 "[ . 1 . 2]" 1
127 1 52 ILE HA 1 52 ILE MD . . 3.980 3.360 1.964 3.881 . 0 0 "[ . 1 . 2]" 1
128 1 50 HIS HB2 1 52 ILE MD . . 5.060 4.024 3.694 5.007 . 0 0 "[ . 1 . 2]" 1
129 1 50 HIS HB3 1 52 ILE MD . . 5.060 3.217 2.702 3.646 . 0 0 "[ . 1 . 2]" 1
130 1 52 ILE HB 1 52 ILE MD . . 3.390 2.558 2.167 3.219 . 0 0 "[ . 1 . 2]" 1
131 1 52 ILE MD 1 52 ILE MG . . 2.670 2.061 1.908 2.293 . 0 0 "[ . 1 . 2]" 1
132 1 57 THR H 1 57 THR HB . . 4.010 3.549 2.722 4.055 0.045 8 0 "[ . 1 . 2]" 1
133 1 57 THR HB 1 58 PRO HD2 . . 5.500 4.494 3.759 4.838 . 0 0 "[ . 1 . 2]" 1
134 1 57 THR HB 1 58 PRO HD3 . . 5.500 4.956 4.657 5.041 . 0 0 "[ . 1 . 2]" 1
135 1 57 THR H 1 57 THR MG . . 4.070 3.568 2.508 4.053 . 0 0 "[ . 1 . 2]" 1
136 1 57 THR HA 1 57 THR MG . . 3.130 2.244 1.972 3.204 0.074 5 0 "[ . 1 . 2]" 1
137 1 58 PRO HB3 1 59 LEU H . . 4.320 3.756 3.203 4.290 . 0 0 "[ . 1 . 2]" 1
138 1 58 PRO HB2 1 59 LEU H . . 4.320 3.107 2.056 3.939 . 0 0 "[ . 1 . 2]" 1
139 1 60 PRO HB3 1 63 MET H . . 4.810 4.684 4.509 4.852 0.042 14 0 "[ . 1 . 2]" 1
140 1 60 PRO HB2 1 63 MET H . . 4.090 3.292 3.030 3.712 . 0 0 "[ . 1 . 2]" 1
141 1 60 PRO HB2 1 64 LEU H . . 5.320 4.987 4.756 5.252 . 0 0 "[ . 1 . 2]" 1
142 1 60 PRO HB3 1 61 ARG H . . 4.230 3.491 3.224 3.656 . 0 0 "[ . 1 . 2]" 1
143 1 60 PRO HB3 1 62 ASP H . . 4.770 4.476 4.103 4.548 . 0 0 "[ . 1 . 2]" 1
144 1 59 LEU HB2 1 60 PRO HD2 . . 4.790 3.197 1.963 3.965 . 0 0 "[ . 1 . 2]" 1
145 1 59 LEU HA 1 60 PRO HD3 . . 3.270 2.335 2.254 2.605 . 0 0 "[ . 1 . 2]" 1
146 1 61 ARG HA 1 106 ILE HG13 . . 3.580 3.288 2.909 3.590 0.010 9 0 "[ . 1 . 2]" 1
147 1 61 ARG HA 1 61 ARG HG2 . . 4.200 3.689 3.582 4.161 . 0 0 "[ . 1 . 2]" 1
148 1 61 ARG HA 1 64 LEU H . . 4.600 3.439 3.246 3.682 . 0 0 "[ . 1 . 2]" 1
149 1 61 ARG HB3 1 62 ASP H . . 4.530 3.884 3.862 3.911 . 0 0 "[ . 1 . 2]" 1
150 1 61 ARG HB2 1 62 ASP H . . 4.530 3.461 3.382 4.023 . 0 0 "[ . 1 . 2]" 1
151 1 61 ARG HB2 1 102 ILE MG . . 4.670 2.482 1.937 2.682 . 0 0 "[ . 1 . 2]" 1
152 1 61 ARG HB3 1 102 ILE MG . . 4.670 3.700 3.256 3.920 . 0 0 "[ . 1 . 2]" 1
153 1 61 ARG HA 1 61 ARG HG3 . . 4.200 3.864 3.572 4.228 0.028 16 0 "[ . 1 . 2]" 1
154 1 61 ARG HD2 1 102 ILE MG . . 5.010 3.906 2.652 5.011 0.001 7 0 "[ . 1 . 2]" 1
155 1 62 ASP HA 1 65 VAL HB . . 4.110 3.530 2.795 4.195 0.085 12 0 "[ . 1 . 2]" 1
156 1 62 ASP HA 1 65 VAL MG2 . . 4.530 3.217 1.983 4.500 . 0 0 "[ . 1 . 2]" 1
157 1 62 ASP HB3 1 63 MET H . . 4.600 2.896 2.097 3.836 . 0 0 "[ . 1 . 2]" 1
158 1 64 LEU H 1 64 LEU HB3 . . 4.120 2.526 2.396 2.726 . 0 0 "[ . 1 . 2]" 1
159 1 64 LEU HB3 1 65 VAL H . . 4.760 2.615 2.373 2.768 . 0 0 "[ . 1 . 2]" 1
160 1 64 LEU HB3 1 106 ILE MD . . 4.070 2.654 2.306 2.958 . 0 0 "[ . 1 . 2]" 1
161 1 64 LEU HB2 1 65 VAL H . . 3.940 3.859 3.639 4.001 0.061 5 0 "[ . 1 . 2]" 1
162 1 64 LEU H 1 64 LEU MD2 . . 4.910 4.103 3.928 4.236 . 0 0 "[ . 1 . 2]" 1
163 1 64 LEU MD1 1 65 VAL HA . . 5.500 5.174 4.563 5.453 . 0 0 "[ . 1 . 2]" 1
164 1 64 LEU MD2 1 65 VAL HA . . 5.500 3.934 2.588 5.048 . 0 0 "[ . 1 . 2]" 1
165 1 65 VAL HA 1 68 LEU HB3 . . 4.370 3.575 3.174 3.881 . 0 0 "[ . 1 . 2]" 1
166 1 65 VAL HA 1 68 LEU HB2 . . 5.030 4.767 4.529 4.944 . 0 0 "[ . 1 . 2]" 1
167 1 65 VAL HB 1 66 GLU H . . 4.110 3.103 2.263 3.969 . 0 0 "[ . 1 . 2]" 1
168 1 65 VAL H 1 65 VAL MG1 . . 3.860 2.941 1.891 3.768 . 0 0 "[ . 1 . 2]" 1
169 1 65 VAL MG1 1 66 GLU H . . 3.850 2.812 2.011 3.580 . 0 0 "[ . 1 . 2]" 1
170 1 62 ASP HA 1 65 VAL MG1 . . 4.530 3.191 1.921 4.422 . 0 0 "[ . 1 . 2]" 1
171 1 65 VAL HA 1 65 VAL MG1 . . 3.290 2.738 2.329 3.204 . 0 0 "[ . 1 . 2]" 1
172 1 66 GLU HA 1 68 LEU H . . 4.970 4.624 4.508 4.771 . 0 0 "[ . 1 . 2]" 1
173 1 66 GLU HA 1 66 GLU HG2 . . 4.240 3.484 2.668 3.831 . 0 0 "[ . 1 . 2]" 1
174 1 66 GLU H 1 66 GLU HB2 . . 4.150 2.840 2.632 3.595 . 0 0 "[ . 1 . 2]" 1
175 1 66 GLU H 1 66 GLU HB3 . . 4.150 2.467 2.347 3.580 . 0 0 "[ . 1 . 2]" 1
176 1 66 GLU HA 1 66 GLU HG3 . . 4.240 2.875 2.545 3.768 . 0 0 "[ . 1 . 2]" 1
177 1 68 LEU HB3 1 69 ARG H . . 4.630 3.648 3.526 3.733 . 0 0 "[ . 1 . 2]" 1
178 1 68 LEU HB2 1 69 ARG H . . 4.460 4.075 4.012 4.140 . 0 0 "[ . 1 . 2]" 1
179 1 68 LEU H 1 68 LEU HB2 . . 3.540 3.520 3.462 3.556 0.016 14 0 "[ . 1 . 2]" 1
180 1 69 ARG H 1 69 ARG HB3 . . 3.690 2.397 2.322 2.458 . 0 0 "[ . 1 . 2]" 1
181 1 69 ARG HB3 1 70 GLN H . . 4.010 3.745 3.691 3.805 . 0 0 "[ . 1 . 2]" 1
182 1 69 ARG HA 1 69 ARG HG3 . . 3.890 3.652 3.604 3.687 . 0 0 "[ . 1 . 2]" 1
183 1 69 ARG HA 1 69 ARG HG2 . . 3.890 3.797 3.787 3.807 . 0 0 "[ . 1 . 2]" 1
184 1 69 ARG H 1 69 ARG HD3 . . 4.880 4.450 4.039 4.846 . 0 0 "[ . 1 . 2]" 1
185 1 69 ARG H 1 69 ARG HD2 . . 4.880 4.301 4.023 4.827 . 0 0 "[ . 1 . 2]" 1
186 1 66 GLU HA 1 69 ARG HD3 . . 4.650 2.171 2.034 2.419 . 0 0 "[ . 1 . 2]" 1
187 1 66 GLU HA 1 69 ARG HD2 . . 4.650 2.941 2.303 3.655 . 0 0 "[ . 1 . 2]" 1
188 1 70 GLN H 1 70 GLN HG2 . . 3.940 3.155 2.337 3.891 . 0 0 "[ . 1 . 2]" 1
189 1 70 GLN H 1 70 GLN HG3 . . 3.940 3.085 2.591 3.635 . 0 0 "[ . 1 . 2]" 1
190 1 70 GLN HA 1 70 GLN HG3 . . 4.010 3.270 2.871 3.686 . 0 0 "[ . 1 . 2]" 1
191 1 70 GLN HA 1 70 GLN HG2 . . 4.010 3.047 2.395 3.809 . 0 0 "[ . 1 . 2]" 1
192 1 71 MET H 1 71 MET HG2 . . 4.760 4.294 3.944 4.645 . 0 0 "[ . 1 . 2]" 1
193 1 71 MET H 1 71 MET HG3 . . 4.760 3.561 3.091 4.441 . 0 0 "[ . 1 . 2]" 1
194 1 71 MET H 1 72 ALA HA . . 5.490 5.294 5.239 5.331 . 0 0 "[ . 1 . 2]" 1
195 1 72 ALA H 1 72 ALA MB . . 3.300 2.499 2.427 2.551 . 0 0 "[ . 1 . 2]" 1
196 1 71 MET H 1 72 ALA MB . . 5.100 4.912 4.858 4.968 . 0 0 "[ . 1 . 2]" 1
197 1 72 ALA MB 1 73 ILE H . . 3.840 2.043 1.923 2.212 . 0 0 "[ . 1 . 2]" 1
198 1 73 ILE H 1 73 ILE MD . . 4.060 1.868 1.860 1.954 . 0 0 "[ . 1 . 2]" 1
199 1 73 ILE MD 1 74 SER H . . 4.230 4.057 3.799 4.105 . 0 0 "[ . 1 . 2]" 1
200 1 69 ARG HA 1 73 ILE MD . . 4.440 4.293 4.187 4.356 . 0 0 "[ . 1 . 2]" 1
201 1 73 ILE MD 1 77 ALA MB . . 3.200 3.173 2.938 3.220 0.020 4 0 "[ . 1 . 2]" 1
202 1 73 ILE MD 1 73 ILE MG . . 2.640 1.911 1.902 1.930 . 0 0 "[ . 1 . 2]" 1
203 1 73 ILE H 1 73 ILE MG . . 3.740 2.784 2.708 2.804 . 0 0 "[ . 1 . 2]" 1
204 1 73 ILE MG 1 74 SER H . . 3.950 3.841 3.820 3.880 . 0 0 "[ . 1 . 2]" 1
205 1 73 ILE H 1 73 ILE HG12 . . 4.340 3.561 3.520 3.737 . 0 0 "[ . 1 . 2]" 1
206 1 73 ILE HB 1 77 ALA MB . . 3.600 3.608 3.533 3.633 0.033 5 0 "[ . 1 . 2]" 1
207 1 74 SER H 1 74 SER HB2 . . 3.520 2.210 2.118 3.423 . 0 0 "[ . 1 . 2]" 1
208 1 74 SER HB2 1 77 ALA H . . 4.780 4.140 3.946 4.793 0.013 13 0 "[ . 1 . 2]" 1
209 1 74 SER HB3 1 77 ALA H . . 4.780 3.747 3.635 4.566 . 0 0 "[ . 1 . 2]" 1
210 1 74 SER H 1 74 SER HB3 . . 3.520 3.389 2.119 3.495 . 0 0 "[ . 1 . 2]" 1
211 1 73 ILE HG12 1 74 SER HB2 . . 4.880 4.091 3.971 4.988 0.108 13 0 "[ . 1 . 2]" 1
212 1 73 ILE HG12 1 74 SER HB3 . . 4.880 4.565 4.018 4.685 . 0 0 "[ . 1 . 2]" 1
213 1 76 ARG H 1 76 ARG HB3 . . 4.190 2.717 2.363 3.589 . 0 0 "[ . 1 . 2]" 1
214 1 76 ARG HB3 1 77 ALA H . . 4.610 3.441 2.655 3.983 . 0 0 "[ . 1 . 2]" 1
215 1 77 ALA H 1 77 ALA MB . . 2.930 2.438 2.409 2.458 . 0 0 "[ . 1 . 2]" 1
216 1 73 ILE HG12 1 77 ALA MB . . 3.110 2.638 2.344 2.794 . 0 0 "[ . 1 . 2]" 1
217 1 73 ILE MD 1 78 LEU HA . . 3.430 2.398 2.146 2.662 . 0 0 "[ . 1 . 2]" 1
218 1 79 LEU HB2 1 80 ARG H . . 4.780 4.539 4.528 4.553 . 0 0 "[ . 1 . 2]" 1
219 1 79 LEU HB2 1 86 TYR HE1 . . 4.420 3.413 3.309 3.484 . 0 0 "[ . 1 . 2]" 1
220 1 79 LEU HB3 1 86 TYR HA . . 4.920 4.762 4.719 4.821 . 0 0 "[ . 1 . 2]" 1
221 1 79 LEU HB2 1 86 TYR HA . . 5.500 5.563 5.542 5.580 0.080 5 0 "[ . 1 . 2]" 1
222 1 79 LEU HB3 1 86 TYR HD1 . . 4.830 3.354 3.162 3.441 . 0 0 "[ . 1 . 2]" 1
223 1 79 LEU HB3 1 80 ARG H . . 5.140 3.783 3.774 3.800 . 0 0 "[ . 1 . 2]" 1
224 1 79 LEU HG 1 86 TYR HD1 . . 4.020 2.192 2.113 2.299 . 0 0 "[ . 1 . 2]" 1
225 1 79 LEU HG 1 86 TYR HA . . 4.400 3.969 3.889 4.066 . 0 0 "[ . 1 . 2]" 1
226 1 81 ALA MB 1 82 LYS H . . 4.010 2.649 2.628 2.668 . 0 0 "[ . 1 . 2]" 1
227 1 81 ALA MB 1 86 TYR HD2 . . 4.950 5.279 5.264 5.301 0.351 15 0 "[ . 1 . 2]" 1
228 1 81 ALA MB 1 82 LYS HA . . 3.870 3.665 3.658 3.673 . 0 0 "[ . 1 . 2]" 1
229 1 80 ARG HA 1 81 ALA MB . . 4.180 4.093 4.049 4.122 . 0 0 "[ . 1 . 2]" 1
230 1 83 GLU HA 1 85 ARG H . . 4.250 3.387 3.371 3.411 . 0 0 "[ . 1 . 2]" 1
231 1 84 ALA MB 1 85 ARG H . . 3.510 2.632 2.546 2.723 . 0 0 "[ . 1 . 2]" 1
232 1 84 ALA MB 1 88 GLU HG2 . . 4.210 3.474 2.911 4.207 . 0 0 "[ . 1 . 2]" 1
233 1 84 ALA MB 1 88 GLU HG3 . . 4.210 3.328 2.742 3.822 . 0 0 "[ . 1 . 2]" 1
234 1 86 TYR HA 1 89 LEU HB2 . . 4.080 3.433 3.264 3.504 . 0 0 "[ . 1 . 2]" 1
235 1 86 TYR HA 1 104 ALA MB . . 5.050 4.801 4.616 4.981 . 0 0 "[ . 1 . 2]" 1
236 1 86 TYR HB3 1 87 ALA H . . 4.390 2.732 2.698 2.853 . 0 0 "[ . 1 . 2]" 1
237 1 86 TYR HD2 1 87 ALA HA . . 4.020 3.760 3.554 3.843 . 0 0 "[ . 1 . 2]" 1
238 1 87 ALA H 1 87 ALA MB . . 2.870 2.162 2.075 2.249 . 0 0 "[ . 1 . 2]" 1
239 1 86 TYR HD2 1 87 ALA MB . . 3.750 2.760 2.599 2.943 . 0 0 "[ . 1 . 2]" 1
240 1 88 GLU HA 1 88 GLU HG3 . . 3.770 3.525 2.925 3.686 . 0 0 "[ . 1 . 2]" 1
241 1 88 GLU HA 1 88 GLU HG2 . . 3.770 2.534 2.171 2.801 . 0 0 "[ . 1 . 2]" 1
242 1 88 GLU HB3 1 89 LEU H . . 4.170 3.406 3.280 3.483 . 0 0 "[ . 1 . 2]" 1
243 1 88 GLU H 1 88 GLU HB3 . . 3.770 3.534 3.487 3.559 . 0 0 "[ . 1 . 2]" 1
244 1 85 ARG HA 1 88 GLU HB3 . . 3.620 3.538 3.447 3.623 0.003 20 0 "[ . 1 . 2]" 1
245 1 85 ARG HA 1 88 GLU HB2 . . 3.620 2.049 1.992 2.096 . 0 0 "[ . 1 . 2]" 1
246 1 88 GLU H 1 88 GLU HG3 . . 3.880 3.484 2.633 3.863 . 0 0 "[ . 1 . 2]" 1
247 1 89 LEU HA 1 89 LEU MD2 . . 3.910 2.744 2.601 2.797 . 0 0 "[ . 1 . 2]" 1
248 1 89 LEU HB3 1 91 LEU MD2 . . 4.610 2.095 2.064 2.109 . 0 0 "[ . 1 . 2]" 1
249 1 89 LEU HB2 1 91 LEU MD2 . . 4.530 1.926 1.915 1.944 . 0 0 "[ . 1 . 2]" 1
250 1 89 LEU HA 1 89 LEU MD1 . . 3.910 3.757 3.723 3.816 . 0 0 "[ . 1 . 2]" 1
251 1 91 LEU HA 1 104 ALA MB . . 5.180 5.152 5.016 5.198 0.018 17 0 "[ . 1 . 2]" 1
252 1 91 LEU HB3 1 104 ALA MB . . 4.920 4.805 4.705 4.911 . 0 0 "[ . 1 . 2]" 1
253 1 91 LEU HB2 1 104 ALA MB . . 4.930 4.939 4.875 4.965 0.035 4 0 "[ . 1 . 2]" 1
254 1 91 LEU HB3 1 101 LEU MD1 . . 4.440 2.646 2.444 3.227 . 0 0 "[ . 1 . 2]" 1
255 1 91 LEU HB3 1 101 LEU MD2 . . 4.440 3.372 3.189 3.584 . 0 0 "[ . 1 . 2]" 1
256 1 91 LEU H 1 91 LEU MD2 . . 3.710 1.945 1.930 1.972 . 0 0 "[ . 1 . 2]" 1
257 1 91 LEU HA 1 91 LEU MD1 . . 3.340 2.321 2.156 2.417 . 0 0 "[ . 1 . 2]" 1
258 1 91 LEU HA 1 91 LEU MD2 . . 3.530 2.328 2.314 2.355 . 0 0 "[ . 1 . 2]" 1
259 1 91 LEU MD1 1 104 ALA MB . . 2.950 2.322 2.173 2.480 . 0 0 "[ . 1 . 2]" 1
260 1 91 LEU HB3 1 91 LEU MD1 . . 2.680 2.187 2.113 2.300 . 0 0 "[ . 1 . 2]" 1
261 1 91 LEU MD1 1 101 LEU MD1 . . 3.010 1.960 1.758 2.225 . 0 0 "[ . 1 . 2]" 1
262 1 91 LEU MD1 1 101 LEU MD2 . . 3.010 1.908 1.844 2.087 . 0 0 "[ . 1 . 2]" 1
263 1 86 TYR HE2 1 92 ASP HA . . 4.410 4.393 4.224 4.452 0.042 7 0 "[ . 1 . 2]" 1
264 1 92 ASP H 1 92 ASP HB3 . . 3.950 3.029 2.782 3.514 . 0 0 "[ . 1 . 2]" 1
265 1 93 ASP HB3 1 96 LEU HG . . 4.090 2.831 2.003 4.111 0.021 18 0 "[ . 1 . 2]" 1
266 1 93 ASP H 1 93 ASP HB3 . . 3.920 3.466 2.415 3.591 . 0 0 "[ . 1 . 2]" 1
267 1 93 ASP HB3 1 96 LEU H . . 4.530 3.351 2.806 4.301 . 0 0 "[ . 1 . 2]" 1
268 1 93 ASP H 1 93 ASP HB2 . . 3.920 2.361 2.089 2.664 . 0 0 "[ . 1 . 2]" 1
269 1 94 PRO HG3 1 95 ALA H . . 4.440 4.284 3.863 4.394 . 0 0 "[ . 1 . 2]" 1
270 1 93 ASP HA 1 94 PRO HG3 . . 4.460 4.319 4.314 4.324 . 0 0 "[ . 1 . 2]" 1
271 1 95 ALA MB 1 96 LEU H . . 3.690 3.172 2.816 3.603 . 0 0 "[ . 1 . 2]" 1
272 1 97 SER HB2 1 98 ASP H . . 3.980 3.832 3.791 4.023 0.043 18 0 "[ . 1 . 2]" 1
273 1 97 SER HB3 1 99 GLU H . . 3.720 2.398 2.322 2.571 . 0 0 "[ . 1 . 2]" 1
274 1 98 ASP HA 1 102 ILE H . . 4.950 3.595 3.469 3.939 . 0 0 "[ . 1 . 2]" 1
275 1 98 ASP HA 1 101 LEU HB2 . . 3.420 2.124 2.030 2.303 . 0 0 "[ . 1 . 2]" 1
276 1 98 ASP HA 1 101 LEU HG . . 3.860 3.545 3.440 3.616 . 0 0 "[ . 1 . 2]" 1
277 1 99 GLU HA 1 102 ILE MD . . 3.600 2.861 2.654 3.353 . 0 0 "[ . 1 . 2]" 1
278 1 99 GLU HB2 1 100 VAL H . . 4.520 3.156 2.087 3.695 . 0 0 "[ . 1 . 2]" 1
279 1 99 GLU HB3 1 100 VAL H . . 4.520 2.429 2.064 3.856 . 0 0 "[ . 1 . 2]" 1
280 1 100 VAL HA 1 104 ALA H . . 4.460 3.932 3.784 4.028 . 0 0 "[ . 1 . 2]" 1
281 1 100 VAL HA 1 103 ASP HB3 . . 4.110 2.861 2.530 4.091 . 0 0 "[ . 1 . 2]" 1
282 1 100 VAL H 1 100 VAL MG1 . . 3.060 2.360 2.256 2.477 . 0 0 "[ . 1 . 2]" 1
283 1 100 VAL MG1 1 101 LEU H . . 4.130 3.983 3.966 4.018 . 0 0 "[ . 1 . 2]" 1
284 1 97 SER H 1 100 VAL MG1 . . 3.760 3.622 3.524 3.842 0.082 20 0 "[ . 1 . 2]" 1
285 1 100 VAL HA 1 100 VAL MG1 . . 2.890 2.256 2.171 2.356 . 0 0 "[ . 1 . 2]" 1
286 1 100 VAL HA 1 100 VAL MG2 . . 3.350 3.200 3.197 3.202 . 0 0 "[ . 1 . 2]" 1
287 1 100 VAL MG2 1 101 LEU H . . 4.000 2.071 2.035 2.118 . 0 0 "[ . 1 . 2]" 1
288 1 99 GLU H 1 100 VAL MG2 . . 4.190 3.867 3.761 3.931 . 0 0 "[ . 1 . 2]" 1
289 1 97 SER H 1 100 VAL MG2 . . 4.690 1.876 1.851 1.986 . 0 0 "[ . 1 . 2]" 1
290 1 101 LEU HB3 1 102 ILE MD . . 4.680 4.544 4.389 4.649 . 0 0 "[ . 1 . 2]" 1
291 1 102 ILE HA 1 105 MET HB2 . . 3.670 3.155 2.964 3.482 . 0 0 "[ . 1 . 2]" 1
292 1 102 ILE HA 1 102 ILE HG13 . . 4.170 2.700 2.637 2.893 . 0 0 "[ . 1 . 2]" 1
293 1 99 GLU HA 1 102 ILE HB . . 4.260 3.541 3.465 3.684 . 0 0 "[ . 1 . 2]" 1
294 1 102 ILE H 1 102 ILE HB . . 3.830 2.544 2.522 2.575 . 0 0 "[ . 1 . 2]" 1
295 1 102 ILE H 1 102 ILE HG12 . . 4.190 3.629 3.453 3.719 . 0 0 "[ . 1 . 2]" 1
296 1 101 LEU HB2 1 102 ILE HG13 . . 4.100 3.725 3.663 3.787 . 0 0 "[ . 1 . 2]" 1
297 1 102 ILE HG12 1 102 ILE MG . . 3.750 2.180 2.067 2.317 . 0 0 "[ . 1 . 2]" 1
298 1 65 VAL H 1 102 ILE MG . . 4.140 4.002 3.580 4.198 0.058 14 0 "[ . 1 . 2]" 1
299 1 102 ILE H 1 102 ILE MG . . 4.450 3.764 3.761 3.767 . 0 0 "[ . 1 . 2]" 1
300 1 64 LEU H 1 102 ILE MG . . 5.480 5.425 5.118 5.552 0.072 16 0 "[ . 1 . 2]" 1
301 1 102 ILE HA 1 102 ILE MG . . 3.410 2.363 2.293 2.408 . 0 0 "[ . 1 . 2]" 1
302 1 102 ILE MG 1 106 ILE HG13 . . 3.960 2.694 2.566 3.009 . 0 0 "[ . 1 . 2]" 1
303 1 61 ARG HD3 1 102 ILE MG . . 5.010 4.234 2.996 5.015 0.005 6 0 "[ . 1 . 2]" 1
304 1 102 ILE MG 1 106 ILE HA . . 5.430 4.842 4.673 5.151 . 0 0 "[ . 1 . 2]" 1
305 1 102 ILE H 1 102 ILE MD . . 3.400 3.109 2.975 3.352 . 0 0 "[ . 1 . 2]" 1
306 1 102 ILE MD 1 103 ASP H . . 4.320 4.032 3.911 4.194 . 0 0 "[ . 1 . 2]" 1
307 1 101 LEU H 1 102 ILE MD . . 5.130 4.848 4.697 5.142 0.012 16 0 "[ . 1 . 2]" 1
308 1 102 ILE HA 1 102 ILE MD . . 3.930 3.881 3.870 3.892 . 0 0 "[ . 1 . 2]" 1
309 1 103 ASP HA 1 106 ILE H . . 4.430 3.819 3.740 3.884 . 0 0 "[ . 1 . 2]" 1
310 1 103 ASP HA 1 106 ILE HG12 . . 4.140 3.679 3.567 3.758 . 0 0 "[ . 1 . 2]" 1
311 1 102 ILE MG 1 103 ASP HA . . 3.890 3.374 3.283 3.502 . 0 0 "[ . 1 . 2]" 1
312 1 100 VAL HA 1 103 ASP HB2 . . 4.110 3.358 2.489 3.897 . 0 0 "[ . 1 . 2]" 1
313 1 103 ASP H 1 103 ASP HB3 . . 3.960 2.827 2.400 3.585 . 0 0 "[ . 1 . 2]" 1
314 1 103 ASP H 1 103 ASP HB2 . . 3.960 2.358 2.186 2.674 . 0 0 "[ . 1 . 2]" 1
315 1 103 ASP HB2 1 104 ALA H . . 4.250 3.719 2.762 4.061 . 0 0 "[ . 1 . 2]" 1
316 1 103 ASP HB3 1 104 ALA H . . 4.250 2.806 2.665 3.605 . 0 0 "[ . 1 . 2]" 1
317 1 104 ALA HA 1 106 ILE H . . 4.760 4.693 4.593 4.789 0.029 9 0 "[ . 1 . 2]" 1
318 1 104 ALA MB 1 106 ILE H . . 4.640 4.643 4.573 4.670 0.030 3 0 "[ . 1 . 2]" 1
319 1 104 ALA H 1 105 MET HB3 . . 5.280 5.094 4.879 5.188 . 0 0 "[ . 1 . 2]" 1
320 1 102 ILE MG 1 105 MET HB2 . . 4.940 4.565 4.370 4.824 . 0 0 "[ . 1 . 2]" 1
321 1 105 MET HB2 1 106 ILE MD . . 5.260 4.867 4.599 5.074 . 0 0 "[ . 1 . 2]" 1
322 1 102 ILE MG 1 105 MET HB3 . . 3.680 3.678 3.545 3.739 0.059 20 0 "[ . 1 . 2]" 1
323 1 105 MET H 1 105 MET HG2 . . 4.470 4.415 4.223 4.601 0.131 4 0 "[ . 1 . 2]" 1
324 1 106 ILE HA 1 111 LEU HB3 . . 4.810 2.790 2.712 2.860 . 0 0 "[ . 1 . 2]" 1
325 1 106 ILE H 1 106 ILE HB . . 3.740 2.561 2.540 2.597 . 0 0 "[ . 1 . 2]" 1
326 1 106 ILE HB 1 107 SER H . . 4.090 2.973 2.619 3.142 . 0 0 "[ . 1 . 2]" 1
327 1 103 ASP HA 1 106 ILE HB . . 4.010 3.026 2.857 3.231 . 0 0 "[ . 1 . 2]" 1
328 1 106 ILE H 1 106 ILE HG12 . . 3.960 2.088 2.050 2.124 . 0 0 "[ . 1 . 2]" 1
329 1 102 ILE MG 1 106 ILE HG12 . . 3.720 2.228 2.005 2.550 . 0 0 "[ . 1 . 2]" 1
330 1 106 ILE HG12 1 106 ILE MG . . 3.720 3.189 3.179 3.198 . 0 0 "[ . 1 . 2]" 1
331 1 106 ILE MG 1 107 SER H . . 3.900 3.715 3.469 3.878 . 0 0 "[ . 1 . 2]" 1
332 1 61 ARG H 1 106 ILE MG . . 4.720 4.293 4.027 4.689 . 0 0 "[ . 1 . 2]" 1
333 1 106 ILE MG 1 107 SER HA . . 3.920 3.653 3.486 3.800 . 0 0 "[ . 1 . 2]" 1
334 1 106 ILE HA 1 106 ILE MG . . 3.200 2.328 2.280 2.383 . 0 0 "[ . 1 . 2]" 1
335 1 61 ARG HA 1 106 ILE MG . . 4.030 3.806 3.539 4.013 . 0 0 "[ . 1 . 2]" 1
336 1 106 ILE HG13 1 106 ILE MG . . 3.140 2.247 2.193 2.304 . 0 0 "[ . 1 . 2]" 1
337 1 106 ILE MG 1 111 LEU HB2 . . 4.710 3.991 3.826 4.166 . 0 0 "[ . 1 . 2]" 1
338 1 106 ILE H 1 106 ILE MD . . 3.880 3.051 2.904 3.172 . 0 0 "[ . 1 . 2]" 1
339 1 64 LEU H 1 106 ILE MD . . 4.640 4.415 4.112 4.665 0.025 18 0 "[ . 1 . 2]" 1
340 1 106 ILE MD 1 107 SER H . . 4.730 4.605 4.524 4.667 . 0 0 "[ . 1 . 2]" 1
341 1 61 ARG H 1 106 ILE MD . . 4.530 4.039 3.681 4.289 . 0 0 "[ . 1 . 2]" 1
342 1 103 ASP HA 1 106 ILE MD . . 4.940 4.995 4.969 5.017 0.077 9 0 "[ . 1 . 2]" 1
343 1 106 ILE HA 1 106 ILE MD . . 3.090 1.961 1.947 2.019 . 0 0 "[ . 1 . 2]" 1
344 1 61 ARG HA 1 106 ILE MD . . 3.150 2.105 1.882 2.327 . 0 0 "[ . 1 . 2]" 1
345 1 106 ILE HB 1 106 ILE MD . . 3.470 3.228 3.215 3.231 . 0 0 "[ . 1 . 2]" 1
346 1 61 ARG HB2 1 106 ILE MD . . 3.750 2.792 2.360 3.079 . 0 0 "[ . 1 . 2]" 1
347 1 106 ILE MD 1 111 LEU HB2 . . 3.980 2.861 2.599 3.098 . 0 0 "[ . 1 . 2]" 1
348 1 61 ARG HB3 1 106 ILE MD . . 3.750 2.726 2.242 3.176 . 0 0 "[ . 1 . 2]" 1
349 1 106 ILE MD 1 111 LEU HB3 . . 3.750 3.757 3.726 3.768 0.018 7 0 "[ . 1 . 2]" 1
350 1 106 ILE HB 1 107 SER HA . . 4.380 4.414 4.333 4.459 0.079 8 0 "[ . 1 . 2]" 1
351 1 107 SER H 1 107 SER HB2 . . 4.040 2.668 2.212 3.651 . 0 0 "[ . 1 . 2]" 1
352 1 107 SER H 1 107 SER HB3 . . 4.040 2.889 2.283 3.670 . 0 0 "[ . 1 . 2]" 1
353 1 105 MET ME 1 110 VAL HA . . 4.400 4.338 4.187 4.434 0.034 8 0 "[ . 1 . 2]" 1
354 1 110 VAL H 1 110 VAL MG1 . . 3.810 2.191 1.968 2.372 . 0 0 "[ . 1 . 2]" 1
355 1 110 VAL MG1 1 111 LEU H . . 4.380 3.273 2.294 4.167 . 0 0 "[ . 1 . 2]" 1
356 1 110 VAL HA 1 110 VAL MG1 . . 3.480 2.743 2.272 3.201 . 0 0 "[ . 1 . 2]" 1
357 1 110 VAL H 1 110 VAL MG2 . . 3.810 2.938 2.062 3.764 . 0 0 "[ . 1 . 2]" 1
358 1 110 VAL HA 1 110 VAL MG2 . . 3.480 2.768 2.189 3.202 . 0 0 "[ . 1 . 2]" 1
359 1 105 MET HA 1 111 LEU HB3 . . 4.770 4.523 4.380 4.722 . 0 0 "[ . 1 . 2]" 1
360 1 105 MET HB3 1 111 LEU HB2 . . 5.000 4.865 4.514 5.036 0.036 4 0 "[ . 1 . 2]" 1
361 1 105 MET HB3 1 111 LEU HB3 . . 4.930 4.789 4.625 4.951 0.021 10 0 "[ . 1 . 2]" 1
362 1 111 LEU H 1 111 LEU HG . . 4.140 3.562 2.752 3.949 . 0 0 "[ . 1 . 2]" 1
363 1 113 ASN HB2 1 125 LEU HG . . 5.500 4.811 3.946 5.513 0.013 5 0 "[ . 1 . 2]" 1
364 1 113 ASN HB3 1 125 LEU HG . . 5.500 4.988 4.081 5.602 0.102 10 0 "[ . 1 . 2]" 1
365 1 117 VAL H 1 117 VAL HB . . 3.900 2.891 2.370 3.230 . 0 0 "[ . 1 . 2]" 1
366 1 117 VAL HB 1 118 VAL H . . 4.950 4.204 4.092 4.472 . 0 0 "[ . 1 . 2]" 1
367 1 117 VAL HB 1 126 CYS H . . 4.670 4.008 3.731 4.366 . 0 0 "[ . 1 . 2]" 1
368 1 116 VAL HA 1 117 VAL HB . . 4.930 4.542 4.168 4.682 . 0 0 "[ . 1 . 2]" 1
369 1 24 VAL HB 1 25 THR H . . 4.960 3.782 2.889 4.262 . 0 0 "[ . 1 . 2]" 1
370 1 24 VAL HB 1 50 HIS H . . 5.500 4.525 3.913 5.546 0.046 6 0 "[ . 1 . 2]" 1
371 1 24 VAL HB 1 49 PRO HA . . 4.320 3.213 2.241 4.466 0.146 6 0 "[ . 1 . 2]" 1
372 1 24 VAL HB 1 26 ILE MD . . 3.910 3.457 2.750 4.031 0.121 6 0 "[ . 1 . 2]" 1
373 1 24 VAL HB 1 47 ILE MG . . 4.060 3.241 2.356 4.091 0.031 5 0 "[ . 1 . 2]" 1
374 1 118 VAL H 1 118 VAL QG . . 3.540 2.573 2.431 2.672 . 0 0 "[ . 1 . 2]" 1
375 1 118 VAL QG 1 119 THR H . . 3.420 2.790 2.513 2.967 . 0 0 "[ . 1 . 2]" 1
376 1 27 TYR QD 1 118 VAL QG . . 4.150 2.768 2.435 3.028 . 0 0 "[ . 1 . 2]" 1
377 1 118 VAL QG 1 123 VAL HA . . 4.270 3.475 3.253 3.845 . 0 0 "[ . 1 . 2]" 1
378 1 117 VAL HA 1 118 VAL QG . . 3.730 3.569 3.483 3.677 . 0 0 "[ . 1 . 2]" 1
379 1 27 TYR QE 1 118 VAL QG . . 3.370 1.961 1.873 2.128 . 0 0 "[ . 1 . 2]" 1
380 1 118 VAL QG 1 119 THR HA . . 4.230 3.781 3.581 3.920 . 0 0 "[ . 1 . 2]" 1
381 1 24 VAL HA 1 118 VAL QG . . 4.710 4.350 3.913 4.557 . 0 0 "[ . 1 . 2]" 1
382 1 119 THR HA 1 120 PRO HD3 . . 3.630 2.337 2.314 2.352 . 0 0 "[ . 1 . 2]" 1
383 1 118 VAL HB 1 119 THR HA . . 5.170 4.772 4.588 4.906 . 0 0 "[ . 1 . 2]" 1
384 1 120 PRO HA 1 122 GLY H . . 5.100 3.876 3.846 3.899 . 0 0 "[ . 1 . 2]" 1
385 1 22 MET H 1 22 MET HG2 . . 5.500 2.679 1.944 4.104 . 0 0 "[ . 1 . 2]" 1
386 1 22 MET H 1 22 MET HG3 . . 5.500 3.382 2.185 4.299 . 0 0 "[ . 1 . 2]" 1
387 1 119 THR HA 1 120 PRO HG2 . . 4.930 4.583 4.541 4.610 . 0 0 "[ . 1 . 2]" 1
388 1 119 THR HA 1 120 PRO HG3 . . 4.930 4.526 4.494 4.548 . 0 0 "[ . 1 . 2]" 1
389 1 120 PRO HD2 1 121 LYS H . . 4.840 2.878 2.856 2.893 . 0 0 "[ . 1 . 2]" 1
390 1 119 THR HB 1 120 PRO HD2 . . 3.810 1.918 1.883 1.932 . 0 0 "[ . 1 . 2]" 1
391 1 119 THR HB 1 120 PRO HD3 . . 3.830 3.251 3.213 3.370 . 0 0 "[ . 1 . 2]" 1
392 1 118 VAL QG 1 120 PRO HD3 . . 5.340 4.943 4.666 5.089 . 0 0 "[ . 1 . 2]" 1
393 1 121 LYS HA 1 121 LYS HG3 . . 4.020 3.031 2.311 3.816 . 0 0 "[ . 1 . 2]" 1
394 1 121 LYS H 1 121 LYS HG2 . . 5.040 4.009 1.988 4.841 . 0 0 "[ . 1 . 2]" 1
395 1 121 LYS HA 1 121 LYS HG2 . . 4.020 3.052 2.337 3.684 . 0 0 "[ . 1 . 2]" 1
396 1 122 GLY HA2 1 135 LEU MD1 . . 4.580 4.303 3.754 4.595 0.015 15 0 "[ . 1 . 2]" 1
397 1 122 GLY HA3 1 135 LEU MD1 . . 4.580 2.981 2.386 3.375 . 0 0 "[ . 1 . 2]" 1
398 1 119 THR H 1 123 VAL HA . . 4.250 2.737 2.659 2.904 . 0 0 "[ . 1 . 2]" 1
399 1 123 VAL HA 1 123 VAL MG2 . . 3.480 2.437 2.200 3.202 . 0 0 "[ . 1 . 2]" 1
400 1 123 VAL H 1 123 VAL MG2 . . 4.120 3.203 1.970 3.971 . 0 0 "[ . 1 . 2]" 1
401 1 123 VAL HA 1 123 VAL MG1 . . 3.480 2.701 2.258 3.203 . 0 0 "[ . 1 . 2]" 1
402 1 123 VAL H 1 123 VAL MG1 . . 4.120 2.985 2.037 3.933 . 0 0 "[ . 1 . 2]" 1
403 1 123 VAL MG1 1 124 ARG H . . 4.140 3.040 1.951 3.855 . 0 0 "[ . 1 . 2]" 1
404 1 124 ARG HB2 1 125 LEU H . . 5.070 3.923 3.875 4.118 . 0 0 "[ . 1 . 2]" 1
405 1 124 ARG HB3 1 125 LEU H . . 5.070 2.926 2.635 3.409 . 0 0 "[ . 1 . 2]" 1
406 1 124 ARG HG3 1 125 LEU H . . 4.980 3.710 1.933 4.149 . 0 0 "[ . 1 . 2]" 1
407 1 124 ARG HG2 1 125 LEU H . . 4.980 2.366 1.946 3.512 . 0 0 "[ . 1 . 2]" 1
408 1 124 ARG H 1 124 ARG HG2 . . 5.230 4.638 4.432 5.190 . 0 0 "[ . 1 . 2]" 1
409 1 124 ARG H 1 124 ARG HG3 . . 5.230 4.904 4.702 5.074 . 0 0 "[ . 1 . 2]" 1
410 1 124 ARG HG3 1 135 LEU MD2 . . 4.330 3.723 3.537 3.897 . 0 0 "[ . 1 . 2]" 1
411 1 124 ARG HG2 1 135 LEU MD2 . . 4.330 4.143 3.308 4.241 . 0 0 "[ . 1 . 2]" 1
412 1 113 ASN HA 1 125 LEU HB3 . . 5.500 4.912 4.376 5.504 0.004 12 0 "[ . 1 . 2]" 1
413 1 113 ASN HA 1 125 LEU HB2 . . 5.500 5.497 5.237 5.620 0.120 17 0 "[ . 1 . 2]" 1
414 1 113 ASN HA 1 125 LEU HG . . 4.110 3.430 2.970 4.199 0.089 19 0 "[ . 1 . 2]" 1
415 1 125 LEU H 1 125 LEU HG . . 4.860 3.639 2.548 4.500 . 0 0 "[ . 1 . 2]" 1
416 1 113 ASN HB2 1 125 LEU MD1 . . 5.170 3.575 2.415 4.784 . 0 0 "[ . 1 . 2]" 1
417 1 113 ASN HB2 1 125 LEU MD2 . . 5.170 3.768 2.283 4.891 . 0 0 "[ . 1 . 2]" 1
418 1 113 ASN HB3 1 125 LEU MD1 . . 5.170 3.849 2.557 5.176 0.006 11 0 "[ . 1 . 2]" 1
419 1 113 ASN HB3 1 125 LEU MD2 . . 5.170 4.060 3.085 5.171 0.001 10 0 "[ . 1 . 2]" 1
420 1 26 ILE MG 1 126 CYS HB3 . . 4.440 3.236 3.046 3.422 . 0 0 "[ . 1 . 2]" 1
421 1 26 ILE HB 1 126 CYS HB2 . . 5.070 5.100 4.887 5.189 0.119 11 0 "[ . 1 . 2]" 1
422 1 116 VAL HB 1 126 CYS HB3 . . 5.500 5.526 5.316 5.590 0.090 17 0 "[ . 1 . 2]" 1
423 1 126 CYS HB3 1 132 VAL HB . . 5.260 5.194 5.061 5.293 0.033 19 0 "[ . 1 . 2]" 1
424 1 116 VAL HB 1 126 CYS HB2 . . 5.500 5.191 4.914 5.489 . 0 0 "[ . 1 . 2]" 1
425 1 38 VAL H 1 129 ALA MB . . 4.480 4.142 3.568 4.519 0.039 17 0 "[ . 1 . 2]" 1
426 1 38 VAL HA 1 129 ALA MB . . 4.090 3.592 3.030 4.111 0.021 13 0 "[ . 1 . 2]" 1
427 1 37 LYS HE2 1 129 ALA MB . . 5.500 3.956 1.954 5.078 . 0 0 "[ . 1 . 2]" 1
428 1 37 LYS HE3 1 129 ALA MB . . 5.500 3.755 2.025 4.880 . 0 0 "[ . 1 . 2]" 1
429 1 130 GLU HA 1 132 VAL H . . 4.790 4.740 4.635 4.793 0.003 10 0 "[ . 1 . 2]" 1
430 1 130 GLU HA 1 133 GLN H . . 4.400 3.669 3.517 3.792 . 0 0 "[ . 1 . 2]" 1
431 1 130 GLU HA 1 130 GLU HG2 . . 3.790 2.550 2.070 3.555 . 0 0 "[ . 1 . 2]" 1
432 1 130 GLU HA 1 130 GLU HG3 . . 3.790 3.199 2.359 3.798 0.008 14 0 "[ . 1 . 2]" 1
433 1 131 THR HA 1 134 GLU H . . 4.100 3.514 3.451 3.603 . 0 0 "[ . 1 . 2]" 1
434 1 131 THR H 1 131 THR HB . . 3.950 3.592 3.448 3.624 . 0 0 "[ . 1 . 2]" 1
435 1 131 THR HB 1 132 VAL H . . 4.410 3.380 2.909 3.518 . 0 0 "[ . 1 . 2]" 1
436 1 127 ARG H 1 131 THR HB . . 5.250 5.139 4.619 5.299 0.049 5 0 "[ . 1 . 2]" 1
437 1 124 ARG HD2 1 131 THR HB . . 5.020 2.905 2.308 3.903 . 0 0 "[ . 1 . 2]" 1
438 1 124 ARG HD3 1 131 THR HB . . 5.020 2.861 2.313 4.018 . 0 0 "[ . 1 . 2]" 1
439 1 131 THR H 1 131 THR MG . . 3.380 2.423 2.239 3.067 . 0 0 "[ . 1 . 2]" 1
440 1 131 THR MG 1 132 VAL H . . 4.270 3.919 3.842 4.128 . 0 0 "[ . 1 . 2]" 1
441 1 127 ARG H 1 131 THR MG . . 4.890 4.926 4.736 5.037 0.147 1 0 "[ . 1 . 2]" 1
442 1 131 THR HA 1 131 THR MG . . 2.790 2.325 2.151 2.393 . 0 0 "[ . 1 . 2]" 1
443 1 128 PRO HD2 1 131 THR MG . . 4.110 2.002 1.878 2.663 . 0 0 "[ . 1 . 2]" 1
444 1 124 ARG HD2 1 131 THR MG . . 3.990 3.883 3.366 4.002 0.012 19 0 "[ . 1 . 2]" 1
445 1 124 ARG HD3 1 131 THR MG . . 3.990 3.477 2.249 4.032 0.042 13 0 "[ . 1 . 2]" 1
446 1 132 VAL H 1 132 VAL MG1 . . 3.200 2.059 1.969 2.136 . 0 0 "[ . 1 . 2]" 1
447 1 132 VAL HA 1 132 VAL MG1 . . 3.350 3.202 3.199 3.204 . 0 0 "[ . 1 . 2]" 1
448 1 38 VAL HA 1 132 VAL MG1 . . 3.800 3.107 2.937 3.233 . 0 0 "[ . 1 . 2]" 1
449 1 132 VAL H 1 132 VAL MG2 . . 3.870 3.763 3.758 3.767 . 0 0 "[ . 1 . 2]" 1
450 1 132 VAL HB 1 133 GLN H . . 5.060 3.918 3.865 3.961 . 0 0 "[ . 1 . 2]" 1
451 1 133 GLN HA 1 136 LEU H . . 4.550 3.641 3.535 3.773 . 0 0 "[ . 1 . 2]" 1
452 1 133 GLN HA 1 133 GLN HG3 . . 3.990 3.476 3.063 3.663 . 0 0 "[ . 1 . 2]" 1
453 1 132 VAL MG2 1 133 GLN HA . . 3.730 3.671 3.556 3.753 0.023 10 0 "[ . 1 . 2]" 1
454 1 133 GLN H 1 133 GLN HG2 . . 3.760 2.944 2.373 3.763 0.003 20 0 "[ . 1 . 2]" 1
455 1 133 GLN HA 1 133 GLN HG2 . . 3.990 2.960 2.110 3.811 . 0 0 "[ . 1 . 2]" 1
456 1 134 GLU H 1 134 GLU HB2 . . 3.760 2.215 2.145 2.317 . 0 0 "[ . 1 . 2]" 1
457 1 134 GLU HB3 1 135 LEU H . . 4.460 3.352 3.134 3.539 . 0 0 "[ . 1 . 2]" 1
458 1 134 GLU HB2 1 135 LEU H . . 4.460 2.798 2.692 2.887 . 0 0 "[ . 1 . 2]" 1
459 1 132 VAL HA 1 136 LEU HB3 . . 5.020 4.724 4.423 5.011 . 0 0 "[ . 1 . 2]" 1
460 1 133 GLN HA 1 136 LEU HB3 . . 5.290 3.435 2.892 3.733 . 0 0 "[ . 1 . 2]" 1
461 1 132 VAL HA 1 136 LEU HB2 . . 5.500 5.106 4.740 5.516 0.016 13 0 "[ . 1 . 2]" 1
462 1 133 GLN HA 1 136 LEU HB2 . . 5.500 5.104 4.529 5.426 . 0 0 "[ . 1 . 2]" 1
463 1 135 LEU HG 1 136 LEU HB2 . . 3.540 3.344 3.202 3.554 0.014 18 0 "[ . 1 . 2]" 1
464 1 135 LEU HG 1 136 LEU HB3 . . 4.400 4.392 4.279 4.426 0.026 1 0 "[ . 1 . 2]" 1
465 1 136 LEU HA 1 136 LEU MD2 . . 4.230 3.086 1.938 3.976 . 0 0 "[ . 1 . 2]" 1
466 1 135 LEU HA 1 135 LEU HG . . 3.870 3.403 3.152 3.522 . 0 0 "[ . 1 . 2]" 1
467 1 135 LEU HB3 1 135 LEU HG . . 2.920 2.480 2.440 2.573 . 0 0 "[ . 1 . 2]" 1
468 1 81 ALA HA 1 86 TYR HD2 . . 3.950 3.952 3.930 3.993 0.043 18 0 "[ . 1 . 2]" 1
469 1 75 PRO HD3 1 76 ARG H . . 4.840 3.943 3.902 3.949 . 0 0 "[ . 1 . 2]" 1
470 1 74 SER HA 1 75 PRO HD2 . . 3.580 2.560 2.534 2.602 . 0 0 "[ . 1 . 2]" 1
471 1 74 SER HA 1 75 PRO HD3 . . 3.640 2.374 2.360 2.398 . 0 0 "[ . 1 . 2]" 1
472 1 68 LEU HG 1 75 PRO HD2 . . 5.500 5.383 5.025 5.530 0.030 6 0 "[ . 1 . 2]" 1
473 1 68 LEU HG 1 75 PRO HD3 . . 4.970 3.644 3.313 3.786 . 0 0 "[ . 1 . 2]" 1
474 1 108 ASN H 1 109 PRO HD3 . . 5.330 5.096 5.091 5.101 . 0 0 "[ . 1 . 2]" 1
475 1 108 ASN H 1 109 PRO HD2 . . 5.330 4.734 4.720 4.744 . 0 0 "[ . 1 . 2]" 1
476 1 108 ASN HA 1 109 PRO HD3 . . 3.340 2.352 2.345 2.362 . 0 0 "[ . 1 . 2]" 1
477 1 108 ASN HA 1 109 PRO HD2 . . 3.340 2.517 2.502 2.537 . 0 0 "[ . 1 . 2]" 1
478 1 94 PRO HD2 1 95 ALA H . . 4.360 2.794 2.647 2.846 . 0 0 "[ . 1 . 2]" 1
479 1 94 PRO HD3 1 95 ALA H . . 4.620 3.919 3.836 3.948 . 0 0 "[ . 1 . 2]" 1
480 1 93 ASP H 1 94 PRO HD2 . . 5.130 4.691 4.666 4.724 . 0 0 "[ . 1 . 2]" 1
481 1 94 PRO HD2 1 96 LEU H . . 5.500 4.919 4.565 5.361 . 0 0 "[ . 1 . 2]" 1
482 1 93 ASP H 1 94 PRO HD3 . . 4.680 4.576 4.512 4.650 . 0 0 "[ . 1 . 2]" 1
483 1 93 ASP HA 1 94 PRO HD2 . . 3.230 1.978 1.949 2.032 . 0 0 "[ . 1 . 2]" 1
484 1 93 ASP HA 1 94 PRO HD3 . . 3.250 2.328 2.284 2.359 . 0 0 "[ . 1 . 2]" 1
485 1 108 ASN HA 1 109 PRO HG2 . . 4.670 4.609 4.596 4.625 . 0 0 "[ . 1 . 2]" 1
486 1 108 ASN HA 1 109 PRO HG3 . . 4.670 4.547 4.536 4.560 . 0 0 "[ . 1 . 2]" 1
487 1 128 PRO HD3 1 131 THR MG . . 4.110 3.447 3.319 4.086 . 0 0 "[ . 1 . 2]" 1
488 1 119 THR H 1 119 THR MG . . 3.930 2.264 1.960 3.228 . 0 0 "[ . 1 . 2]" 1
489 1 119 THR MG 1 121 LYS H . . 4.490 3.951 3.874 4.080 . 0 0 "[ . 1 . 2]" 1
490 1 119 THR HA 1 119 THR MG . . 3.490 2.658 2.284 2.756 . 0 0 "[ . 1 . 2]" 1
491 1 119 THR MG 1 136 LEU HA . . 4.320 4.221 3.916 4.344 0.024 11 0 "[ . 1 . 2]" 1
492 1 119 THR MG 1 120 PRO HD2 . . 3.910 3.544 2.666 3.658 . 0 0 "[ . 1 . 2]" 1
493 1 24 VAL MG1 1 119 THR MG . . 4.360 2.485 1.850 4.137 . 0 0 "[ . 1 . 2]" 1
494 1 24 VAL MG2 1 119 THR MG . . 4.360 3.244 1.894 4.362 0.002 18 0 "[ . 1 . 2]" 1
495 1 117 VAL HA 1 119 THR MG . . 4.810 4.667 4.360 4.928 0.118 10 0 "[ . 1 . 2]" 1
496 1 26 ILE MG 1 126 CYS HB2 . . 4.080 2.335 2.232 2.605 . 0 0 "[ . 1 . 2]" 1
497 1 26 ILE HB 1 27 TYR H . . 4.710 3.700 3.465 4.183 . 0 0 "[ . 1 . 2]" 1
498 1 59 LEU HB3 1 60 PRO HD2 . . 4.790 2.316 1.965 4.087 . 0 0 "[ . 1 . 2]" 1
499 1 59 LEU HB3 1 60 PRO HD3 . . 4.830 3.617 3.251 4.867 0.037 8 0 "[ . 1 . 2]" 1
500 1 59 LEU HB2 1 60 PRO HD3 . . 4.830 4.363 3.411 4.852 0.022 8 0 "[ . 1 . 2]" 1
501 1 67 LEU HA 1 67 LEU MD2 . . 3.880 3.082 2.073 3.879 . 0 0 "[ . 1 . 2]" 1
502 1 63 MET ME 1 67 LEU MD2 . . 4.160 3.351 1.937 4.181 0.021 8 0 "[ . 1 . 2]" 1
503 1 136 LEU H 1 136 LEU MD1 . . 4.900 4.210 3.776 4.588 . 0 0 "[ . 1 . 2]" 1
504 1 136 LEU H 1 136 LEU MD2 . . 4.900 3.999 3.672 4.177 . 0 0 "[ . 1 . 2]" 1
505 1 136 LEU HA 1 136 LEU MD1 . . 4.230 3.179 2.159 3.567 . 0 0 "[ . 1 . 2]" 1
506 1 101 LEU MD1 1 102 ILE H . . 5.160 4.349 4.205 4.425 . 0 0 "[ . 1 . 2]" 1
507 1 101 LEU MD2 1 102 ILE H . . 5.160 4.377 4.317 4.462 . 0 0 "[ . 1 . 2]" 1
508 1 101 LEU HA 1 101 LEU MD1 . . 3.560 2.076 1.971 2.272 . 0 0 "[ . 1 . 2]" 1
509 1 101 LEU HA 1 101 LEU MD2 . . 3.560 2.188 2.096 2.302 . 0 0 "[ . 1 . 2]" 1
510 1 68 LEU H 1 68 LEU MD1 . . 4.330 4.063 3.981 4.166 . 0 0 "[ . 1 . 2]" 1
511 1 68 LEU MD1 1 78 LEU H . . 4.740 4.531 4.251 4.747 0.007 18 0 "[ . 1 . 2]" 1
512 1 68 LEU MD1 1 73 ILE H . . 4.770 4.073 3.606 4.333 . 0 0 "[ . 1 . 2]" 1
513 1 68 LEU MD1 1 69 ARG HA . . 3.400 2.614 2.547 2.680 . 0 0 "[ . 1 . 2]" 1
514 1 68 LEU HA 1 68 LEU MD1 . . 3.440 3.236 3.090 3.342 . 0 0 "[ . 1 . 2]" 1
515 1 68 LEU HB2 1 68 LEU MD1 . . 3.250 2.152 2.093 2.196 . 0 0 "[ . 1 . 2]" 1
516 1 68 LEU HA 1 71 MET ME . . 4.190 2.947 1.926 3.667 . 0 0 "[ . 1 . 2]" 1
517 1 68 LEU H 1 68 LEU HG . . 3.580 2.878 2.690 3.126 . 0 0 "[ . 1 . 2]" 1
518 1 68 LEU HG 1 69 ARG H . . 4.520 2.092 2.024 2.188 . 0 0 "[ . 1 . 2]" 1
519 1 65 VAL HA 1 68 LEU HG . . 3.690 2.589 2.492 2.657 . 0 0 "[ . 1 . 2]" 1
520 1 68 LEU HA 1 68 LEU HG . . 3.920 3.698 3.683 3.707 . 0 0 "[ . 1 . 2]" 1
521 1 68 LEU HG 1 69 ARG HA . . 3.750 3.518 3.308 3.678 . 0 0 "[ . 1 . 2]" 1
522 1 86 TYR HD1 1 91 LEU HG . . 3.980 2.621 2.573 2.746 . 0 0 "[ . 1 . 2]" 1
523 1 91 LEU H 1 91 LEU HG . . 4.150 3.812 3.799 3.838 . 0 0 "[ . 1 . 2]" 1
524 1 86 TYR HE1 1 91 LEU HG . . 4.490 4.025 3.973 4.172 . 0 0 "[ . 1 . 2]" 1
525 1 86 TYR HA 1 91 LEU HG . . 3.550 3.432 3.389 3.499 . 0 0 "[ . 1 . 2]" 1
526 1 86 TYR HB2 1 91 LEU HG . . 4.480 4.235 4.157 4.274 . 0 0 "[ . 1 . 2]" 1
527 1 91 LEU HG 1 104 ALA MB . . 3.060 3.032 2.975 3.061 0.001 4 0 "[ . 1 . 2]" 1
528 1 79 LEU HG 1 91 LEU HG . . 4.010 3.932 3.821 4.035 0.025 13 0 "[ . 1 . 2]" 1
529 1 89 LEU HB2 1 91 LEU HG . . 3.790 3.747 3.701 3.786 . 0 0 "[ . 1 . 2]" 1
530 1 86 TYR HB3 1 91 LEU HG . . 5.500 5.595 5.575 5.619 0.119 15 0 "[ . 1 . 2]" 1
531 1 89 LEU H 1 89 LEU HG . . 4.200 2.979 2.866 3.044 . 0 0 "[ . 1 . 2]" 1
532 1 88 GLU H 1 89 LEU HG . . 5.500 5.303 5.002 5.437 . 0 0 "[ . 1 . 2]" 1
533 1 89 LEU HA 1 89 LEU HG . . 3.940 2.453 2.408 2.545 . 0 0 "[ . 1 . 2]" 1
534 1 75 PRO HB3 1 102 ILE H . . 5.500 5.578 5.538 5.641 0.141 9 0 "[ . 1 . 2]" 1
535 1 75 PRO HB2 1 98 ASP HA . . 4.990 4.751 4.508 5.014 0.024 16 0 "[ . 1 . 2]" 1
536 1 75 PRO HB2 1 101 LEU HB3 . . 4.260 2.659 2.530 2.936 . 0 0 "[ . 1 . 2]" 1
537 1 68 LEU HG 1 75 PRO HB3 . . 3.780 3.544 3.318 3.681 . 0 0 "[ . 1 . 2]" 1
538 1 75 PRO HB3 1 101 LEU HB3 . . 4.640 4.270 4.066 4.635 . 0 0 "[ . 1 . 2]" 1
539 1 75 PRO HG3 1 76 ARG H . . 4.960 4.380 4.256 4.395 . 0 0 "[ . 1 . 2]" 1
540 1 75 PRO HG2 1 98 ASP HA . . 4.830 3.269 2.994 3.821 . 0 0 "[ . 1 . 2]" 1
541 1 75 PRO HG3 1 98 ASP HA . . 5.500 4.194 3.891 5.029 . 0 0 "[ . 1 . 2]" 1
542 1 82 LYS HA 1 82 LYS HG3 . . 4.050 3.149 2.387 3.758 . 0 0 "[ . 1 . 2]" 1
543 1 82 LYS HA 1 82 LYS HG2 . . 4.050 2.887 2.071 3.816 . 0 0 "[ . 1 . 2]" 1
544 1 82 LYS HA 1 82 LYS HE2 . . 5.500 4.293 2.216 5.483 . 0 0 "[ . 1 . 2]" 1
545 1 82 LYS HA 1 82 LYS HE3 . . 5.500 4.059 2.243 5.495 . 0 0 "[ . 1 . 2]" 1
546 1 15 GLN H 1 15 GLN HG2 . . 5.370 3.954 1.953 5.289 . 0 0 "[ . 1 . 2]" 1
547 1 15 GLN H 1 15 GLN HG3 . . 5.370 3.791 2.499 4.785 . 0 0 "[ . 1 . 2]" 1
548 1 27 TYR HB3 1 116 VAL MG1 . . 5.500 5.413 5.184 5.535 0.035 6 0 "[ . 1 . 2]" 1
549 1 27 TYR HB3 1 116 VAL MG2 . . 5.500 4.962 4.443 5.354 . 0 0 "[ . 1 . 2]" 1
550 1 27 TYR HB2 1 116 VAL MG1 . . 5.500 4.016 3.794 4.114 . 0 0 "[ . 1 . 2]" 1
551 1 27 TYR HB2 1 116 VAL MG2 . . 5.500 3.839 3.422 4.165 . 0 0 "[ . 1 . 2]" 1
552 1 27 TYR HA 1 54 TYR H . . 4.790 4.480 3.936 4.824 0.034 9 0 "[ . 1 . 2]" 1
553 1 27 TYR HA 1 52 ILE HB . . 4.350 3.293 2.074 3.762 . 0 0 "[ . 1 . 2]" 1
554 1 52 ILE MG 1 54 TYR HB3 . . 4.360 3.765 2.772 4.387 0.027 12 0 "[ . 1 . 2]" 1
555 1 52 ILE MG 1 54 TYR HB2 . . 4.360 3.000 2.429 4.362 0.002 13 0 "[ . 1 . 2]" 1
556 1 52 ILE MG 1 54 TYR HA . . 4.650 4.241 3.558 4.642 . 0 0 "[ . 1 . 2]" 1
557 1 80 ARG HA 1 81 ALA HA . . 4.650 4.313 4.304 4.317 . 0 0 "[ . 1 . 2]" 1
558 1 81 ALA HA 1 86 TYR HB3 . . 5.180 5.354 5.307 5.376 0.196 10 0 "[ . 1 . 2]" 1
559 1 81 ALA HA 1 86 TYR HE2 . . 4.580 4.479 4.407 4.556 . 0 0 "[ . 1 . 2]" 1
560 1 96 LEU H 1 96 LEU HG . . 3.650 2.571 1.887 3.088 . 0 0 "[ . 1 . 2]" 1
561 1 93 ASP HB2 1 96 LEU HG . . 4.090 2.677 2.073 4.106 0.016 18 0 "[ . 1 . 2]" 1
562 1 64 LEU H 1 64 LEU HG . . 4.770 4.502 4.461 4.573 . 0 0 "[ . 1 . 2]" 1
563 1 64 LEU HG 1 65 VAL H . . 4.710 4.185 3.722 4.391 . 0 0 "[ . 1 . 2]" 1
564 1 64 LEU HG 1 68 LEU H . . 5.210 4.286 3.895 4.748 . 0 0 "[ . 1 . 2]" 1
565 1 64 LEU HG 1 65 VAL HA . . 4.480 4.253 3.724 4.508 0.028 8 0 "[ . 1 . 2]" 1
566 1 34 THR H 1 35 SER HB2 . . 5.500 5.215 4.903 5.427 . 0 0 "[ . 1 . 2]" 1
567 1 34 THR H 1 35 SER HB3 . . 5.500 4.971 4.612 5.268 . 0 0 "[ . 1 . 2]" 1
568 1 38 VAL H 1 38 VAL MG2 . . 4.040 2.569 1.881 3.764 . 0 0 "[ . 1 . 2]" 1
569 1 38 VAL MG2 1 39 LEU H . . 4.070 3.119 1.878 3.764 . 0 0 "[ . 1 . 2]" 1
570 1 38 VAL HA 1 38 VAL MG2 . . 3.460 2.602 2.254 3.197 . 0 0 "[ . 1 . 2]" 1
571 1 47 ILE HB 1 49 PRO HD3 . . 3.860 3.074 2.678 3.459 . 0 0 "[ . 1 . 2]" 1
572 1 135 LEU HA 1 135 LEU MD1 . . 3.000 2.229 2.138 2.496 . 0 0 "[ . 1 . 2]" 1
573 1 123 VAL HA 1 135 LEU MD2 . . 4.740 2.955 2.607 3.405 . 0 0 "[ . 1 . 2]" 1
574 1 124 ARG HB2 1 135 LEU MD2 . . 3.670 1.947 1.887 2.140 . 0 0 "[ . 1 . 2]" 1
575 1 124 ARG HB3 1 135 LEU MD2 . . 3.670 2.027 1.872 2.324 . 0 0 "[ . 1 . 2]" 1
576 1 135 LEU HB3 1 135 LEU MD2 . . 3.440 2.208 2.059 2.262 . 0 0 "[ . 1 . 2]" 1
577 1 135 LEU MD1 1 136 LEU H . . 5.200 4.206 4.018 4.538 . 0 0 "[ . 1 . 2]" 1
578 1 135 LEU MD2 1 136 LEU H . . 5.500 4.212 4.028 4.329 . 0 0 "[ . 1 . 2]" 1
579 1 135 LEU H 1 135 LEU MD1 . . 4.720 4.239 4.199 4.289 . 0 0 "[ . 1 . 2]" 1
580 1 135 LEU H 1 135 LEU MD2 . . 5.050 4.109 4.077 4.153 . 0 0 "[ . 1 . 2]" 1
581 1 121 LYS H 1 135 LEU MD1 . . 4.880 4.691 4.522 4.894 0.014 16 0 "[ . 1 . 2]" 1
582 1 52 ILE H 1 52 ILE HG12 . . 4.710 3.673 2.479 4.204 . 0 0 "[ . 1 . 2]" 1
583 1 52 ILE H 1 52 ILE HG13 . . 4.710 3.182 2.850 4.079 . 0 0 "[ . 1 . 2]" 1
584 1 52 ILE HG13 1 53 GLU H . . 5.250 5.097 4.839 5.261 0.011 14 0 "[ . 1 . 2]" 1
585 1 52 ILE HG12 1 53 GLU H . . 5.250 4.555 4.243 5.028 . 0 0 "[ . 1 . 2]" 1
586 1 112 MET ME 1 112 MET HG2 . . 3.550 2.882 2.080 3.376 . 0 0 "[ . 1 . 2]" 1
587 1 112 MET ME 1 112 MET HG3 . . 3.550 2.606 1.986 3.385 . 0 0 "[ . 1 . 2]" 1
588 1 110 VAL HA 1 112 MET ME . . 5.500 4.534 3.360 5.570 0.070 12 0 "[ . 1 . 2]" 1
589 1 112 MET HA 1 112 MET ME . . 5.500 4.633 3.890 5.369 . 0 0 "[ . 1 . 2]" 1
590 1 112 MET ME 1 127 ARG H . . 4.910 4.783 3.780 4.990 0.080 12 0 "[ . 1 . 2]" 1
591 1 71 MET H 1 71 MET ME . . 4.260 3.963 3.477 4.272 0.012 13 0 "[ . 1 . 2]" 1
592 1 71 MET ME 1 125 LEU H . . 5.500 4.919 4.032 5.443 . 0 0 "[ . 1 . 2]" 1
593 1 68 LEU H 1 71 MET ME . . 4.700 3.998 3.507 4.328 . 0 0 "[ . 1 . 2]" 1
594 1 67 LEU H 1 71 MET ME . . 5.300 5.064 4.692 5.508 0.208 18 0 "[ . 1 . 2]" 1
595 1 71 MET ME 1 124 ARG HA . . 4.450 4.329 4.036 4.460 0.010 13 0 "[ . 1 . 2]" 1
596 1 63 MET ME 1 67 LEU MD1 . . 4.160 2.666 1.865 3.899 . 0 0 "[ . 1 . 2]" 1
597 1 63 MET HA 1 63 MET ME . . 3.570 3.141 1.931 3.470 . 0 0 "[ . 1 . 2]" 1
598 1 60 PRO HD2 1 63 MET ME . . 4.150 3.859 3.435 4.289 0.139 8 0 "[ . 1 . 2]" 1
599 1 63 MET H 1 63 MET ME . . 5.060 4.664 3.411 4.929 . 0 0 "[ . 1 . 2]" 1
600 1 63 MET ME 1 64 LEU H . . 4.940 4.890 4.672 5.025 0.085 8 0 "[ . 1 . 2]" 1
601 1 63 MET ME 1 67 LEU H . . 4.880 4.773 4.392 4.885 0.005 16 0 "[ . 1 . 2]" 1
602 1 48 GLU HA 1 49 PRO HG3 . . 4.950 4.533 4.458 4.600 . 0 0 "[ . 1 . 2]" 1
603 1 48 GLU HA 1 49 PRO HG2 . . 5.030 4.149 4.123 4.178 . 0 0 "[ . 1 . 2]" 1
604 1 42 ILE MG 1 49 PRO HG3 . . 3.840 2.004 1.895 2.328 . 0 0 "[ . 1 . 2]" 1
605 1 42 ILE MG 1 49 PRO HG2 . . 4.220 3.353 3.009 3.711 . 0 0 "[ . 1 . 2]" 1
606 1 126 CYS HA 1 132 VAL HB . . 5.050 2.735 2.553 2.883 . 0 0 "[ . 1 . 2]" 1
607 1 128 PRO HG2 1 130 GLU H . . 5.050 2.846 2.761 2.904 . 0 0 "[ . 1 . 2]" 1
608 1 128 PRO HB3 1 130 GLU H . . 4.450 4.082 4.043 4.152 . 0 0 "[ . 1 . 2]" 1
609 1 128 PRO HB3 1 129 ALA MB . . 4.980 4.820 4.771 4.883 . 0 0 "[ . 1 . 2]" 1
610 1 128 PRO HB2 1 129 ALA MB . . 4.980 3.698 3.617 3.773 . 0 0 "[ . 1 . 2]" 1
611 1 59 LEU HA 1 60 PRO HG2 . . 5.280 4.527 4.117 4.595 . 0 0 "[ . 1 . 2]" 1
612 1 59 LEU HA 1 60 PRO HG3 . . 5.280 4.498 4.370 4.536 . 0 0 "[ . 1 . 2]" 1
613 1 26 ILE HB 1 26 ILE MD . . 3.390 3.077 2.264 3.219 . 0 0 "[ . 1 . 2]" 1
614 1 26 ILE MD 1 126 CYS HB2 . . 4.100 3.934 3.416 4.252 0.152 15 0 "[ . 1 . 2]" 1
615 1 26 ILE HG12 1 27 TYR H . . 5.500 5.113 4.894 5.263 . 0 0 "[ . 1 . 2]" 1
616 1 26 ILE HG12 1 118 VAL H . . 5.500 5.006 4.800 5.123 . 0 0 "[ . 1 . 2]" 1
617 1 26 ILE HG13 1 27 TYR H . . 5.500 5.032 3.794 5.512 0.012 17 0 "[ . 1 . 2]" 1
618 1 26 ILE HG13 1 118 VAL H . . 5.500 5.169 3.388 5.574 0.074 13 0 "[ . 1 . 2]" 1
619 1 86 TYR HB2 1 86 TYR HD1 . . 3.740 2.517 2.448 2.540 . 0 0 "[ . 1 . 2]" 1
620 1 86 TYR HA 1 86 TYR HD1 . . 4.270 3.097 3.055 3.245 . 0 0 "[ . 1 . 2]" 1
621 1 86 TYR HD1 1 89 LEU HB2 . . 5.250 5.192 5.124 5.268 0.018 15 0 "[ . 1 . 2]" 1
622 1 86 TYR HD1 1 91 LEU HB3 . . 4.010 2.565 2.490 2.594 . 0 0 "[ . 1 . 2]" 1
623 1 79 LEU HB2 1 86 TYR HD1 . . 4.130 3.154 2.961 3.229 . 0 0 "[ . 1 . 2]" 1
624 1 79 LEU HG 1 86 TYR HE1 . . 4.230 3.930 3.753 4.182 . 0 0 "[ . 1 . 2]" 1
625 1 79 LEU HB3 1 86 TYR HE1 . . 4.360 4.407 4.351 4.429 0.069 2 0 "[ . 1 . 2]" 1
626 1 27 TYR QD 1 116 VAL HB . . 3.900 2.953 2.560 3.169 . 0 0 "[ . 1 . 2]" 1
627 1 27 TYR QD 1 52 ILE HB . . 4.440 2.324 1.985 2.848 . 0 0 "[ . 1 . 2]" 1
628 1 27 TYR QD 1 116 VAL MG1 . . 4.700 3.126 2.896 3.510 . 0 0 "[ . 1 . 2]" 1
629 1 27 TYR QD 1 116 VAL MG2 . . 4.700 4.336 4.093 4.619 . 0 0 "[ . 1 . 2]" 1
630 1 25 THR MG 1 27 TYR QE . . 3.960 2.715 1.882 3.505 . 0 0 "[ . 1 . 2]" 1
631 1 27 TYR QE 1 52 ILE HB . . 4.400 2.831 2.237 3.710 . 0 0 "[ . 1 . 2]" 1
632 1 27 TYR QE 1 116 VAL HB . . 5.230 5.015 4.604 5.177 . 0 0 "[ . 1 . 2]" 1
633 1 27 TYR QE 1 118 VAL HB . . 4.480 3.531 2.728 4.091 . 0 0 "[ . 1 . 2]" 1
634 1 11 THR HA 1 12 LEU H . . 3.140 2.378 2.146 2.974 . 0 0 "[ . 1 . 2]" 1
635 1 12 LEU HA 1 13 GLU H . . 3.070 2.438 2.146 2.718 . 0 0 "[ . 1 . 2]" 1
636 1 12 LEU HB2 1 13 GLU H . . 4.650 3.258 1.959 4.640 . 0 0 "[ . 1 . 2]" 1
637 1 12 LEU HB3 1 13 GLU H . . 4.650 3.289 2.126 4.364 . 0 0 "[ . 1 . 2]" 1
638 1 13 GLU HA 1 14 ALA H . . 3.120 2.442 2.148 2.649 . 0 0 "[ . 1 . 2]" 1
639 1 14 ALA H 1 14 ALA MB . . 3.230 2.563 2.068 2.872 . 0 0 "[ . 1 . 2]" 1
640 1 14 ALA HA 1 15 GLN H . . 3.400 2.488 2.148 3.553 0.153 8 0 "[ . 1 . 2]" 1
641 1 14 ALA MB 1 15 GLN H . . 4.430 2.475 1.988 3.424 . 0 0 "[ . 1 . 2]" 1
642 1 20 GLY H 1 21 SER H . . 4.930 4.264 3.101 4.647 . 0 0 "[ . 1 . 2]" 1
643 1 21 SER H 1 22 MET H . . 3.480 2.520 2.087 3.143 . 0 0 "[ . 1 . 2]" 1
644 1 21 SER HA 1 22 MET H . . 3.280 2.943 2.353 3.318 0.038 2 0 "[ . 1 . 2]" 1
645 1 21 SER HB2 1 22 MET H . . 5.250 4.338 3.469 4.607 . 0 0 "[ . 1 . 2]" 1
646 1 21 SER HB3 1 22 MET H . . 5.250 4.269 3.878 4.586 . 0 0 "[ . 1 . 2]" 1
647 1 22 MET H 1 47 ILE MD . . 5.500 5.509 5.352 5.541 0.041 8 0 "[ . 1 . 2]" 1
648 1 22 MET HA 1 23 ASP H . . 2.930 2.250 2.141 2.590 . 0 0 "[ . 1 . 2]" 1
649 1 23 ASP H 1 23 ASP HB2 . . 3.230 2.684 2.195 2.951 . 0 0 "[ . 1 . 2]" 1
650 1 23 ASP H 1 24 VAL HB . . 5.500 4.766 3.758 5.532 0.032 10 0 "[ . 1 . 2]" 1
651 1 24 VAL H 1 24 VAL HB . . 3.810 3.033 2.566 3.831 0.021 7 0 "[ . 1 . 2]" 1
652 1 23 ASP HB2 1 24 VAL H . . 4.870 4.471 4.136 4.598 . 0 0 "[ . 1 . 2]" 1
653 1 23 ASP HA 1 24 VAL H . . 3.060 2.591 2.433 2.947 . 0 0 "[ . 1 . 2]" 1
654 1 24 VAL H 1 25 THR H . . 4.990 4.384 4.324 4.470 . 0 0 "[ . 1 . 2]" 1
655 1 24 VAL H 1 50 HIS H . . 5.400 4.378 3.904 4.809 . 0 0 "[ . 1 . 2]" 1
656 1 79 LEU HA 1 80 ARG H . . 3.380 2.164 2.162 2.165 . 0 0 "[ . 1 . 2]" 1
657 1 26 ILE H 1 50 HIS H . . 4.150 3.322 2.831 3.787 . 0 0 "[ . 1 . 2]" 1
658 1 25 THR HA 1 26 ILE H . . 3.240 2.184 2.153 2.214 . 0 0 "[ . 1 . 2]" 1
659 1 26 ILE H 1 26 ILE MD . . 3.430 2.962 2.477 3.118 . 0 0 "[ . 1 . 2]" 1
660 1 26 ILE H 1 26 ILE MG . . 3.870 3.868 3.678 3.917 0.047 7 0 "[ . 1 . 2]" 1
661 1 30 PRO HD2 1 31 VAL H . . 5.500 5.033 4.808 5.635 0.135 7 0 "[ . 1 . 2]" 1
662 1 30 PRO HD3 1 31 VAL H . . 5.500 5.214 5.075 5.590 0.090 7 0 "[ . 1 . 2]" 1
663 1 31 VAL H 1 31 VAL HB . . 3.850 2.970 2.474 3.816 . 0 0 "[ . 1 . 2]" 1
664 1 31 VAL H 1 32 CYS H . . 4.440 4.281 3.906 4.515 0.075 9 0 "[ . 1 . 2]" 1
665 1 32 CYS H 1 32 CYS HB2 . . 4.110 2.890 2.120 3.594 . 0 0 "[ . 1 . 2]" 1
666 1 32 CYS H 1 32 CYS HB3 . . 4.110 3.068 2.461 3.592 . 0 0 "[ . 1 . 2]" 1
667 1 31 VAL HB 1 32 CYS H . . 4.800 4.166 3.119 4.341 . 0 0 "[ . 1 . 2]" 1
668 1 31 VAL MG1 1 32 CYS H . . 4.270 3.502 2.450 4.207 . 0 0 "[ . 1 . 2]" 1
669 1 36 ARG H 1 37 LYS H . . 4.150 2.621 2.531 2.712 . 0 0 "[ . 1 . 2]" 1
670 1 36 ARG H 1 36 ARG HG2 . . 4.370 3.284 1.964 4.519 0.149 15 0 "[ . 1 . 2]" 1
671 1 36 ARG H 1 36 ARG HG3 . . 4.370 3.330 2.085 4.093 . 0 0 "[ . 1 . 2]" 1
672 1 37 LYS H 1 37 LYS HB2 . . 3.860 2.568 2.469 2.909 . 0 0 "[ . 1 . 2]" 1
673 1 37 LYS H 1 37 LYS HB3 . . 3.860 2.490 2.211 2.575 . 0 0 "[ . 1 . 2]" 1
674 1 37 LYS H 1 37 LYS HG3 . . 4.650 4.452 4.408 4.661 0.011 10 0 "[ . 1 . 2]" 1
675 1 37 LYS H 1 37 LYS HG2 . . 4.650 4.520 4.359 4.617 . 0 0 "[ . 1 . 2]" 1
676 1 34 THR H 1 35 SER H . . 3.940 2.816 2.569 2.988 . 0 0 "[ . 1 . 2]" 1
677 1 35 SER H 1 36 ARG H . . 4.440 2.747 2.635 2.890 . 0 0 "[ . 1 . 2]" 1
678 1 34 THR HB 1 35 SER H . . 4.220 2.896 2.103 3.712 . 0 0 "[ . 1 . 2]" 1
679 1 37 LYS H 1 38 VAL H . . 3.910 2.794 2.688 2.912 . 0 0 "[ . 1 . 2]" 1
680 1 38 VAL H 1 38 VAL HB . . 3.770 2.889 2.503 3.611 . 0 0 "[ . 1 . 2]" 1
681 1 38 VAL H 1 39 LEU H . . 4.010 2.777 2.668 2.885 . 0 0 "[ . 1 . 2]" 1
682 1 36 ARG HA 1 39 LEU H . . 4.690 3.789 3.673 3.971 . 0 0 "[ . 1 . 2]" 1
683 1 38 VAL HB 1 39 LEU H . . 4.080 3.170 2.300 3.939 . 0 0 "[ . 1 . 2]" 1
684 1 38 VAL MG1 1 39 LEU H . . 4.070 3.074 1.957 3.954 . 0 0 "[ . 1 . 2]" 1
685 1 39 LEU H 1 40 GLY H . . 3.640 2.697 2.607 2.781 . 0 0 "[ . 1 . 2]" 1
686 1 40 GLY H 1 41 MET H . . 3.890 2.725 2.619 2.849 . 0 0 "[ . 1 . 2]" 1
687 1 40 GLY H 1 43 ARG H . . 5.160 4.741 4.658 4.858 . 0 0 "[ . 1 . 2]" 1
688 1 39 LEU HB2 1 40 GLY H . . 4.480 2.838 2.708 3.082 . 0 0 "[ . 1 . 2]" 1
689 1 39 LEU HB3 1 40 GLY H . . 4.480 3.391 3.026 3.656 . 0 0 "[ . 1 . 2]" 1
690 1 38 VAL H 1 41 MET H . . 5.380 4.885 4.689 5.025 . 0 0 "[ . 1 . 2]" 1
691 1 41 MET H 1 44 GLU H . . 5.500 4.691 4.616 4.896 . 0 0 "[ . 1 . 2]" 1
692 1 39 LEU HA 1 41 MET H . . 4.740 4.641 4.468 4.744 0.004 7 0 "[ . 1 . 2]" 1
693 1 38 VAL HA 1 41 MET H . . 4.450 3.601 3.451 3.787 . 0 0 "[ . 1 . 2]" 1
694 1 41 MET H 1 41 MET HG2 . . 4.030 2.404 2.126 3.002 . 0 0 "[ . 1 . 2]" 1
695 1 41 MET H 1 41 MET HB2 . . 3.810 2.398 2.259 2.519 . 0 0 "[ . 1 . 2]" 1
696 1 41 MET H 1 41 MET HB3 . . 3.810 3.573 3.534 3.590 . 0 0 "[ . 1 . 2]" 1
697 1 41 MET H 1 132 VAL MG1 . . 5.500 5.541 5.501 5.590 0.090 9 0 "[ . 1 . 2]" 1
698 1 41 MET H 1 42 ILE MD . . 5.500 5.076 4.770 5.432 . 0 0 "[ . 1 . 2]" 1
699 1 39 LEU HA 1 42 ILE H . . 4.520 3.749 3.540 3.901 . 0 0 "[ . 1 . 2]" 1
700 1 42 ILE H 1 42 ILE HB . . 3.650 2.580 2.437 2.655 . 0 0 "[ . 1 . 2]" 1
701 1 42 ILE H 1 42 ILE MG . . 3.910 3.764 3.748 3.769 . 0 0 "[ . 1 . 2]" 1
702 1 42 ILE H 1 43 ARG H . . 3.820 2.771 2.687 2.848 . 0 0 "[ . 1 . 2]" 1
703 1 39 LEU HA 1 43 ARG H . . 4.960 3.617 3.439 3.846 . 0 0 "[ . 1 . 2]" 1
704 1 43 ARG H 1 43 ARG HG2 . . 4.400 3.604 2.425 4.547 0.147 16 0 "[ . 1 . 2]" 1
705 1 43 ARG H 1 43 ARG HG3 . . 4.400 2.930 2.316 4.259 . 0 0 "[ . 1 . 2]" 1
706 1 42 ILE MG 1 43 ARG H . . 4.130 3.254 3.049 3.392 . 0 0 "[ . 1 . 2]" 1
707 1 43 ARG H 1 44 GLU H . . 3.700 2.785 2.696 2.865 . 0 0 "[ . 1 . 2]" 1
708 1 42 ILE H 1 44 GLU H . . 4.800 4.042 3.868 4.174 . 0 0 "[ . 1 . 2]" 1
709 1 44 GLU H 1 44 GLU HB2 . . 3.690 2.495 2.218 3.609 . 0 0 "[ . 1 . 2]" 1
710 1 43 ARG HG2 1 44 GLU H . . 5.290 4.493 2.277 5.168 . 0 0 "[ . 1 . 2]" 1
711 1 43 ARG HG3 1 44 GLU H . . 5.290 4.236 2.481 5.044 . 0 0 "[ . 1 . 2]" 1
712 1 44 GLU H 1 45 ALA MB . . 4.530 4.075 4.019 4.233 . 0 0 "[ . 1 . 2]" 1
713 1 44 GLU H 1 45 ALA H . . 3.420 2.461 2.430 2.577 . 0 0 "[ . 1 . 2]" 1
714 1 45 ALA H 1 46 GLY H . . 3.410 2.526 2.499 2.534 . 0 0 "[ . 1 . 2]" 1
715 1 42 ILE HA 1 45 ALA H . . 4.710 3.299 3.236 3.422 . 0 0 "[ . 1 . 2]" 1
716 1 46 GLY H 1 47 ILE H . . 3.360 2.119 1.935 2.459 . 0 0 "[ . 1 . 2]" 1
717 1 44 GLU HA 1 46 GLY H . . 4.260 3.967 3.894 4.071 . 0 0 "[ . 1 . 2]" 1
718 1 45 ALA MB 1 47 ILE H . . 3.760 3.613 3.339 3.762 0.002 5 0 "[ . 1 . 2]" 1
719 1 47 ILE H 1 47 ILE HG12 . . 4.430 3.289 2.498 4.314 . 0 0 "[ . 1 . 2]" 1
720 1 47 ILE H 1 47 ILE HG13 . . 4.430 3.774 3.185 4.233 . 0 0 "[ . 1 . 2]" 1
721 1 42 ILE MG 1 47 ILE H . . 4.040 3.124 2.573 3.315 . 0 0 "[ . 1 . 2]" 1
722 1 45 ALA H 1 47 ILE H . . 4.510 4.026 3.774 4.322 . 0 0 "[ . 1 . 2]" 1
723 1 47 ILE HA 1 48 GLU H . . 3.110 2.225 2.186 2.297 . 0 0 "[ . 1 . 2]" 1
724 1 48 GLU H 1 49 PRO HD2 . . 5.350 4.270 4.066 4.443 . 0 0 "[ . 1 . 2]" 1
725 1 48 GLU H 1 49 PRO HD3 . . 5.500 3.639 3.318 3.915 . 0 0 "[ . 1 . 2]" 1
726 1 48 GLU H 1 48 GLU HB2 . . 3.840 2.740 2.341 3.715 . 0 0 "[ . 1 . 2]" 1
727 1 48 GLU H 1 48 GLU HB3 . . 3.840 3.097 2.533 3.740 . 0 0 "[ . 1 . 2]" 1
728 1 47 ILE MD 1 48 GLU H . . 5.080 4.114 3.508 4.867 . 0 0 "[ . 1 . 2]" 1
729 1 49 PRO HA 1 50 HIS H . . 3.470 2.346 2.155 2.549 . 0 0 "[ . 1 . 2]" 1
730 1 26 ILE MD 1 50 HIS H . . 4.920 3.780 3.446 4.231 . 0 0 "[ . 1 . 2]" 1
731 1 50 HIS HB2 1 51 VAL H . . 5.170 4.418 4.149 4.553 . 0 0 "[ . 1 . 2]" 1
732 1 50 HIS HB3 1 51 VAL H . . 5.170 3.631 2.989 4.405 . 0 0 "[ . 1 . 2]" 1
733 1 51 VAL H 1 51 VAL HB . . 3.670 3.137 2.516 3.665 . 0 0 "[ . 1 . 2]" 1
734 1 27 TYR HA 1 53 GLU H . . 5.500 5.433 5.214 5.523 0.023 9 0 "[ . 1 . 2]" 1
735 1 52 ILE HA 1 53 GLU H . . 3.470 2.166 2.142 2.190 . 0 0 "[ . 1 . 2]" 1
736 1 62 ASP H 1 63 MET H . . 3.500 2.897 2.719 3.041 . 0 0 "[ . 1 . 2]" 1
737 1 61 ARG H 1 62 ASP H . . 3.550 2.872 2.760 2.905 . 0 0 "[ . 1 . 2]" 1
738 1 62 ASP H 1 62 ASP HB2 . . 3.590 2.570 2.242 3.565 . 0 0 "[ . 1 . 2]" 1
739 1 62 ASP H 1 62 ASP HB3 . . 3.590 2.964 2.351 3.590 0.000 10 0 "[ . 1 . 2]" 1
740 1 62 ASP H 1 106 ILE HG13 . . 5.500 5.548 5.518 5.603 0.103 16 0 "[ . 1 . 2]" 1
741 1 62 ASP H 1 102 ILE MG . . 4.860 4.699 4.356 4.860 0.000 8 0 "[ . 1 . 2]" 1
742 1 63 MET H 1 64 LEU H . . 3.540 2.699 2.525 2.843 . 0 0 "[ . 1 . 2]" 1
743 1 62 ASP HB2 1 63 MET H . . 4.600 3.244 2.225 4.045 . 0 0 "[ . 1 . 2]" 1
744 1 64 LEU H 1 64 LEU HB2 . . 3.540 2.495 2.317 2.655 . 0 0 "[ . 1 . 2]" 1
745 1 64 LEU H 1 64 LEU MD1 . . 4.910 4.092 3.823 4.296 . 0 0 "[ . 1 . 2]" 1
746 1 64 LEU H 1 65 VAL H . . 3.580 2.639 2.568 2.738 . 0 0 "[ . 1 . 2]" 1
747 1 62 ASP HA 1 65 VAL H . . 4.340 3.533 3.345 3.716 . 0 0 "[ . 1 . 2]" 1
748 1 65 VAL H 1 65 VAL HB . . 3.340 2.613 2.413 2.694 . 0 0 "[ . 1 . 2]" 1
749 1 65 VAL H 1 68 LEU HB3 . . 5.410 5.164 4.972 5.278 . 0 0 "[ . 1 . 2]" 1
750 1 65 VAL H 1 65 VAL MG2 . . 3.860 2.903 2.107 3.771 . 0 0 "[ . 1 . 2]" 1
751 1 66 GLU H 1 67 LEU H . . 3.650 2.564 2.511 2.641 . 0 0 "[ . 1 . 2]" 1
752 1 65 VAL H 1 66 GLU H . . 3.560 2.657 2.550 2.764 . 0 0 "[ . 1 . 2]" 1
753 1 67 LEU H 1 68 LEU H . . 3.770 2.510 2.471 2.540 . 0 0 "[ . 1 . 2]" 1
754 1 67 LEU H 1 67 LEU MD2 . . 4.360 3.921 2.442 4.305 . 0 0 "[ . 1 . 2]" 1
755 1 67 LEU H 1 67 LEU MD1 . . 4.360 3.521 2.352 4.128 . 0 0 "[ . 1 . 2]" 1
756 1 68 LEU H 1 68 LEU HB3 . . 3.800 2.237 2.144 2.312 . 0 0 "[ . 1 . 2]" 1
757 1 69 ARG H 1 70 GLN H . . 3.600 2.502 2.485 2.523 . 0 0 "[ . 1 . 2]" 1
758 1 68 LEU H 1 69 ARG H . . 3.520 2.538 2.497 2.607 . 0 0 "[ . 1 . 2]" 1
759 1 66 GLU HA 1 69 ARG H . . 4.140 3.646 3.570 3.744 . 0 0 "[ . 1 . 2]" 1
760 1 69 ARG H 1 69 ARG HB2 . . 3.690 3.587 3.567 3.601 . 0 0 "[ . 1 . 2]" 1
761 1 69 ARG H 1 69 ARG HG2 . . 4.200 2.446 2.325 2.606 . 0 0 "[ . 1 . 2]" 1
762 1 69 ARG H 1 69 ARG HG3 . . 4.200 3.632 3.527 3.773 . 0 0 "[ . 1 . 2]" 1
763 1 69 ARG HB2 1 70 GLN H . . 4.010 3.941 3.878 4.024 0.014 6 0 "[ . 1 . 2]" 1
764 1 69 ARG HA 1 71 MET H . . 4.340 4.223 4.149 4.263 . 0 0 "[ . 1 . 2]" 1
765 1 71 MET H 1 72 ALA H . . 3.760 2.928 2.845 2.979 . 0 0 "[ . 1 . 2]" 1
766 1 71 MET H 1 73 ILE H . . 5.150 5.034 4.984 5.082 . 0 0 "[ . 1 . 2]" 1
767 1 72 ALA H 1 73 ILE H . . 3.660 2.492 2.464 2.532 . 0 0 "[ . 1 . 2]" 1
768 1 69 ARG HA 1 73 ILE H . . 4.130 3.857 3.722 3.957 . 0 0 "[ . 1 . 2]" 1
769 1 73 ILE H 1 73 ILE HG13 . . 4.380 4.163 4.153 4.184 . 0 0 "[ . 1 . 2]" 1
770 1 73 ILE HB 1 74 SER H . . 3.330 2.369 2.319 2.443 . 0 0 "[ . 1 . 2]" 1
771 1 74 SER H 1 77 ALA MB . . 4.590 4.568 4.255 4.615 0.025 16 0 "[ . 1 . 2]" 1
772 1 73 ILE HG12 1 74 SER H . . 3.590 3.027 2.691 3.108 . 0 0 "[ . 1 . 2]" 1
773 1 74 SER HB2 1 76 ARG H . . 4.350 3.528 3.315 3.607 . 0 0 "[ . 1 . 2]" 1
774 1 74 SER HB3 1 76 ARG H . . 4.350 2.215 2.100 4.036 . 0 0 "[ . 1 . 2]" 1
775 1 75 PRO HD2 1 76 ARG H . . 3.850 2.836 2.760 2.847 . 0 0 "[ . 1 . 2]" 1
776 1 75 PRO HG2 1 76 ARG H . . 3.960 3.035 2.872 3.055 . 0 0 "[ . 1 . 2]" 1
777 1 76 ARG H 1 76 ARG HB2 . . 4.190 3.030 2.085 3.602 . 0 0 "[ . 1 . 2]" 1
778 1 75 PRO HB2 1 76 ARG H . . 4.030 3.792 3.692 3.804 . 0 0 "[ . 1 . 2]" 1
779 1 76 ARG H 1 101 LEU HB3 . . 5.230 4.920 4.573 5.183 . 0 0 "[ . 1 . 2]" 1
780 1 73 ILE HG12 1 76 ARG H . . 4.840 4.585 4.536 4.639 . 0 0 "[ . 1 . 2]" 1
781 1 76 ARG H 1 77 ALA H . . 3.670 2.531 2.514 2.548 . 0 0 "[ . 1 . 2]" 1
782 1 73 ILE HB 1 77 ALA H . . 5.500 4.924 4.751 5.214 . 0 0 "[ . 1 . 2]" 1
783 1 75 PRO HG2 1 77 ALA H . . 5.500 5.476 5.286 5.507 0.007 9 0 "[ . 1 . 2]" 1
784 1 76 ARG HB2 1 77 ALA H . . 4.610 3.682 2.746 4.019 . 0 0 "[ . 1 . 2]" 1
785 1 73 ILE HG12 1 77 ALA H . . 4.650 3.124 3.080 3.162 . 0 0 "[ . 1 . 2]" 1
786 1 73 ILE MD 1 77 ALA H . . 4.510 4.110 3.800 4.196 . 0 0 "[ . 1 . 2]" 1
787 1 77 ALA H 1 78 LEU H . . 3.630 2.770 2.564 2.899 . 0 0 "[ . 1 . 2]" 1
788 1 77 ALA H 1 79 LEU H . . 4.950 4.874 4.668 4.968 0.018 20 0 "[ . 1 . 2]" 1
789 1 78 LEU H 1 78 LEU HB2 . . 3.720 2.738 2.431 3.184 . 0 0 "[ . 1 . 2]" 1
790 1 77 ALA MB 1 78 LEU H . . 3.990 3.662 3.602 3.690 . 0 0 "[ . 1 . 2]" 1
791 1 78 LEU H 1 78 LEU HB3 . . 3.720 2.656 2.318 2.863 . 0 0 "[ . 1 . 2]" 1
792 1 73 ILE MD 1 78 LEU H . . 4.090 4.023 3.673 4.115 0.025 12 0 "[ . 1 . 2]" 1
793 1 78 LEU H 1 79 LEU H . . 3.370 2.157 1.960 2.377 . 0 0 "[ . 1 . 2]" 1
794 1 79 LEU H 1 80 ARG H . . 4.930 4.350 4.346 4.353 . 0 0 "[ . 1 . 2]" 1
795 1 77 ALA HA 1 79 LEU H . . 4.980 4.168 4.047 4.289 . 0 0 "[ . 1 . 2]" 1
796 1 79 LEU H 1 79 LEU HB3 . . 3.610 3.515 3.496 3.528 . 0 0 "[ . 1 . 2]" 1
797 1 79 LEU H 1 79 LEU HB2 . . 3.810 2.219 2.185 2.244 . 0 0 "[ . 1 . 2]" 1
798 1 79 LEU H 1 79 LEU HG . . 3.870 3.855 3.826 3.888 0.018 7 0 "[ . 1 . 2]" 1
799 1 24 VAL HA 1 25 THR H . . 3.370 2.177 2.141 2.224 . 0 0 "[ . 1 . 2]" 1
800 1 25 THR H 1 118 VAL HB . . 4.520 2.975 2.700 3.170 . 0 0 "[ . 1 . 2]" 1
801 1 25 THR H 1 26 ILE MD . . 3.630 3.358 3.141 3.492 . 0 0 "[ . 1 . 2]" 1
802 1 81 ALA H 1 82 LYS H . . 3.800 2.556 2.539 2.658 . 0 0 "[ . 1 . 2]" 1
803 1 80 ARG H 1 81 ALA H . . 4.780 4.608 4.579 4.642 . 0 0 "[ . 1 . 2]" 1
804 1 80 ARG HA 1 81 ALA H . . 3.020 2.506 2.380 2.560 . 0 0 "[ . 1 . 2]" 1
805 1 80 ARG HB2 1 81 ALA H . . 4.910 3.556 2.247 3.976 . 0 0 "[ . 1 . 2]" 1
806 1 80 ARG HB3 1 81 ALA H . . 4.910 2.727 2.093 3.757 . 0 0 "[ . 1 . 2]" 1
807 1 81 ALA H 1 81 ALA MB . . 2.970 2.055 2.032 2.068 . 0 0 "[ . 1 . 2]" 1
808 1 82 LYS H 1 82 LYS HB2 . . 4.070 2.253 2.093 2.586 . 0 0 "[ . 1 . 2]" 1
809 1 82 LYS H 1 82 LYS HB3 . . 4.070 3.208 2.479 3.596 . 0 0 "[ . 1 . 2]" 1
810 1 82 LYS H 1 82 LYS HG2 . . 4.510 3.706 2.163 4.617 0.107 2 0 "[ . 1 . 2]" 1
811 1 82 LYS H 1 82 LYS HG3 . . 4.510 4.027 2.838 4.499 . 0 0 "[ . 1 . 2]" 1
812 1 82 LYS H 1 83 GLU H . . 3.500 2.815 2.809 2.818 . 0 0 "[ . 1 . 2]" 1
813 1 83 GLU H 1 86 TYR HB3 . . 4.890 4.695 4.658 4.723 . 0 0 "[ . 1 . 2]" 1
814 1 81 ALA HA 1 83 GLU H . . 3.920 3.732 3.718 3.743 . 0 0 "[ . 1 . 2]" 1
815 1 83 GLU H 1 83 GLU HB2 . . 4.170 2.476 2.249 2.674 . 0 0 "[ . 1 . 2]" 1
816 1 82 LYS HB2 1 83 GLU H . . 4.430 3.459 2.945 4.132 . 0 0 "[ . 1 . 2]" 1
817 1 83 GLU H 1 83 GLU HB3 . . 4.170 3.320 2.648 3.621 . 0 0 "[ . 1 . 2]" 1
818 1 82 LYS HB3 1 83 GLU H . . 4.430 3.272 2.926 3.842 . 0 0 "[ . 1 . 2]" 1
819 1 85 ARG H 1 86 TYR H . . 4.480 2.880 2.876 2.887 . 0 0 "[ . 1 . 2]" 1
820 1 99 GLU H 1 100 VAL H . . 3.500 2.988 2.848 3.044 . 0 0 "[ . 1 . 2]" 1
821 1 100 VAL H 1 100 VAL HB . . 3.760 3.609 3.606 3.612 . 0 0 "[ . 1 . 2]" 1
822 1 100 VAL H 1 100 VAL MG2 . . 3.560 1.904 1.872 1.987 . 0 0 "[ . 1 . 2]" 1
823 1 86 TYR H 1 87 ALA H . . 3.520 2.939 2.879 2.959 . 0 0 "[ . 1 . 2]" 1
824 1 86 TYR H 1 86 TYR HB2 . . 3.570 2.980 2.948 3.005 . 0 0 "[ . 1 . 2]" 1
825 1 86 TYR H 1 86 TYR HB3 . . 3.720 2.171 2.158 2.191 . 0 0 "[ . 1 . 2]" 1
826 1 85 ARG HG2 1 86 TYR H . . 5.500 4.658 4.073 5.061 . 0 0 "[ . 1 . 2]" 1
827 1 85 ARG HG3 1 86 TYR H . . 5.500 4.783 4.408 5.002 . 0 0 "[ . 1 . 2]" 1
828 1 86 TYR H 1 87 ALA MB . . 5.500 4.577 4.483 4.628 . 0 0 "[ . 1 . 2]" 1
829 1 85 ARG H 1 87 ALA H . . 4.930 4.539 4.402 4.584 . 0 0 "[ . 1 . 2]" 1
830 1 84 ALA HA 1 87 ALA H . . 4.710 3.532 3.478 3.552 . 0 0 "[ . 1 . 2]" 1
831 1 86 TYR HB2 1 87 ALA H . . 4.340 3.963 3.936 4.055 . 0 0 "[ . 1 . 2]" 1
832 1 84 ALA MB 1 87 ALA H . . 4.930 4.637 4.537 4.666 . 0 0 "[ . 1 . 2]" 1
833 1 88 GLU H 1 89 LEU H . . 3.560 2.721 2.625 2.776 . 0 0 "[ . 1 . 2]" 1
834 1 87 ALA H 1 88 GLU H . . 3.400 2.542 2.505 2.559 . 0 0 "[ . 1 . 2]" 1
835 1 88 GLU H 1 88 GLU HG2 . . 3.880 2.914 2.533 3.714 . 0 0 "[ . 1 . 2]" 1
836 1 88 GLU H 1 88 GLU HB2 . . 3.770 2.264 2.178 2.324 . 0 0 "[ . 1 . 2]" 1
837 1 87 ALA MB 1 88 GLU H . . 3.200 2.744 2.635 2.848 . 0 0 "[ . 1 . 2]" 1
838 1 88 GLU HB2 1 89 LEU H . . 4.170 2.788 2.703 2.949 . 0 0 "[ . 1 . 2]" 1
839 1 89 LEU H 1 89 LEU HB2 . . 3.180 2.268 2.249 2.302 . 0 0 "[ . 1 . 2]" 1
840 1 89 LEU H 1 89 LEU HB3 . . 3.780 3.544 3.534 3.560 . 0 0 "[ . 1 . 2]" 1
841 1 88 GLU H 1 90 GLY H . . 4.490 3.888 3.865 3.911 . 0 0 "[ . 1 . 2]" 1
842 1 89 LEU H 1 90 GLY H . . 3.450 2.534 2.481 2.554 . 0 0 "[ . 1 . 2]" 1
843 1 90 GLY H 1 91 LEU H . . 3.560 2.413 2.409 2.418 . 0 0 "[ . 1 . 2]" 1
844 1 87 ALA HA 1 90 GLY H . . 3.920 3.359 3.269 3.427 . 0 0 "[ . 1 . 2]" 1
845 1 89 LEU HB2 1 90 GLY H . . 3.940 3.391 3.342 3.422 . 0 0 "[ . 1 . 2]" 1
846 1 89 LEU HB3 1 90 GLY H . . 4.870 4.015 4.001 4.035 . 0 0 "[ . 1 . 2]" 1
847 1 89 LEU MD1 1 90 GLY H . . 5.500 4.775 4.751 4.837 . 0 0 "[ . 1 . 2]" 1
848 1 89 LEU MD2 1 90 GLY H . . 5.500 5.155 5.111 5.181 . 0 0 "[ . 1 . 2]" 1
849 1 89 LEU HB2 1 91 LEU H . . 4.440 3.149 3.087 3.176 . 0 0 "[ . 1 . 2]" 1
850 1 91 LEU H 1 91 LEU HB3 . . 3.700 3.508 3.503 3.511 . 0 0 "[ . 1 . 2]" 1
851 1 91 LEU H 1 91 LEU HB2 . . 3.610 2.205 2.196 2.210 . 0 0 "[ . 1 . 2]" 1
852 1 90 GLY H 1 92 ASP H . . 4.790 4.040 3.937 4.093 . 0 0 "[ . 1 . 2]" 1
853 1 91 LEU H 1 92 ASP H . . 3.210 2.670 2.634 2.697 . 0 0 "[ . 1 . 2]" 1
854 1 86 TYR HE2 1 92 ASP H . . 4.800 4.835 4.756 4.920 0.120 20 0 "[ . 1 . 2]" 1
855 1 92 ASP H 1 92 ASP HB2 . . 3.950 2.953 2.072 3.565 . 0 0 "[ . 1 . 2]" 1
856 1 91 LEU HB3 1 92 ASP H . . 4.180 3.587 3.466 3.812 . 0 0 "[ . 1 . 2]" 1
857 1 91 LEU MD1 1 92 ASP H . . 5.490 4.790 4.741 4.887 . 0 0 "[ . 1 . 2]" 1
858 1 91 LEU MD2 1 92 ASP H . . 5.500 4.126 4.102 4.145 . 0 0 "[ . 1 . 2]" 1
859 1 91 LEU HB2 1 92 ASP H . . 4.230 3.051 2.921 3.301 . 0 0 "[ . 1 . 2]" 1
860 1 92 ASP H 1 93 ASP H . . 3.270 2.701 2.599 2.768 . 0 0 "[ . 1 . 2]" 1
861 1 91 LEU HA 1 93 ASP H . . 4.090 3.606 3.294 3.706 . 0 0 "[ . 1 . 2]" 1
862 1 93 ASP HA 1 95 ALA H . . 4.730 3.548 3.458 3.805 . 0 0 "[ . 1 . 2]" 1
863 1 94 PRO HA 1 95 ALA H . . 3.500 3.416 3.384 3.527 0.027 13 0 "[ . 1 . 2]" 1
864 1 94 PRO HG2 1 95 ALA H . . 3.940 2.907 2.345 3.052 . 0 0 "[ . 1 . 2]" 1
865 1 95 ALA H 1 95 ALA MB . . 2.870 2.207 2.027 2.522 . 0 0 "[ . 1 . 2]" 1
866 1 95 ALA H 1 96 LEU H . . 3.240 2.530 2.357 2.813 . 0 0 "[ . 1 . 2]" 1
867 1 94 PRO HA 1 96 LEU H . . 4.460 3.707 3.386 4.079 . 0 0 "[ . 1 . 2]" 1
868 1 93 ASP HB2 1 96 LEU H . . 4.530 4.047 3.670 4.560 0.030 14 0 "[ . 1 . 2]" 1
869 1 94 PRO HG2 1 96 LEU H . . 5.500 5.210 4.877 5.359 . 0 0 "[ . 1 . 2]" 1
870 1 96 LEU H 1 96 LEU HB2 . . 3.810 2.490 2.314 3.570 . 0 0 "[ . 1 . 2]" 1
871 1 96 LEU H 1 96 LEU HB3 . . 3.810 3.498 2.710 3.670 . 0 0 "[ . 1 . 2]" 1
872 1 97 SER H 1 98 ASP H . . 4.510 4.426 4.408 4.447 . 0 0 "[ . 1 . 2]" 1
873 1 96 LEU H 1 97 SER H . . 4.930 4.522 4.427 4.590 . 0 0 "[ . 1 . 2]" 1
874 1 97 SER H 1 97 SER HB2 . . 3.700 2.644 2.556 2.722 . 0 0 "[ . 1 . 2]" 1
875 1 96 LEU HA 1 97 SER H . . 2.900 2.626 2.574 2.641 . 0 0 "[ . 1 . 2]" 1
876 1 97 SER H 1 97 SER HB3 . . 3.700 3.679 3.639 3.762 0.062 20 0 "[ . 1 . 2]" 1
877 1 97 SER H 1 100 VAL HB . . 4.870 4.638 4.582 4.708 . 0 0 "[ . 1 . 2]" 1
878 1 97 SER HA 1 98 ASP H . . 2.870 2.438 2.264 2.461 . 0 0 "[ . 1 . 2]" 1
879 1 97 SER HB3 1 98 ASP H . . 3.980 2.430 2.366 2.816 . 0 0 "[ . 1 . 2]" 1
880 1 98 ASP H 1 98 ASP HB2 . . 3.720 3.071 2.182 3.591 . 0 0 "[ . 1 . 2]" 1
881 1 98 ASP H 1 98 ASP HB3 . . 3.720 2.968 2.294 3.591 . 0 0 "[ . 1 . 2]" 1
882 1 98 ASP H 1 101 LEU HB2 . . 4.620 4.396 4.328 4.509 . 0 0 "[ . 1 . 2]" 1
883 1 98 ASP H 1 101 LEU HG . . 5.500 5.500 5.394 5.560 0.060 18 0 "[ . 1 . 2]" 1
884 1 98 ASP H 1 99 GLU H . . 3.630 2.712 2.636 2.749 . 0 0 "[ . 1 . 2]" 1
885 1 97 SER HB2 1 99 GLU H . . 3.720 3.505 3.425 3.683 . 0 0 "[ . 1 . 2]" 1
886 1 98 ASP HB2 1 99 GLU H . . 4.330 3.456 2.788 4.076 . 0 0 "[ . 1 . 2]" 1
887 1 98 ASP HB3 1 99 GLU H . . 4.330 3.898 3.499 4.054 . 0 0 "[ . 1 . 2]" 1
888 1 99 GLU H 1 100 VAL MG1 . . 4.930 4.760 4.666 4.849 . 0 0 "[ . 1 . 2]" 1
889 1 99 GLU H 1 102 ILE MD . . 4.630 4.011 3.880 4.324 . 0 0 "[ . 1 . 2]" 1
890 1 101 LEU H 1 102 ILE H . . 3.660 2.832 2.794 2.848 . 0 0 "[ . 1 . 2]" 1
891 1 100 VAL H 1 101 LEU H . . 3.570 2.640 2.495 2.712 . 0 0 "[ . 1 . 2]" 1
892 1 98 ASP HA 1 101 LEU H . . 4.860 3.449 3.260 3.574 . 0 0 "[ . 1 . 2]" 1
893 1 100 VAL HB 1 101 LEU H . . 3.710 3.686 3.640 3.748 0.038 18 0 "[ . 1 . 2]" 1
894 1 101 LEU H 1 101 LEU HB2 . . 3.160 2.081 2.052 2.112 . 0 0 "[ . 1 . 2]" 1
895 1 101 LEU H 1 101 LEU HB3 . . 3.690 3.393 3.334 3.435 . 0 0 "[ . 1 . 2]" 1
896 1 102 ILE H 1 103 ASP H . . 4.150 2.773 2.703 2.808 . 0 0 "[ . 1 . 2]" 1
897 1 100 VAL HA 1 102 ILE H . . 4.760 4.641 4.610 4.679 . 0 0 "[ . 1 . 2]" 1
898 1 101 LEU HB2 1 102 ILE H . . 3.480 2.791 2.715 2.880 . 0 0 "[ . 1 . 2]" 1
899 1 102 ILE H 1 102 ILE HG13 . . 4.250 2.129 2.015 2.226 . 0 0 "[ . 1 . 2]" 1
900 1 103 ASP H 1 104 ALA H . . 3.430 2.806 2.777 2.820 . 0 0 "[ . 1 . 2]" 1
901 1 100 VAL HA 1 103 ASP H . . 4.000 3.687 3.660 3.758 . 0 0 "[ . 1 . 2]" 1
902 1 102 ILE HB 1 103 ASP H . . 3.750 2.334 2.307 2.365 . 0 0 "[ . 1 . 2]" 1
903 1 102 ILE MG 1 103 ASP H . . 3.790 3.226 3.180 3.269 . 0 0 "[ . 1 . 2]" 1
904 1 104 ALA H 1 105 MET H . . 3.530 2.588 2.558 2.642 . 0 0 "[ . 1 . 2]" 1
905 1 104 ALA H 1 106 ILE H . . 4.770 4.204 4.122 4.241 . 0 0 "[ . 1 . 2]" 1
906 1 101 LEU HA 1 104 ALA H . . 3.940 3.806 3.747 3.899 . 0 0 "[ . 1 . 2]" 1
907 1 104 ALA H 1 105 MET HB2 . . 4.860 4.671 4.563 4.894 0.034 4 0 "[ . 1 . 2]" 1
908 1 104 ALA H 1 106 ILE HG12 . . 5.500 5.284 5.195 5.333 . 0 0 "[ . 1 . 2]" 1
909 1 104 ALA H 1 104 ALA MB . . 2.990 2.173 2.051 2.246 . 0 0 "[ . 1 . 2]" 1
910 1 102 ILE MG 1 104 ALA H . . 4.750 4.754 4.718 4.772 0.022 18 0 "[ . 1 . 2]" 1
911 1 101 LEU HB3 1 104 ALA H . . 5.500 5.397 5.336 5.495 . 0 0 "[ . 1 . 2]" 1
912 1 105 MET H 1 106 ILE H . . 3.490 2.745 2.690 2.808 . 0 0 "[ . 1 . 2]" 1
913 1 105 MET H 1 105 MET HG3 . . 4.470 4.272 4.110 4.411 . 0 0 "[ . 1 . 2]" 1
914 1 105 MET H 1 105 MET HB2 . . 3.880 2.269 2.190 2.445 . 0 0 "[ . 1 . 2]" 1
915 1 104 ALA MB 1 105 MET H . . 3.450 2.521 2.412 2.682 . 0 0 "[ . 1 . 2]" 1
916 1 102 ILE MG 1 105 MET H . . 4.570 4.475 4.366 4.538 . 0 0 "[ . 1 . 2]" 1
917 1 106 ILE H 1 107 SER HA . . 5.370 5.304 5.261 5.380 0.010 12 0 "[ . 1 . 2]" 1
918 1 106 ILE H 1 106 ILE HG13 . . 3.990 3.601 3.549 3.627 . 0 0 "[ . 1 . 2]" 1
919 1 106 ILE H 1 106 ILE MG . . 3.860 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
920 1 106 ILE H 1 107 SER H . . 3.450 2.697 2.646 2.786 . 0 0 "[ . 1 . 2]" 1
921 1 104 ALA HA 1 107 SER H . . 3.890 3.603 3.507 3.714 . 0 0 "[ . 1 . 2]" 1
922 1 105 MET HB3 1 107 SER H . . 5.450 4.679 4.592 4.888 . 0 0 "[ . 1 . 2]" 1
923 1 106 ILE HG12 1 107 SER H . . 5.500 4.346 4.254 4.410 . 0 0 "[ . 1 . 2]" 1
924 1 106 ILE HG13 1 107 SER H . . 5.500 5.225 4.979 5.329 . 0 0 "[ . 1 . 2]" 1
925 1 107 SER H 1 108 ASN H . . 3.420 2.298 2.161 2.455 . 0 0 "[ . 1 . 2]" 1
926 1 104 ALA HA 1 108 ASN H . . 4.430 4.294 4.149 4.369 . 0 0 "[ . 1 . 2]" 1
927 1 107 SER HB2 1 108 ASN H . . 4.500 3.607 2.785 4.216 . 0 0 "[ . 1 . 2]" 1
928 1 107 SER HB3 1 108 ASN H . . 4.500 3.229 2.771 4.024 . 0 0 "[ . 1 . 2]" 1
929 1 110 VAL H 1 111 LEU H . . 4.010 2.633 2.620 2.647 . 0 0 "[ . 1 . 2]" 1
930 1 111 LEU H 1 112 MET H . . 3.930 2.593 2.550 2.638 . 0 0 "[ . 1 . 2]" 1
931 1 110 VAL MG2 1 111 LEU H . . 4.380 3.083 2.246 4.026 . 0 0 "[ . 1 . 2]" 1
932 1 113 ASN H 1 113 ASN HB2 . . 4.080 3.299 2.300 3.721 . 0 0 "[ . 1 . 2]" 1
933 1 113 ASN H 1 113 ASN HB3 . . 4.080 2.932 2.320 3.684 . 0 0 "[ . 1 . 2]" 1
934 1 118 VAL H 1 118 VAL HB . . 3.870 2.631 2.569 2.679 . 0 0 "[ . 1 . 2]" 1
935 1 26 ILE MG 1 118 VAL H . . 4.540 4.044 3.594 4.691 0.151 15 0 "[ . 1 . 2]" 1
936 1 26 ILE MD 1 118 VAL H . . 3.600 2.645 2.387 2.888 . 0 0 "[ . 1 . 2]" 1
937 1 113 ASN H 1 114 ARG H . . 4.980 2.215 2.111 2.252 . 0 0 "[ . 1 . 2]" 1
938 1 116 VAL H 1 116 VAL HB . . 3.920 2.670 2.603 2.712 . 0 0 "[ . 1 . 2]" 1
939 1 27 TYR H 1 116 VAL H . . 4.780 3.106 2.851 3.454 . 0 0 "[ . 1 . 2]" 1
940 1 117 VAL H 1 126 CYS H . . 4.100 2.690 2.332 3.118 . 0 0 "[ . 1 . 2]" 1
941 1 117 VAL H 1 124 ARG HA . . 4.960 4.852 4.538 5.025 0.065 15 0 "[ . 1 . 2]" 1
942 1 26 ILE MG 1 117 VAL H . . 4.400 4.130 3.879 4.470 0.070 12 0 "[ . 1 . 2]" 1
943 1 121 LYS H 1 121 LYS HG3 . . 5.040 3.567 2.443 4.617 . 0 0 "[ . 1 . 2]" 1
944 1 119 THR H 1 122 GLY H . . 3.850 3.703 3.610 3.774 . 0 0 "[ . 1 . 2]" 1
945 1 121 LYS H 1 122 GLY H . . 3.170 2.117 2.093 2.145 . 0 0 "[ . 1 . 2]" 1
946 1 121 LYS HB2 1 122 GLY H . . 4.550 3.876 3.543 4.253 . 0 0 "[ . 1 . 2]" 1
947 1 121 LYS HB3 1 122 GLY H . . 4.550 4.039 3.590 4.505 . 0 0 "[ . 1 . 2]" 1
948 1 122 GLY H 1 135 LEU MD1 . . 4.160 4.166 4.055 4.190 0.030 18 0 "[ . 1 . 2]" 1
949 1 123 VAL H 1 124 ARG H . . 4.740 4.441 4.330 4.508 . 0 0 "[ . 1 . 2]" 1
950 1 122 GLY HA2 1 123 VAL H . . 3.230 2.479 2.417 2.678 . 0 0 "[ . 1 . 2]" 1
951 1 122 GLY HA3 1 123 VAL H . . 3.230 2.653 2.454 2.722 . 0 0 "[ . 1 . 2]" 1
952 1 123 VAL H 1 123 VAL HB . . 3.830 3.035 2.616 3.833 0.003 17 0 "[ . 1 . 2]" 1
953 1 123 VAL H 1 135 LEU MD1 . . 4.640 3.798 3.121 4.294 . 0 0 "[ . 1 . 2]" 1
954 1 123 VAL H 1 135 LEU MD2 . . 4.970 4.083 3.387 4.725 . 0 0 "[ . 1 . 2]" 1
955 1 117 VAL H 1 124 ARG H . . 3.760 3.502 3.153 3.771 0.011 15 0 "[ . 1 . 2]" 1
956 1 123 VAL HA 1 124 ARG H . . 3.350 2.237 2.195 2.263 . 0 0 "[ . 1 . 2]" 1
957 1 123 VAL MG2 1 124 ARG H . . 4.140 3.144 2.121 4.013 . 0 0 "[ . 1 . 2]" 1
958 1 116 VAL MG1 1 126 CYS H . . 5.150 3.806 3.583 4.036 . 0 0 "[ . 1 . 2]" 1
959 1 116 VAL MG2 1 126 CYS H . . 5.150 3.601 3.395 3.730 . 0 0 "[ . 1 . 2]" 1
960 1 26 ILE MG 1 126 CYS H . . 4.630 4.439 4.319 4.606 . 0 0 "[ . 1 . 2]" 1
961 1 126 CYS H 1 127 ARG H . . 4.810 2.577 2.548 2.613 . 0 0 "[ . 1 . 2]" 1
962 1 130 GLU H 1 131 THR H . . 3.840 2.612 2.524 2.725 . 0 0 "[ . 1 . 2]" 1
963 1 130 GLU H 1 130 GLU HG2 . . 3.930 3.370 1.956 3.927 . 0 0 "[ . 1 . 2]" 1
964 1 128 PRO HB2 1 130 GLU H . . 4.450 2.374 2.332 2.442 . 0 0 "[ . 1 . 2]" 1
965 1 130 GLU H 1 130 GLU HG3 . . 3.930 3.056 2.141 3.931 0.001 16 0 "[ . 1 . 2]" 1
966 1 128 PRO HG3 1 130 GLU H . . 5.050 4.225 4.163 4.278 . 0 0 "[ . 1 . 2]" 1
967 1 129 ALA MB 1 130 GLU H . . 3.460 2.959 2.832 3.054 . 0 0 "[ . 1 . 2]" 1
968 1 131 THR H 1 132 VAL H . . 3.800 2.683 2.555 2.835 . 0 0 "[ . 1 . 2]" 1
969 1 132 VAL H 1 132 VAL HB . . 3.370 2.529 2.488 2.586 . 0 0 "[ . 1 . 2]" 1
970 1 132 VAL H 1 133 GLN H . . 3.510 2.641 2.594 2.681 . 0 0 "[ . 1 . 2]" 1
971 1 131 THR HA 1 133 GLN H . . 4.670 4.395 4.297 4.526 . 0 0 "[ . 1 . 2]" 1
972 1 133 GLN H 1 133 GLN HG3 . . 3.760 3.434 3.033 3.755 . 0 0 "[ . 1 . 2]" 1
973 1 133 GLN H 1 133 GLN HB2 . . 4.130 2.813 2.144 3.591 . 0 0 "[ . 1 . 2]" 1
974 1 133 GLN H 1 133 GLN HB3 . . 4.130 3.002 2.394 3.526 . 0 0 "[ . 1 . 2]" 1
975 1 132 VAL MG1 1 133 GLN H . . 3.500 2.061 1.954 2.156 . 0 0 "[ . 1 . 2]" 1
976 1 134 GLU H 1 135 LEU H . . 3.190 2.462 2.334 2.548 . 0 0 "[ . 1 . 2]" 1
977 1 132 VAL HA 1 134 GLU H . . 5.060 4.080 3.931 4.271 . 0 0 "[ . 1 . 2]" 1
978 1 134 GLU H 1 134 GLU HB3 . . 3.760 3.506 3.447 3.578 . 0 0 "[ . 1 . 2]" 1
979 1 132 VAL MG2 1 134 GLU H . . 5.500 4.909 4.776 5.093 . 0 0 "[ . 1 . 2]" 1
980 1 132 VAL MG1 1 134 GLU H . . 5.500 4.122 3.988 4.263 . 0 0 "[ . 1 . 2]" 1
981 1 135 LEU H 1 135 LEU HB2 . . 3.750 2.885 2.770 3.004 . 0 0 "[ . 1 . 2]" 1
982 1 135 LEU H 1 136 LEU HB3 . . 4.880 4.766 4.541 4.893 0.013 7 0 "[ . 1 . 2]" 1
983 1 132 VAL MG2 1 135 LEU H . . 4.860 4.660 4.490 4.801 . 0 0 "[ . 1 . 2]" 1
984 1 135 LEU H 1 135 LEU HG . . 4.380 4.190 4.053 4.322 . 0 0 "[ . 1 . 2]" 1
985 1 135 LEU H 1 136 LEU H . . 3.120 2.544 2.474 2.570 . 0 0 "[ . 1 . 2]" 1
986 1 134 GLU H 1 136 LEU H . . 4.590 3.903 3.781 4.024 . 0 0 "[ . 1 . 2]" 1
987 1 132 VAL HA 1 136 LEU H . . 4.770 3.931 3.760 4.029 . 0 0 "[ . 1 . 2]" 1
988 1 135 LEU HB3 1 136 LEU H . . 3.500 2.804 2.716 2.876 . 0 0 "[ . 1 . 2]" 1
989 1 136 LEU H 1 136 LEU HB2 . . 3.380 2.966 2.809 3.162 . 0 0 "[ . 1 . 2]" 1
990 1 136 LEU H 1 136 LEU HB3 . . 3.720 2.414 2.276 2.502 . 0 0 "[ . 1 . 2]" 1
991 1 132 VAL MG2 1 136 LEU H . . 4.910 3.906 3.741 4.020 . 0 0 "[ . 1 . 2]" 1
992 1 135 LEU HG 1 136 LEU H . . 3.570 3.293 3.087 3.551 . 0 0 "[ . 1 . 2]" 1
993 1 134 GLU HB2 1 136 LEU H . . 5.480 5.093 5.013 5.188 . 0 0 "[ . 1 . 2]" 1
994 1 134 GLU HB3 1 136 LEU H . . 5.480 5.414 5.291 5.491 0.011 10 0 "[ . 1 . 2]" 1
995 1 51 VAL HA 1 52 ILE H . . 3.240 2.143 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
996 1 52 ILE H 1 52 ILE HB . . 3.860 2.642 2.517 2.691 . 0 0 "[ . 1 . 2]" 1
997 1 25 THR MG 1 52 ILE H . . 4.520 3.790 3.271 4.538 0.018 6 0 "[ . 1 . 2]" 1
998 1 26 ILE MD 1 27 TYR H . . 4.710 4.015 3.831 4.557 . 0 0 "[ . 1 . 2]" 1
999 1 54 TYR H 1 54 TYR HB2 . . 4.150 3.107 2.413 3.902 . 0 0 "[ . 1 . 2]" 1
1000 1 54 TYR H 1 54 TYR HB3 . . 4.150 2.961 2.350 3.724 . 0 0 "[ . 1 . 2]" 1
1001 1 52 ILE MG 1 54 TYR H . . 4.150 3.719 3.358 4.174 0.024 17 0 "[ . 1 . 2]" 1
1002 1 12 LEU H 1 12 LEU QB . . 3.670 2.829 2.367 3.398 . 0 0 "[ . 1 . 2]" 1
1003 1 12 LEU QB 1 13 GLU H . . 4.010 2.653 1.949 3.998 . 0 0 "[ . 1 . 2]" 1
1004 1 15 GLN H 1 15 GLN QG . . 4.570 3.313 1.940 4.449 . 0 0 "[ . 1 . 2]" 1
1005 1 18 GLY QA 1 19 PRO QD . . 2.560 1.983 1.949 2.034 . 0 0 "[ . 1 . 2]" 1
1006 1 19 PRO QB 1 20 GLY H . . 4.080 2.528 2.045 3.914 . 0 0 "[ . 1 . 2]" 1
1007 1 21 SER H 1 22 MET QB . . 4.350 4.284 3.906 4.460 0.110 12 0 "[ . 1 . 2]" 1
1008 1 22 MET H 1 22 MET QB . . 3.360 2.541 2.145 2.908 . 0 0 "[ . 1 . 2]" 1
1009 1 22 MET H 1 22 MET QG . . 4.750 2.446 1.932 3.566 . 0 0 "[ . 1 . 2]" 1
1010 1 22 MET QB 1 47 ILE MG . . 3.770 2.716 1.926 3.776 0.006 11 0 "[ . 1 . 2]" 1
1011 1 23 ASP H 1 24 VAL QG . . 4.210 2.889 2.641 3.599 . 0 0 "[ . 1 . 2]" 1
1012 1 23 ASP HA 1 24 VAL QG . . 4.610 4.068 3.774 4.217 . 0 0 "[ . 1 . 2]" 1
1013 1 24 VAL H 1 24 VAL QG . . 3.370 2.471 1.935 2.884 . 0 0 "[ . 1 . 2]" 1
1014 1 24 VAL QG 1 25 THR H . . 4.040 2.647 2.034 3.533 . 0 0 "[ . 1 . 2]" 1
1015 1 24 VAL QG 1 25 THR HA . . 4.330 3.692 3.333 4.013 . 0 0 "[ . 1 . 2]" 1
1016 1 24 VAL QG 1 47 ILE MG . . 2.730 2.109 1.804 2.654 . 0 0 "[ . 1 . 2]" 1
1017 1 24 VAL QG 1 50 HIS H . . 4.430 3.698 2.877 4.380 . 0 0 "[ . 1 . 2]" 1
1018 1 24 VAL QG 1 119 THR HA . . 4.120 2.168 1.897 2.650 . 0 0 "[ . 1 . 2]" 1
1019 1 24 VAL QG 1 119 THR HB . . 3.520 2.311 1.959 3.141 . 0 0 "[ . 1 . 2]" 1
1020 1 24 VAL QG 1 119 THR MG . . 3.770 2.313 1.667 2.726 . 0 0 "[ . 1 . 2]" 1
1021 1 24 VAL QG 1 120 PRO HD2 . . 4.910 2.311 1.928 3.394 . 0 0 "[ . 1 . 2]" 1
1022 1 25 THR HA 1 50 HIS QB . . 3.760 2.689 2.168 3.220 . 0 0 "[ . 1 . 2]" 1
1023 1 25 THR MG 1 50 HIS QB . . 4.020 2.342 1.880 2.736 . 0 0 "[ . 1 . 2]" 1
1024 1 26 ILE H 1 26 ILE QG . . 4.680 2.539 2.217 3.833 . 0 0 "[ . 1 . 2]" 1
1025 1 26 ILE HA 1 117 VAL QG . . 3.900 3.449 3.135 3.707 . 0 0 "[ . 1 . 2]" 1
1026 1 26 ILE QG 1 49 PRO HG2 . . 4.700 3.788 3.196 4.728 0.028 12 0 "[ . 1 . 2]" 1
1027 1 26 ILE QG 1 49 PRO HG3 . . 4.730 3.732 3.280 4.577 . 0 0 "[ . 1 . 2]" 1
1028 1 26 ILE MD 1 49 PRO QB . . 3.420 2.499 1.927 2.957 . 0 0 "[ . 1 . 2]" 1
1029 1 27 TYR QB 1 116 VAL H . . 4.710 3.041 2.857 3.293 . 0 0 "[ . 1 . 2]" 1
1030 1 27 TYR QB 1 116 VAL HB . . 4.630 2.681 2.348 2.908 . 0 0 "[ . 1 . 2]" 1
1031 1 27 TYR QB 1 116 VAL QG . . 4.050 3.383 3.101 3.568 . 0 0 "[ . 1 . 2]" 1
1032 1 27 TYR QD 1 116 VAL QG . . 3.880 3.055 2.840 3.333 . 0 0 "[ . 1 . 2]" 1
1033 1 30 PRO QG 1 31 VAL H . . 4.550 4.593 3.674 4.718 0.168 11 0 "[ . 1 . 2]" 1
1034 1 31 VAL H 1 31 VAL QG . . 3.040 2.250 1.904 2.975 . 0 0 "[ . 1 . 2]" 1
1035 1 31 VAL H 1 35 SER QB . . 5.020 2.500 1.897 4.139 . 0 0 "[ . 1 . 2]" 1
1036 1 31 VAL HA 1 31 VAL QG . . 2.940 2.209 1.972 2.376 . 0 0 "[ . 1 . 2]" 1
1037 1 31 VAL QG 1 32 CYS H . . 3.720 2.755 1.884 3.453 . 0 0 "[ . 1 . 2]" 1
1038 1 32 CYS H 1 32 CYS QB . . 3.590 2.418 2.083 2.567 . 0 0 "[ . 1 . 2]" 1
1039 1 34 THR H 1 35 SER QB . . 4.750 4.517 4.308 4.644 . 0 0 "[ . 1 . 2]" 1
1040 1 34 THR HA 1 37 LYS QB . . 3.920 2.713 2.209 2.998 . 0 0 "[ . 1 . 2]" 1
1041 1 34 THR HA 1 37 LYS QG . . 4.730 4.363 3.738 4.736 0.006 20 0 "[ . 1 . 2]" 1
1042 1 34 THR HB 1 38 VAL QG . . 4.520 3.976 3.418 4.537 0.017 13 0 "[ . 1 . 2]" 1
1043 1 34 THR MG 1 37 LYS QB . . 4.720 3.996 3.449 4.469 . 0 0 "[ . 1 . 2]" 1
1044 1 35 SER H 1 37 LYS QB . . 5.210 4.899 4.407 5.203 . 0 0 "[ . 1 . 2]" 1
1045 1 35 SER H 1 38 VAL QG . . 5.440 4.224 3.780 4.918 . 0 0 "[ . 1 . 2]" 1
1046 1 36 ARG H 1 36 ARG QB . . 3.670 2.289 2.047 2.572 . 0 0 "[ . 1 . 2]" 1
1047 1 36 ARG H 1 36 ARG QG . . 3.640 2.754 1.948 3.802 0.162 16 0 "[ . 1 . 2]" 1
1048 1 36 ARG H 1 36 ARG QD . . 4.880 4.065 3.535 4.735 . 0 0 "[ . 1 . 2]" 1
1049 1 36 ARG H 1 37 LYS QB . . 4.770 4.362 4.300 4.402 . 0 0 "[ . 1 . 2]" 1
1050 1 36 ARG HA 1 36 ARG QG . . 3.710 2.703 2.157 3.433 . 0 0 "[ . 1 . 2]" 1
1051 1 36 ARG HA 1 36 ARG QD . . 4.690 3.227 2.043 4.530 . 0 0 "[ . 1 . 2]" 1
1052 1 36 ARG HA 1 39 LEU QB . . 3.870 2.624 2.465 2.782 . 0 0 "[ . 1 . 2]" 1
1053 1 36 ARG QB 1 36 ARG QD . . 3.310 2.255 2.032 2.682 . 0 0 "[ . 1 . 2]" 1
1054 1 37 LYS H 1 37 LYS QB . . 3.360 2.242 2.147 2.259 . 0 0 "[ . 1 . 2]" 1
1055 1 37 LYS H 1 37 LYS QG . . 4.080 3.994 3.938 4.044 . 0 0 "[ . 1 . 2]" 1
1056 1 37 LYS H 1 38 VAL QG . . 4.440 3.819 3.379 4.361 . 0 0 "[ . 1 . 2]" 1
1057 1 37 LYS HA 1 37 LYS QD . . 4.490 3.182 1.991 4.206 . 0 0 "[ . 1 . 2]" 1
1058 1 37 LYS QB 1 129 ALA MB . . 3.830 3.244 2.427 3.958 0.128 10 0 "[ . 1 . 2]" 1
1059 1 37 LYS QG 1 38 VAL H . . 3.350 3.282 3.099 3.363 0.013 11 0 "[ . 1 . 2]" 1
1060 1 37 LYS QG 1 38 VAL HA . . 3.620 3.496 3.325 3.622 0.002 15 0 "[ . 1 . 2]" 1
1061 1 37 LYS QG 1 41 MET QG . . 4.340 3.053 2.819 3.373 . 0 0 "[ . 1 . 2]" 1
1062 1 37 LYS QE 1 129 ALA MB . . 4.750 3.321 1.943 4.430 . 0 0 "[ . 1 . 2]" 1
1063 1 38 VAL H 1 38 VAL QG . . 3.270 1.979 1.802 2.269 . 0 0 "[ . 1 . 2]" 1
1064 1 38 VAL HA 1 41 MET QB . . 3.640 2.973 2.693 3.262 . 0 0 "[ . 1 . 2]" 1
1065 1 38 VAL HA 1 41 MET QG . . 4.180 3.494 3.132 4.066 . 0 0 "[ . 1 . 2]" 1
1066 1 38 VAL QG 1 39 LEU H . . 3.570 2.396 1.874 3.091 . 0 0 "[ . 1 . 2]" 1
1067 1 38 VAL QG 1 39 LEU HA . . 3.380 3.272 3.034 3.446 0.066 16 0 "[ . 1 . 2]" 1
1068 1 38 VAL QG 1 39 LEU HG . . 4.270 3.426 2.467 4.148 . 0 0 "[ . 1 . 2]" 1
1069 1 38 VAL QG 1 39 LEU QD . . 3.790 2.944 1.858 3.800 0.010 16 0 "[ . 1 . 2]" 1
1070 1 38 VAL QG 1 132 VAL HB . . 3.250 3.176 2.954 3.335 0.085 10 0 "[ . 1 . 2]" 1
1071 1 38 VAL QG 1 132 VAL MG1 . . 4.050 2.235 1.794 2.585 . 0 0 "[ . 1 . 2]" 1
1072 1 39 LEU H 1 39 LEU QB . . 3.570 2.203 2.040 2.363 . 0 0 "[ . 1 . 2]" 1
1073 1 39 LEU H 1 39 LEU QD . . 4.150 3.100 2.430 3.405 . 0 0 "[ . 1 . 2]" 1
1074 1 39 LEU HA 1 39 LEU QD . . 3.220 2.057 1.881 2.158 . 0 0 "[ . 1 . 2]" 1
1075 1 39 LEU HA 1 43 ARG QD . . 5.340 4.095 3.063 5.349 0.009 3 0 "[ . 1 . 2]" 1
1076 1 39 LEU QB 1 40 GLY H . . 3.690 2.692 2.572 2.777 . 0 0 "[ . 1 . 2]" 1
1077 1 39 LEU QB 1 40 GLY QA . . 5.180 3.592 3.508 3.650 . 0 0 "[ . 1 . 2]" 1
1078 1 39 LEU QD 1 40 GLY H . . 4.780 4.108 3.922 4.215 . 0 0 "[ . 1 . 2]" 1
1079 1 39 LEU QD 1 43 ARG QD . . 4.400 3.010 2.145 4.107 . 0 0 "[ . 1 . 2]" 1
1080 1 39 LEU QD 1 48 GLU HA . . 5.440 5.083 4.475 5.470 0.030 16 0 "[ . 1 . 2]" 1
1081 1 39 LEU QD 1 49 PRO QB . . 4.110 4.009 3.460 4.184 0.074 10 0 "[ . 1 . 2]" 1
1082 1 39 LEU QD 1 49 PRO HD2 . . 4.190 3.801 3.360 4.106 . 0 0 "[ . 1 . 2]" 1
1083 1 40 GLY QA 1 43 ARG QG . . 4.720 3.817 2.024 4.769 0.049 3 0 "[ . 1 . 2]" 1
1084 1 40 GLY QA 1 43 ARG QD . . 4.240 3.039 2.237 4.079 . 0 0 "[ . 1 . 2]" 1
1085 1 41 MET H 1 41 MET QG . . 3.520 2.353 2.110 2.656 . 0 0 "[ . 1 . 2]" 1
1086 1 41 MET H 1 42 ILE QG . . 5.340 4.211 4.062 4.373 . 0 0 "[ . 1 . 2]" 1
1087 1 41 MET QB 1 42 ILE H . . 4.330 2.468 2.354 2.764 . 0 0 "[ . 1 . 2]" 1
1088 1 41 MET QG 1 129 ALA MB . . 5.340 3.038 2.138 3.814 . 0 0 "[ . 1 . 2]" 1
1089 1 41 MET QG 1 132 VAL MG1 . . 4.200 3.851 3.451 4.199 . 0 0 "[ . 1 . 2]" 1
1090 1 41 MET QG 1 133 GLN QE . . 4.050 3.574 2.454 4.047 . 0 0 "[ . 1 . 2]" 1
1091 1 41 MET ME 1 133 GLN QE . . 4.570 3.454 2.219 4.517 . 0 0 "[ . 1 . 2]" 1
1092 1 42 ILE H 1 42 ILE QG . . 3.690 2.011 1.909 2.299 . 0 0 "[ . 1 . 2]" 1
1093 1 42 ILE HA 1 42 ILE QG . . 3.670 2.471 2.389 2.498 . 0 0 "[ . 1 . 2]" 1
1094 1 42 ILE QG 1 49 PRO HG3 . . 4.360 3.763 3.284 4.132 . 0 0 "[ . 1 . 2]" 1
1095 1 42 ILE MD 1 49 PRO QB . . 3.720 3.065 2.233 3.618 . 0 0 "[ . 1 . 2]" 1
1096 1 43 ARG H 1 43 ARG QG . . 3.780 2.622 2.293 3.908 0.128 16 0 "[ . 1 . 2]" 1
1097 1 43 ARG QG 1 44 GLU H . . 4.530 3.845 2.119 4.519 . 0 0 "[ . 1 . 2]" 1
1098 1 44 GLU H 1 44 GLU QB . . 3.040 2.293 2.195 2.501 . 0 0 "[ . 1 . 2]" 1
1099 1 44 GLU HA 1 44 GLU QG . . 3.360 2.582 2.262 3.441 0.081 4 0 "[ . 1 . 2]" 1
1100 1 44 GLU QB 1 45 ALA H . . 3.780 2.949 2.694 3.605 . 0 0 "[ . 1 . 2]" 1
1101 1 45 ALA H 1 136 LEU QD . . 5.050 4.645 3.844 5.061 0.011 4 0 "[ . 1 . 2]" 1
1102 1 45 ALA MB 1 136 LEU QD . . 3.520 2.439 2.032 2.867 . 0 0 "[ . 1 . 2]" 1
1103 1 47 ILE H 1 47 ILE QG . . 3.800 2.849 2.475 3.240 . 0 0 "[ . 1 . 2]" 1
1104 1 47 ILE QG 1 47 ILE MG . . 3.190 2.283 2.194 2.360 . 0 0 "[ . 1 . 2]" 1
1105 1 48 GLU HA 1 49 PRO QB . . 5.090 4.729 4.679 4.773 . 0 0 "[ . 1 . 2]" 1
1106 1 49 PRO QB 1 50 HIS H . . 3.620 2.692 2.228 3.300 . 0 0 "[ . 1 . 2]" 1
1107 1 50 HIS H 1 50 HIS QB . . 3.420 2.344 2.239 2.432 . 0 0 "[ . 1 . 2]" 1
1108 1 50 HIS QB 1 52 ILE MD . . 4.430 3.084 2.658 3.562 . 0 0 "[ . 1 . 2]" 1
1109 1 51 VAL H 1 51 VAL QG . . 3.920 2.045 1.868 2.586 . 0 0 "[ . 1 . 2]" 1
1110 1 51 VAL HA 1 52 ILE QG . . 4.000 3.791 3.689 3.974 . 0 0 "[ . 1 . 2]" 1
1111 1 51 VAL QG 1 52 ILE H . . 4.240 3.197 2.577 3.605 . 0 0 "[ . 1 . 2]" 1
1112 1 52 ILE HA 1 52 ILE QG . . 3.430 2.519 2.378 2.925 . 0 0 "[ . 1 . 2]" 1
1113 1 52 ILE HA 1 53 GLU QB . . 4.640 4.376 3.995 4.547 . 0 0 "[ . 1 . 2]" 1
1114 1 52 ILE MG 1 54 TYR QB . . 3.620 2.762 2.393 3.229 . 0 0 "[ . 1 . 2]" 1
1115 1 52 ILE QG 1 53 GLU H . . 4.480 4.247 4.028 4.566 0.086 6 0 "[ . 1 . 2]" 1
1116 1 54 TYR H 1 54 TYR QB . . 3.540 2.637 2.238 2.979 . 0 0 "[ . 1 . 2]" 1
1117 1 57 THR H 1 58 PRO QB . . 5.340 4.985 4.415 5.582 0.242 2 0 "[ . 1 . 2]" 1
1118 1 57 THR HA 1 58 PRO QD . . 2.910 2.011 1.852 2.135 . 0 0 "[ . 1 . 2]" 1
1119 1 57 THR HB 1 58 PRO QD . . 4.820 4.161 3.609 4.375 . 0 0 "[ . 1 . 2]" 1
1120 1 57 THR MG 1 58 PRO QD . . 3.660 3.478 2.695 3.721 0.061 6 0 "[ . 1 . 2]" 1
1121 1 58 PRO QB 1 59 LEU H . . 3.750 2.951 2.033 3.642 . 0 0 "[ . 1 . 2]" 1
1122 1 59 LEU HA 1 60 PRO QG . . 4.520 4.018 3.793 4.067 . 0 0 "[ . 1 . 2]" 1
1123 1 59 LEU QB 1 60 PRO HD2 . . 4.140 2.072 1.929 3.584 . 0 0 "[ . 1 . 2]" 1
1124 1 59 LEU QB 1 60 PRO HD3 . . 4.210 3.366 3.129 4.329 0.119 8 0 "[ . 1 . 2]" 1
1125 1 59 LEU QB 1 64 LEU H . . 4.420 3.765 3.390 4.153 . 0 0 "[ . 1 . 2]" 1
1126 1 59 LEU QB 1 64 LEU HB2 . . 4.600 3.991 3.368 4.626 0.026 6 0 "[ . 1 . 2]" 1
1127 1 60 PRO QG 1 62 ASP QB . . 4.180 3.157 2.683 3.982 . 0 0 "[ . 1 . 2]" 1
1128 1 60 PRO QG 1 63 MET H . . 4.450 2.281 2.070 2.449 . 0 0 "[ . 1 . 2]" 1
1129 1 60 PRO HD2 1 63 MET QB . . 3.910 2.189 1.983 2.369 . 0 0 "[ . 1 . 2]" 1
1130 1 60 PRO HD2 1 63 MET QG . . 4.210 2.204 1.959 2.730 . 0 0 "[ . 1 . 2]" 1
1131 1 60 PRO HD3 1 63 MET QG . . 4.030 3.543 3.284 4.236 0.206 7 0 "[ . 1 . 2]" 1
1132 1 61 ARG H 1 61 ARG QG . . 3.570 2.021 1.907 3.299 . 0 0 "[ . 1 . 2]" 1
1133 1 61 ARG HA 1 61 ARG QG . . 3.560 3.343 3.332 3.432 . 0 0 "[ . 1 . 2]" 1
1134 1 61 ARG QB 1 61 ARG QD . . 3.190 2.186 1.999 2.768 . 0 0 "[ . 1 . 2]" 1
1135 1 61 ARG QB 1 62 ASP H . . 3.880 3.231 3.180 3.525 . 0 0 "[ . 1 . 2]" 1
1136 1 61 ARG QB 1 102 ILE MG . . 3.910 2.446 1.923 2.639 . 0 0 "[ . 1 . 2]" 1
1137 1 61 ARG QB 1 106 ILE HB . . 4.240 3.960 3.874 4.090 . 0 0 "[ . 1 . 2]" 1
1138 1 61 ARG QB 1 106 ILE MG . . 3.260 2.573 2.332 3.046 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ARG QB 1 106 ILE HG13 . . 3.070 1.975 1.881 2.063 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ARG QB 1 106 ILE MD . . 3.200 2.453 2.048 2.739 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ARG QG 1 62 ASP H . . 3.350 1.952 1.870 2.472 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ARG QG 1 102 ILE MG . . 3.690 3.618 2.587 3.803 0.113 14 0 "[ . 1 . 2]" 1
1143 1 61 ARG QG 1 106 ILE MD . . 5.340 4.145 3.749 4.344 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ARG QD 1 62 ASP H . . 4.870 3.721 1.918 4.075 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ARG QD 1 102 ILE MG . . 4.190 3.457 2.484 4.225 0.035 16 0 "[ . 1 . 2]" 1
1146 1 62 ASP H 1 62 ASP QB . . 3.110 2.341 2.205 2.697 . 0 0 "[ . 1 . 2]" 1
1147 1 62 ASP H 1 63 MET QB . . 4.990 4.643 4.443 4.754 . 0 0 "[ . 1 . 2]" 1
1148 1 62 ASP HA 1 65 VAL QG . . 3.350 2.093 1.919 3.382 0.032 16 0 "[ . 1 . 2]" 1
1149 1 63 MET H 1 63 MET QB . . 3.090 2.225 2.093 2.346 . 0 0 "[ . 1 . 2]" 1
1150 1 63 MET H 1 63 MET QG . . 4.200 2.767 2.426 4.013 . 0 0 "[ . 1 . 2]" 1
1151 1 63 MET QB 1 64 LEU H . . 3.660 2.681 2.542 2.812 . 0 0 "[ . 1 . 2]" 1
1152 1 63 MET ME 1 67 LEU QD . . 3.560 2.408 1.848 3.144 . 0 0 "[ . 1 . 2]" 1
1153 1 64 LEU H 1 64 LEU QD . . 3.830 3.639 3.544 3.694 . 0 0 "[ . 1 . 2]" 1
1154 1 64 LEU H 1 65 VAL QG . . 4.760 3.787 3.513 4.280 . 0 0 "[ . 1 . 2]" 1
1155 1 64 LEU HA 1 64 LEU QD . . 3.080 2.549 1.973 3.137 0.057 16 0 "[ . 1 . 2]" 1
1156 1 64 LEU HG 1 113 ASN QB . . 5.340 4.575 2.849 5.326 . 0 0 "[ . 1 . 2]" 1
1157 1 64 LEU QD 1 67 LEU H . . 4.890 4.746 4.492 4.920 0.030 7 0 "[ . 1 . 2]" 1
1158 1 64 LEU QD 1 68 LEU H . . 4.060 4.020 3.779 4.095 0.035 17 0 "[ . 1 . 2]" 1
1159 1 64 LEU QD 1 68 LEU HB3 . . 3.920 3.213 2.925 3.627 . 0 0 "[ . 1 . 2]" 1
1160 1 64 LEU QD 1 111 LEU HB2 . . 3.660 2.509 1.973 2.814 . 0 0 "[ . 1 . 2]" 1
1161 1 64 LEU QD 1 111 LEU HB3 . . 4.080 3.757 3.280 4.056 . 0 0 "[ . 1 . 2]" 1
1162 1 64 LEU QD 1 113 ASN QB . . 4.150 2.659 1.989 3.556 . 0 0 "[ . 1 . 2]" 1
1163 1 65 VAL H 1 65 VAL QG . . 2.940 2.069 1.886 2.298 . 0 0 "[ . 1 . 2]" 1
1164 1 65 VAL HA 1 65 VAL QG . . 2.870 2.215 2.087 2.363 . 0 0 "[ . 1 . 2]" 1
1165 1 65 VAL QG 1 66 GLU HA . . 4.310 3.261 2.979 3.636 . 0 0 "[ . 1 . 2]" 1
1166 1 65 VAL QG 1 69 ARG QD . . 4.310 2.536 2.252 2.831 . 0 0 "[ . 1 . 2]" 1
1167 1 65 VAL QG 1 102 ILE MG . . 3.070 2.188 1.765 2.736 . 0 0 "[ . 1 . 2]" 1
1168 1 65 VAL QG 1 102 ILE MD . . 2.880 1.776 1.678 1.898 . 0 0 "[ . 1 . 2]" 1
1169 1 66 GLU H 1 66 GLU QB . . 3.630 2.298 2.221 2.681 . 0 0 "[ . 1 . 2]" 1
1170 1 66 GLU HA 1 66 GLU QG . . 3.640 2.697 2.490 3.335 . 0 0 "[ . 1 . 2]" 1
1171 1 66 GLU QB 1 67 LEU H . . 3.660 2.891 2.696 3.514 . 0 0 "[ . 1 . 2]" 1
1172 1 66 GLU QB 1 69 ARG QD . . 4.340 3.447 3.182 3.854 . 0 0 "[ . 1 . 2]" 1
1173 1 66 GLU QB 1 70 GLN QE . . 4.760 3.534 2.030 4.011 . 0 0 "[ . 1 . 2]" 1
1174 1 66 GLU QG 1 68 LEU H . . 5.340 5.211 4.393 5.470 0.130 17 0 "[ . 1 . 2]" 1
1175 1 66 GLU QG 1 70 GLN QE . . 4.620 2.277 1.821 3.963 . 0 0 "[ . 1 . 2]" 1
1176 1 67 LEU H 1 67 LEU QB . . 3.230 2.161 2.082 2.243 . 0 0 "[ . 1 . 2]" 1
1177 1 67 LEU H 1 67 LEU QD . . 3.780 3.154 2.332 3.663 . 0 0 "[ . 1 . 2]" 1
1178 1 67 LEU HA 1 67 LEU QD . . 3.150 2.219 1.924 2.618 . 0 0 "[ . 1 . 2]" 1
1179 1 67 LEU QB 1 67 LEU QD . . 2.850 1.915 1.761 2.065 . 0 0 "[ . 1 . 2]" 1
1180 1 67 LEU QB 1 68 LEU H . . 4.350 2.576 2.406 2.697 . 0 0 "[ . 1 . 2]" 1
1181 1 67 LEU QB 1 71 MET ME . . 3.290 2.603 1.877 3.297 0.007 3 0 "[ . 1 . 2]" 1
1182 1 67 LEU QD 1 70 GLN QE . . 3.940 3.155 2.695 3.753 . 0 0 "[ . 1 . 2]" 1
1183 1 68 LEU MD1 1 78 LEU QB . . 3.530 2.414 2.066 2.644 . 0 0 "[ . 1 . 2]" 1
1184 1 69 ARG H 1 69 ARG QB . . 3.080 2.363 2.294 2.419 . 0 0 "[ . 1 . 2]" 1
1185 1 69 ARG H 1 69 ARG QG . . 3.480 2.410 2.295 2.561 . 0 0 "[ . 1 . 2]" 1
1186 1 69 ARG H 1 69 ARG QD . . 4.260 3.827 3.785 3.874 . 0 0 "[ . 1 . 2]" 1
1187 1 69 ARG HA 1 69 ARG QD . . 4.840 4.408 4.248 4.582 . 0 0 "[ . 1 . 2]" 1
1188 1 69 ARG QB 1 69 ARG QD . . 3.080 2.214 2.106 2.395 . 0 0 "[ . 1 . 2]" 1
1189 1 69 ARG QB 1 70 GLN H . . 3.520 3.415 3.387 3.452 . 0 0 "[ . 1 . 2]" 1
1190 1 69 ARG QG 1 70 GLN HA . . 4.300 3.087 3.036 3.139 . 0 0 "[ . 1 . 2]" 1
1191 1 70 GLN HA 1 70 GLN QG . . 3.460 2.774 2.306 3.322 . 0 0 "[ . 1 . 2]" 1
1192 1 70 GLN QG 1 71 MET H . . 4.690 3.455 2.378 4.382 . 0 0 "[ . 1 . 2]" 1
1193 1 71 MET H 1 71 MET QG . . 4.190 3.373 3.014 3.951 . 0 0 "[ . 1 . 2]" 1
1194 1 71 MET HA 1 123 VAL QG . . 5.260 4.977 4.082 5.279 0.019 15 0 "[ . 1 . 2]" 1
1195 1 71 MET ME 1 71 MET QG . . 3.370 2.216 2.008 2.637 . 0 0 "[ . 1 . 2]" 1
1196 1 71 MET QG 1 123 VAL QG . . 3.910 3.552 2.852 3.922 0.012 18 0 "[ . 1 . 2]" 1
1197 1 73 ILE HB 1 74 SER QB . . 4.210 3.832 3.791 4.010 . 0 0 "[ . 1 . 2]" 1
1198 1 73 ILE HG12 1 74 SER QB . . 4.220 3.797 3.738 3.884 . 0 0 "[ . 1 . 2]" 1
1199 1 73 ILE MD 1 74 SER QB . . 5.340 4.852 4.787 4.917 . 0 0 "[ . 1 . 2]" 1
1200 1 73 ILE MD 1 78 LEU QB . . 3.720 2.963 2.443 3.251 . 0 0 "[ . 1 . 2]" 1
1201 1 74 SER QB 1 75 PRO HG2 . . 3.850 3.676 3.589 3.961 0.111 13 0 "[ . 1 . 2]" 1
1202 1 74 SER QB 1 75 PRO HG3 . . 5.180 4.555 4.477 4.615 . 0 0 "[ . 1 . 2]" 1
1203 1 74 SER QB 1 75 PRO HD2 . . 3.960 2.092 1.924 2.174 . 0 0 "[ . 1 . 2]" 1
1204 1 74 SER QB 1 75 PRO HD3 . . 4.040 3.422 3.153 3.487 . 0 0 "[ . 1 . 2]" 1
1205 1 74 SER QB 1 76 ARG H . . 3.770 2.157 2.087 3.170 . 0 0 "[ . 1 . 2]" 1
1206 1 74 SER QB 1 77 ALA H . . 4.180 3.481 3.397 4.160 . 0 0 "[ . 1 . 2]" 1
1207 1 74 SER QB 1 77 ALA MB . . 4.720 4.214 4.143 4.453 . 0 0 "[ . 1 . 2]" 1
1208 1 75 PRO HB2 1 101 LEU QD . . 3.920 3.116 2.526 3.469 . 0 0 "[ . 1 . 2]" 1
1209 1 75 PRO HG3 1 98 ASP QB . . 4.020 3.512 3.133 4.027 0.007 5 0 "[ . 1 . 2]" 1
1210 1 75 PRO HD2 1 76 ARG QB . . 4.520 4.198 3.914 4.487 . 0 0 "[ . 1 . 2]" 1
1211 1 76 ARG H 1 76 ARG QB . . 3.390 2.392 2.064 2.582 . 0 0 "[ . 1 . 2]" 1
1212 1 76 ARG QB 1 77 ALA H . . 4.030 3.060 2.595 3.458 . 0 0 "[ . 1 . 2]" 1
1213 1 77 ALA H 1 78 LEU QB . . 4.710 3.789 3.710 3.887 . 0 0 "[ . 1 . 2]" 1
1214 1 79 LEU H 1 79 LEU QD . . 4.090 2.051 1.919 2.226 . 0 0 "[ . 1 . 2]" 1
1215 1 79 LEU H 1 101 LEU QD . . 4.440 4.239 4.093 4.423 . 0 0 "[ . 1 . 2]" 1
1216 1 79 LEU HA 1 79 LEU QD . . 3.480 2.047 1.977 2.093 . 0 0 "[ . 1 . 2]" 1
1217 1 79 LEU HB2 1 101 LEU QD . . 4.600 4.039 3.887 4.257 . 0 0 "[ . 1 . 2]" 1
1218 1 79 LEU HG 1 101 LEU QD . . 3.770 3.785 3.772 3.826 0.056 18 0 "[ . 1 . 2]" 1
1219 1 79 LEU QD 1 80 ARG H . . 4.310 3.323 3.220 3.406 . 0 0 "[ . 1 . 2]" 1
1220 1 79 LEU QD 1 86 TYR HE1 . . 5.070 4.113 3.936 4.342 . 0 0 "[ . 1 . 2]" 1
1221 1 79 LEU QD 1 86 TYR HD1 . . 4.110 3.198 3.135 3.267 . 0 0 "[ . 1 . 2]" 1
1222 1 79 LEU QD 1 105 MET H . . 4.510 4.336 4.191 4.485 . 0 0 "[ . 1 . 2]" 1
1223 1 79 LEU QD 1 105 MET HB2 . . 3.110 3.025 2.760 3.144 0.034 8 0 "[ . 1 . 2]" 1
1224 1 79 LEU QD 1 105 MET HB3 . . 4.290 4.215 4.006 4.314 0.024 1 0 "[ . 1 . 2]" 1
1225 1 79 LEU QD 1 105 MET QG . . 3.610 2.255 1.887 3.518 . 0 0 "[ . 1 . 2]" 1
1226 1 80 ARG H 1 80 ARG QB . . 3.630 2.252 2.053 2.617 . 0 0 "[ . 1 . 2]" 1
1227 1 82 LYS H 1 82 LYS QB . . 3.560 2.183 2.064 2.469 . 0 0 "[ . 1 . 2]" 1
1228 1 82 LYS HA 1 82 LYS QG . . 3.490 2.455 2.046 2.844 . 0 0 "[ . 1 . 2]" 1
1229 1 82 LYS HA 1 82 LYS QE . . 4.830 3.622 2.040 4.815 . 0 0 "[ . 1 . 2]" 1
1230 1 82 LYS QB 1 83 GLU H . . 3.610 2.897 2.856 2.936 . 0 0 "[ . 1 . 2]" 1
1231 1 83 GLU H 1 83 GLU QB . . 3.440 2.391 2.225 2.607 . 0 0 "[ . 1 . 2]" 1
1232 1 83 GLU QB 1 85 ARG H . . 5.340 4.021 3.842 4.440 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ALA MB 1 88 GLU QG . . 3.680 2.943 2.700 3.426 . 0 0 "[ . 1 . 2]" 1
1234 1 85 ARG H 1 85 ARG QG . . 4.000 3.017 1.955 4.003 0.003 8 0 "[ . 1 . 2]" 1
1235 1 85 ARG H 1 88 GLU QG . . 5.340 4.242 4.054 4.629 . 0 0 "[ . 1 . 2]" 1
1236 1 85 ARG H 1 89 LEU QD . . 5.340 5.336 5.301 5.355 0.015 3 0 "[ . 1 . 2]" 1
1237 1 85 ARG HA 1 85 ARG QD . . 3.690 2.373 1.974 2.962 . 0 0 "[ . 1 . 2]" 1
1238 1 85 ARG HA 1 88 GLU QB . . 3.120 2.036 1.980 2.083 . 0 0 "[ . 1 . 2]" 1
1239 1 85 ARG QB 1 89 LEU QD . . 3.510 2.875 2.630 3.317 . 0 0 "[ . 1 . 2]" 1
1240 1 85 ARG QG 1 86 TYR H . . 4.740 4.185 3.864 4.462 . 0 0 "[ . 1 . 2]" 1
1241 1 86 TYR HB2 1 101 LEU QD . . 5.440 5.232 5.145 5.318 . 0 0 "[ . 1 . 2]" 1
1242 1 86 TYR HE2 1 92 ASP QB . . 3.860 3.646 3.339 3.972 0.112 13 0 "[ . 1 . 2]" 1
1243 1 86 TYR HE1 1 101 LEU QD . . 4.500 2.879 2.646 3.362 . 0 0 "[ . 1 . 2]" 1
1244 1 86 TYR HD1 1 101 LEU QD . . 3.780 3.521 3.399 3.722 . 0 0 "[ . 1 . 2]" 1
1245 1 87 ALA MB 1 88 GLU QG . . 4.390 3.725 3.570 3.868 . 0 0 "[ . 1 . 2]" 1
1246 1 88 GLU H 1 88 GLU QB . . 3.180 2.239 2.157 2.296 . 0 0 "[ . 1 . 2]" 1
1247 1 88 GLU H 1 88 GLU QG . . 3.200 2.651 2.491 2.885 . 0 0 "[ . 1 . 2]" 1
1248 1 88 GLU QB 1 89 LEU H . . 3.660 2.667 2.603 2.781 . 0 0 "[ . 1 . 2]" 1
1249 1 89 LEU H 1 89 LEU QD . . 3.650 2.929 2.876 3.057 . 0 0 "[ . 1 . 2]" 1
1250 1 89 LEU HA 1 89 LEU QD . . 2.700 2.679 2.560 2.724 0.024 12 0 "[ . 1 . 2]" 1
1251 1 90 GLY QA 1 92 ASP H . . 4.460 3.241 3.015 3.379 . 0 0 "[ . 1 . 2]" 1
1252 1 90 GLY QA 1 93 ASP H . . 5.030 3.577 3.456 3.824 . 0 0 "[ . 1 . 2]" 1
1253 1 91 LEU HA 1 101 LEU QD . . 4.420 3.333 3.192 3.530 . 0 0 "[ . 1 . 2]" 1
1254 1 91 LEU HB2 1 101 LEU QD . . 4.120 3.857 3.732 4.130 0.010 20 0 "[ . 1 . 2]" 1
1255 1 91 LEU HB3 1 101 LEU QD . . 3.670 2.544 2.372 2.929 . 0 0 "[ . 1 . 2]" 1
1256 1 91 LEU MD1 1 101 LEU QD . . 2.590 1.717 1.655 1.858 . 0 0 "[ . 1 . 2]" 1
1257 1 92 ASP H 1 92 ASP QB . . 3.330 2.486 2.048 2.800 . 0 0 "[ . 1 . 2]" 1
1258 1 92 ASP QB 1 93 ASP HA . . 4.430 4.051 3.837 4.214 . 0 0 "[ . 1 . 2]" 1
1259 1 92 ASP QB 1 94 PRO HD2 . . 5.340 5.387 5.345 5.516 0.176 20 0 "[ . 1 . 2]" 1
1260 1 92 ASP QB 1 94 PRO HD3 . . 4.800 4.365 4.255 4.550 . 0 0 "[ . 1 . 2]" 1
1261 1 93 ASP QB 1 96 LEU H . . 3.920 3.175 2.781 3.925 0.005 8 0 "[ . 1 . 2]" 1
1262 1 93 ASP QB 1 96 LEU HG . . 3.460 2.334 1.949 3.660 0.200 18 0 "[ . 1 . 2]" 1
1263 1 96 LEU H 1 96 LEU QB . . 3.220 2.368 2.286 2.634 . 0 0 "[ . 1 . 2]" 1
1264 1 96 LEU QB 1 97 SER H . . 3.800 1.939 1.927 2.036 . 0 0 "[ . 1 . 2]" 1
1265 1 97 SER H 1 97 SER QB . . 3.130 2.587 2.508 2.653 . 0 0 "[ . 1 . 2]" 1
1266 1 97 SER QB 1 99 GLU H . . 3.230 2.359 2.291 2.520 . 0 0 "[ . 1 . 2]" 1
1267 1 97 SER QB 1 100 VAL MG1 . . 4.640 3.751 2.827 4.053 . 0 0 "[ . 1 . 2]" 1
1268 1 98 ASP H 1 98 ASP QB . . 3.200 2.425 2.161 2.666 . 0 0 "[ . 1 . 2]" 1
1269 1 98 ASP HA 1 101 LEU QD . . 4.130 3.506 3.334 3.624 . 0 0 "[ . 1 . 2]" 1
1270 1 98 ASP QB 1 99 GLU H . . 3.730 3.173 2.734 3.550 . 0 0 "[ . 1 . 2]" 1
1271 1 98 ASP QB 1 102 ILE H . . 5.200 4.258 4.124 4.565 . 0 0 "[ . 1 . 2]" 1
1272 1 99 GLU H 1 99 GLU QB . . 3.070 2.271 2.142 2.588 . 0 0 "[ . 1 . 2]" 1
1273 1 99 GLU QB 1 100 VAL H . . 3.900 2.151 2.047 3.168 . 0 0 "[ . 1 . 2]" 1
1274 1 99 GLU QB 1 100 VAL HA . . 4.280 3.941 3.769 4.248 . 0 0 "[ . 1 . 2]" 1
1275 1 100 VAL H 1 101 LEU QD . . 4.630 4.260 4.050 4.428 . 0 0 "[ . 1 . 2]" 1
1276 1 100 VAL HA 1 103 ASP QB . . 3.610 2.602 2.467 2.717 . 0 0 "[ . 1 . 2]" 1
1277 1 101 LEU H 1 101 LEU QD . . 3.700 2.569 2.382 2.752 . 0 0 "[ . 1 . 2]" 1
1278 1 101 LEU HA 1 101 LEU QD . . 3.050 1.890 1.836 2.027 . 0 0 "[ . 1 . 2]" 1
1279 1 101 LEU HB2 1 101 LEU QD . . 2.920 2.324 2.289 2.366 . 0 0 "[ . 1 . 2]" 1
1280 1 101 LEU HB3 1 101 LEU QD . . 2.770 2.297 2.170 2.340 . 0 0 "[ . 1 . 2]" 1
1281 1 101 LEU QD 1 102 ILE H . . 4.400 3.886 3.849 3.913 . 0 0 "[ . 1 . 2]" 1
1282 1 103 ASP QB 1 104 ALA MB . . 4.030 3.784 3.700 3.933 . 0 0 "[ . 1 . 2]" 1
1283 1 105 MET H 1 105 MET QG . . 3.900 3.864 3.802 4.004 0.104 4 0 "[ . 1 . 2]" 1
1284 1 105 MET HA 1 105 MET QG . . 3.710 2.295 2.153 2.420 . 0 0 "[ . 1 . 2]" 1
1285 1 105 MET HB2 1 110 VAL QG . . 3.970 3.838 3.545 3.981 0.011 16 0 "[ . 1 . 2]" 1
1286 1 105 MET HB3 1 110 VAL QG . . 4.110 4.051 3.875 4.159 0.049 4 0 "[ . 1 . 2]" 1
1287 1 105 MET QG 1 110 VAL QG . . 3.100 1.861 1.755 1.952 . 0 0 "[ . 1 . 2]" 1
1288 1 105 MET ME 1 110 VAL QG . . 4.300 2.161 1.890 2.737 . 0 0 "[ . 1 . 2]" 1
1289 1 107 SER H 1 107 SER QB . . 3.360 2.313 2.189 2.568 . 0 0 "[ . 1 . 2]" 1
1290 1 107 SER H 1 110 VAL QG . . 5.440 5.161 5.017 5.386 . 0 0 "[ . 1 . 2]" 1
1291 1 107 SER QB 1 108 ASN H . . 3.880 2.838 2.665 3.514 . 0 0 "[ . 1 . 2]" 1
1292 1 108 ASN H 1 108 ASN QB . . 3.500 2.148 2.102 2.190 . 0 0 "[ . 1 . 2]" 1
1293 1 108 ASN H 1 109 PRO QD . . 4.470 4.358 4.350 4.364 . 0 0 "[ . 1 . 2]" 1
1294 1 108 ASN H 1 110 VAL QG . . 4.060 3.867 3.717 3.965 . 0 0 "[ . 1 . 2]" 1
1295 1 108 ASN HA 1 110 VAL QG . . 4.600 4.232 4.035 4.431 . 0 0 "[ . 1 . 2]" 1
1296 1 108 ASN QB 1 109 PRO QD . . 3.620 2.024 1.973 2.089 . 0 0 "[ . 1 . 2]" 1
1297 1 108 ASN QB 1 110 VAL QG . . 3.340 2.093 1.878 2.267 . 0 0 "[ . 1 . 2]" 1
1298 1 109 PRO QD 1 110 VAL H . . 4.590 2.684 2.648 2.716 . 0 0 "[ . 1 . 2]" 1
1299 1 110 VAL H 1 110 VAL QG . . 3.050 2.079 1.859 2.317 . 0 0 "[ . 1 . 2]" 1
1300 1 110 VAL HA 1 110 VAL QG . . 2.900 2.268 2.153 2.370 . 0 0 "[ . 1 . 2]" 1
1301 1 110 VAL QG 1 111 LEU H . . 3.420 2.327 2.234 2.576 . 0 0 "[ . 1 . 2]" 1
1302 1 110 VAL QG 1 111 LEU HB3 . . 4.310 3.320 3.241 3.448 . 0 0 "[ . 1 . 2]" 1
1303 1 111 LEU H 1 112 MET QB . . 4.870 4.491 4.214 4.790 . 0 0 "[ . 1 . 2]" 1
1304 1 112 MET H 1 112 MET QB . . 3.600 2.323 2.043 2.569 . 0 0 "[ . 1 . 2]" 1
1305 1 112 MET QB 1 112 MET ME . . 3.400 2.572 1.917 3.418 0.018 3 0 "[ . 1 . 2]" 1
1306 1 112 MET ME 1 112 MET QG . . 2.960 2.227 1.962 2.517 . 0 0 "[ . 1 . 2]" 1
1307 1 112 MET ME 1 127 ARG QB . . 3.930 2.952 2.036 3.946 0.016 14 0 "[ . 1 . 2]" 1
1308 1 113 ASN HA 1 125 LEU QB . . 4.730 4.563 4.197 4.807 0.077 3 0 "[ . 1 . 2]" 1
1309 1 113 ASN HA 1 125 LEU QD . . 3.470 1.978 1.804 2.234 . 0 0 "[ . 1 . 2]" 1
1310 1 113 ASN QB 1 125 LEU QD . . 3.800 2.800 2.190 3.539 . 0 0 "[ . 1 . 2]" 1
1311 1 114 ARG H 1 115 PRO QD . . 4.100 2.210 2.112 2.327 . 0 0 "[ . 1 . 2]" 1
1312 1 114 ARG H 1 125 LEU QD . . 4.370 4.113 3.887 4.419 0.049 11 0 "[ . 1 . 2]" 1
1313 1 116 VAL H 1 116 VAL QG . . 3.690 2.808 2.671 2.931 . 0 0 "[ . 1 . 2]" 1
1314 1 116 VAL QG 1 117 VAL H . . 3.310 2.278 1.958 2.574 . 0 0 "[ . 1 . 2]" 1
1315 1 116 VAL QG 1 124 ARG H . . 3.780 3.341 3.026 3.609 . 0 0 "[ . 1 . 2]" 1
1316 1 116 VAL QG 1 125 LEU HA . . 4.340 2.768 2.623 2.932 . 0 0 "[ . 1 . 2]" 1
1317 1 116 VAL QG 1 126 CYS H . . 4.430 3.288 3.187 3.409 . 0 0 "[ . 1 . 2]" 1
1318 1 117 VAL H 1 117 VAL QG . . 3.760 2.201 1.885 3.071 . 0 0 "[ . 1 . 2]" 1
1319 1 117 VAL H 1 123 VAL QG . . 5.010 4.054 3.478 5.082 0.072 18 0 "[ . 1 . 2]" 1
1320 1 117 VAL HA 1 117 VAL QG . . 3.070 2.237 2.007 2.335 . 0 0 "[ . 1 . 2]" 1
1321 1 117 VAL QG 1 118 VAL H . . 4.120 2.415 2.143 2.753 . 0 0 "[ . 1 . 2]" 1
1322 1 117 VAL QG 1 124 ARG H . . 4.490 2.759 2.624 2.999 . 0 0 "[ . 1 . 2]" 1
1323 1 117 VAL QG 1 126 CYS H . . 4.920 3.118 2.815 3.731 . 0 0 "[ . 1 . 2]" 1
1324 1 119 THR H 1 123 VAL QG . . 4.100 3.173 2.373 3.987 . 0 0 "[ . 1 . 2]" 1
1325 1 119 THR HA 1 120 PRO QG . . 4.290 4.057 4.024 4.079 . 0 0 "[ . 1 . 2]" 1
1326 1 119 THR HB 1 136 LEU QD . . 4.600 4.180 3.068 4.607 0.007 1 0 "[ . 1 . 2]" 1
1327 1 119 THR MG 1 136 LEU QD . . 3.960 3.492 2.600 3.944 . 0 0 "[ . 1 . 2]" 1
1328 1 121 LYS H 1 121 LYS QB . . 3.550 2.557 2.430 3.026 . 0 0 "[ . 1 . 2]" 1
1329 1 121 LYS H 1 121 LYS QG . . 4.260 3.257 1.937 4.203 . 0 0 "[ . 1 . 2]" 1
1330 1 121 LYS HA 1 121 LYS QG . . 3.440 2.558 2.223 3.310 . 0 0 "[ . 1 . 2]" 1
1331 1 121 LYS QB 1 122 GLY H . . 3.980 3.443 3.380 3.853 . 0 0 "[ . 1 . 2]" 1
1332 1 121 LYS QB 1 135 LEU MD1 . . 3.680 3.636 3.395 3.724 0.044 5 0 "[ . 1 . 2]" 1
1333 1 121 LYS QG 1 122 GLY H . . 4.740 4.323 3.185 4.591 . 0 0 "[ . 1 . 2]" 1
1334 1 122 GLY QA 1 123 VAL QG . . 4.270 3.356 3.027 3.634 . 0 0 "[ . 1 . 2]" 1
1335 1 122 GLY QA 1 135 LEU MD2 . . 5.030 4.113 3.573 4.609 . 0 0 "[ . 1 . 2]" 1
1336 1 123 VAL H 1 123 VAL QG . . 3.300 2.375 1.951 2.829 . 0 0 "[ . 1 . 2]" 1
1337 1 123 VAL QG 1 124 ARG H . . 3.480 2.306 1.946 3.363 . 0 0 "[ . 1 . 2]" 1
1338 1 124 ARG H 1 124 ARG QG . . 4.500 4.231 4.123 4.369 . 0 0 "[ . 1 . 2]" 1
1339 1 124 ARG HA 1 124 ARG QD . . 3.910 3.566 2.103 3.903 . 0 0 "[ . 1 . 2]" 1
1340 1 124 ARG QB 1 124 ARG QD . . 3.010 2.073 1.947 2.908 . 0 0 "[ . 1 . 2]" 1
1341 1 124 ARG QB 1 125 LEU H . . 4.430 2.845 2.596 3.200 . 0 0 "[ . 1 . 2]" 1
1342 1 124 ARG QB 1 135 LEU MD2 . . 3.140 1.760 1.712 1.820 . 0 0 "[ . 1 . 2]" 1
1343 1 124 ARG QG 1 125 LEU H . . 4.320 2.265 1.924 3.013 . 0 0 "[ . 1 . 2]" 1
1344 1 124 ARG QG 1 135 LEU MD2 . . 3.750 3.460 3.104 3.595 . 0 0 "[ . 1 . 2]" 1
1345 1 124 ARG QD 1 131 THR HA . . 4.330 3.714 3.285 4.374 0.044 13 0 "[ . 1 . 2]" 1
1346 1 124 ARG QD 1 131 THR HB . . 4.350 2.486 2.155 3.360 . 0 0 "[ . 1 . 2]" 1
1347 1 125 LEU QD 1 126 CYS H . . 4.200 3.159 2.615 4.058 . 0 0 "[ . 1 . 2]" 1
1348 1 128 PRO QB 1 129 ALA MB . . 4.170 3.585 3.518 3.653 . 0 0 "[ . 1 . 2]" 1
1349 1 128 PRO QB 1 130 GLU H . . 3.900 2.359 2.318 2.426 . 0 0 "[ . 1 . 2]" 1
1350 1 128 PRO QG 1 130 GLU H . . 4.360 2.804 2.724 2.859 . 0 0 "[ . 1 . 2]" 1
1351 1 128 PRO QG 1 131 THR MG . . 3.420 2.739 2.474 3.465 0.045 14 0 "[ . 1 . 2]" 1
1352 1 128 PRO QD 1 131 THR MG . . 3.270 1.989 1.868 2.631 . 0 0 "[ . 1 . 2]" 1
1353 1 130 GLU H 1 130 GLU QB . . 3.110 2.289 2.095 2.634 . 0 0 "[ . 1 . 2]" 1
1354 1 130 GLU H 1 130 GLU QG . . 3.340 2.659 1.947 3.167 . 0 0 "[ . 1 . 2]" 1
1355 1 130 GLU HA 1 133 GLN QB . . 3.990 3.012 2.393 3.698 . 0 0 "[ . 1 . 2]" 1
1356 1 130 GLU HA 1 133 GLN QG . . 3.980 2.890 1.970 3.872 . 0 0 "[ . 1 . 2]" 1
1357 1 130 GLU QB 1 131 THR H . . 4.290 2.586 2.335 2.804 . 0 0 "[ . 1 . 2]" 1
1358 1 130 GLU QB 1 131 THR MG . . 3.630 3.265 3.071 3.722 0.092 1 0 "[ . 1 . 2]" 1
1359 1 130 GLU QG 1 131 THR H . . 4.610 4.216 3.655 4.461 . 0 0 "[ . 1 . 2]" 1
1360 1 131 THR HA 1 134 GLU QB . . 3.240 2.684 2.412 2.990 . 0 0 "[ . 1 . 2]" 1
1361 1 131 THR HA 1 134 GLU QG . . 4.020 3.578 3.331 3.935 . 0 0 "[ . 1 . 2]" 1
1362 1 132 VAL MG1 1 133 GLN QG . . 4.010 3.083 2.402 3.608 . 0 0 "[ . 1 . 2]" 1
1363 1 132 VAL MG1 1 133 GLN QE . . 4.830 4.008 3.199 4.830 . 0 0 "[ . 1 . 2]" 1
1364 1 133 GLN H 1 133 GLN QB . . 3.510 2.256 2.124 2.385 . 0 0 "[ . 1 . 2]" 1
1365 1 133 GLN H 1 133 GLN QG . . 3.300 2.656 2.339 2.997 . 0 0 "[ . 1 . 2]" 1
1366 1 133 GLN HA 1 133 GLN QG . . 3.410 2.722 2.086 3.323 . 0 0 "[ . 1 . 2]" 1
1367 1 133 GLN HA 1 136 LEU QD . . 3.480 3.408 3.054 3.503 0.023 18 0 "[ . 1 . 2]" 1
1368 1 134 GLU H 1 134 GLU QB . . 3.090 2.192 2.125 2.289 . 0 0 "[ . 1 . 2]" 1
1369 1 134 GLU H 1 134 GLU QG . . 3.230 2.912 2.613 3.058 . 0 0 "[ . 1 . 2]" 1
1370 1 134 GLU HA 1 134 GLU QG . . 3.250 2.464 2.146 2.760 . 0 0 "[ . 1 . 2]" 1
1371 1 134 GLU QB 1 136 LEU H . . 4.760 4.664 4.578 4.727 . 0 0 "[ . 1 . 2]" 1
1372 1 135 LEU H 1 136 LEU QD . . 5.440 5.417 5.307 5.526 0.086 1 0 "[ . 1 . 2]" 1
1373 1 136 LEU H 1 136 LEU QD . . 4.000 3.608 3.510 3.752 . 0 0 "[ . 1 . 2]" 1
1374 1 136 LEU HA 1 136 LEU QD . . 3.630 2.520 1.927 3.195 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 94
_Distance_constraint_stats_list.Viol_count 1775
_Distance_constraint_stats_list.Viol_total 8514.643
_Distance_constraint_stats_list.Viol_max 0.628
_Distance_constraint_stats_list.Viol_rms 0.1318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2265
_Distance_constraint_stats_list.Viol_average_violations_only 0.2398
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 24 VAL 7.673 0.305 5 0 "[ . 1 . 2]"
1 25 THR 10.067 0.308 14 0 "[ . 1 . 2]"
1 26 ILE 14.478 0.293 17 0 "[ . 1 . 2]"
1 27 TYR 15.640 0.348 15 0 "[ . 1 . 2]"
1 31 VAL 9.267 0.319 9 0 "[ . 1 . 2]"
1 33 GLY 7.407 0.317 9 0 "[ . 1 . 2]"
1 34 THR 10.046 0.350 17 0 "[ . 1 . 2]"
1 35 SER 17.942 0.319 9 0 "[ . 1 . 2]"
1 37 LYS 19.343 0.401 10 0 "[ . 1 . 2]"
1 38 VAL 21.891 0.370 15 0 "[ . 1 . 2]"
1 39 LEU 13.035 0.278 2 0 "[ . 1 . 2]"
1 40 GLY 7.077 0.332 7 0 "[ . 1 . 2]"
1 41 MET 18.947 0.401 10 0 "[ . 1 . 2]"
1 42 ILE 45.865 0.543 3 18 "[**+ **** *********-*]"
1 43 ARG 4.359 0.234 15 0 "[ . 1 . 2]"
1 44 GLU 7.077 0.332 7 0 "[ . 1 . 2]"
1 45 ALA 7.011 0.400 4 0 "[ . 1 . 2]"
1 46 GLY 14.026 0.466 17 0 "[ . 1 . 2]"
1 47 ILE 19.993 0.543 3 18 "[**+ **** *********-*]"
1 50 HIS 13.803 0.305 5 0 "[ . 1 . 2]"
1 52 ILE 8.348 0.278 15 0 "[ . 1 . 2]"
1 60 PRO 10.655 0.370 14 0 "[ . 1 . 2]"
1 61 ARG 5.837 0.292 9 0 "[ . 1 . 2]"
1 62 ASP 11.949 0.406 15 0 "[ . 1 . 2]"
1 63 MET 9.230 0.337 20 0 "[ . 1 . 2]"
1 64 LEU 13.604 0.370 14 0 "[ . 1 . 2]"
1 65 VAL 10.847 0.292 9 0 "[ . 1 . 2]"
1 66 GLU 24.604 0.406 15 0 "[ . 1 . 2]"
1 67 LEU 15.996 0.337 20 0 "[ . 1 . 2]"
1 68 LEU 2.949 0.266 9 0 "[ . 1 . 2]"
1 69 ARG 5.010 0.229 18 0 "[ . 1 . 2]"
1 70 GLN 12.654 0.396 11 0 "[ . 1 . 2]"
1 71 MET 6.766 0.308 6 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 8.625 0.239 6 0 "[ . 1 . 2]"
1 86 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 8.625 0.239 6 0 "[ . 1 . 2]"
1 90 GLY 9.599 0.307 18 0 "[ . 1 . 2]"
1 93 ASP 9.599 0.307 18 0 "[ . 1 . 2]"
1 97 SER 11.940 0.354 16 0 "[ . 1 . 2]"
1 98 ASP 2.008 0.291 20 0 "[ . 1 . 2]"
1 99 GLU 11.186 0.339 16 0 "[ . 1 . 2]"
1 100 VAL 8.491 0.249 5 0 "[ . 1 . 2]"
1 101 LEU 23.101 0.354 16 0 "[ . 1 . 2]"
1 102 ILE 4.517 0.291 20 0 "[ . 1 . 2]"
1 103 ASP 11.186 0.339 16 0 "[ . 1 . 2]"
1 104 ALA 15.746 0.264 9 0 "[ . 1 . 2]"
1 105 MET 11.161 0.323 4 0 "[ . 1 . 2]"
1 106 ILE 2.509 0.248 16 0 "[ . 1 . 2]"
1 108 ASN 30.957 0.628 4 20 [***+***********-****]
1 109 PRO 11.647 0.346 12 0 "[ . 1 . 2]"
1 111 LEU 23.702 0.628 4 20 [***+***********-****]
1 112 MET 11.647 0.346 12 0 "[ . 1 . 2]"
1 115 PRO 4.091 0.218 12 0 "[ . 1 . 2]"
1 116 VAL 15.640 0.348 15 0 "[ . 1 . 2]"
1 117 VAL 13.569 0.406 10 0 "[ . 1 . 2]"
1 118 VAL 10.067 0.308 14 0 "[ . 1 . 2]"
1 119 THR 23.095 0.401 17 0 "[ . 1 . 2]"
1 122 GLY 23.095 0.401 17 0 "[ . 1 . 2]"
1 124 ARG 13.569 0.406 10 0 "[ . 1 . 2]"
1 126 CYS 4.091 0.218 12 0 "[ . 1 . 2]"
1 128 PRO 21.409 0.604 13 20 [************+*-*****]
1 129 ALA 9.345 0.280 7 0 "[ . 1 . 2]"
1 131 THR 12.210 0.352 13 0 "[ . 1 . 2]"
1 132 VAL 30.749 0.604 13 20 [************+*-*****]
1 133 GLN 9.345 0.280 7 0 "[ . 1 . 2]"
1 135 LEU 12.210 0.352 13 0 "[ . 1 . 2]"
1 136 LEU 9.340 0.289 13 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 31 VAL O 1 35 SER H . . 1.800 2.039 1.969 2.118 0.318 17 0 "[ . 1 . 2]" 2
2 1 31 VAL O 1 35 SER N . . 2.700 2.924 2.797 3.019 0.319 9 0 "[ . 1 . 2]" 2
3 1 33 GLY O 1 37 LYS H . . 1.800 2.010 1.852 2.093 0.293 9 0 "[ . 1 . 2]" 2
4 1 33 GLY O 1 37 LYS N . . 2.700 2.861 2.738 3.017 0.317 9 0 "[ . 1 . 2]" 2
5 1 34 THR O 1 38 VAL H . . 1.800 2.015 1.832 2.073 0.273 17 0 "[ . 1 . 2]" 2
6 1 34 THR O 1 38 VAL N . . 2.700 2.987 2.811 3.050 0.350 17 0 "[ . 1 . 2]" 2
7 1 35 SER O 1 39 LEU H . . 1.800 2.006 1.865 2.039 0.239 2 0 "[ . 1 . 2]" 2
8 1 35 SER O 1 39 LEU N . . 2.700 2.927 2.829 2.978 0.278 2 0 "[ . 1 . 2]" 2
9 1 37 LYS O 1 41 MET H . . 1.800 2.072 2.041 2.133 0.333 10 0 "[ . 1 . 2]" 2
10 1 37 LYS O 1 41 MET N . . 2.700 3.025 2.972 3.101 0.401 10 0 "[ . 1 . 2]" 2
11 1 38 VAL O 1 42 ILE H . . 1.800 2.065 2.018 2.131 0.331 10 0 "[ . 1 . 2]" 2
12 1 38 VAL O 1 42 ILE N . . 2.700 3.028 2.997 3.070 0.370 15 0 "[ . 1 . 2]" 2
13 1 39 LEU O 1 43 ARG H . . 1.800 1.898 1.799 2.015 0.215 19 0 "[ . 1 . 2]" 2
14 1 39 LEU O 1 43 ARG N . . 2.700 2.820 2.730 2.934 0.234 15 0 "[ . 1 . 2]" 2
15 1 40 GLY O 1 44 GLU H . . 1.800 1.985 1.820 2.090 0.290 11 0 "[ . 1 . 2]" 2
16 1 40 GLY O 1 44 GLU N . . 2.700 2.869 2.737 3.032 0.332 7 0 "[ . 1 . 2]" 2
17 1 41 MET O 1 45 ALA H . . 1.800 2.052 2.010 2.200 0.400 4 0 "[ . 1 . 2]" 2
18 1 41 MET O 1 45 ALA N . . 2.700 2.798 2.740 2.944 0.244 11 0 "[ . 1 . 2]" 2
19 1 42 ILE O 1 46 GLY H . . 1.800 2.207 2.097 2.266 0.466 17 0 "[ . 1 . 2]" 2
20 1 42 ILE O 1 46 GLY N . . 2.700 2.995 2.875 3.057 0.357 17 0 "[ . 1 . 2]" 2
21 1 42 ILE O 1 47 ILE H . . 1.800 2.303 2.247 2.340 0.540 10 13 "[*** ** * + ** ** *-2]" 2
22 1 42 ILE O 1 47 ILE N . . 2.700 3.197 3.124 3.243 0.543 3 11 "[* + . * ** -.*****]" 2
23 1 60 PRO O 1 64 LEU H . . 1.800 2.056 1.956 2.142 0.342 14 0 "[ . 1 . 2]" 2
24 1 60 PRO O 1 64 LEU N . . 2.700 2.976 2.857 3.070 0.370 14 0 "[ . 1 . 2]" 2
25 1 61 ARG O 1 65 VAL H . . 1.800 1.945 1.793 2.089 0.289 7 0 "[ . 1 . 2]" 2
26 1 61 ARG O 1 65 VAL N . . 2.700 2.847 2.745 2.992 0.292 9 0 "[ . 1 . 2]" 2
27 1 62 ASP O 1 66 GLU H . . 1.800 2.089 2.027 2.158 0.358 15 0 "[ . 1 . 2]" 2
28 1 62 ASP O 1 66 GLU N . . 2.700 3.008 2.922 3.106 0.406 15 0 "[ . 1 . 2]" 2
29 1 63 MET O 1 67 LEU H . . 1.800 2.057 2.012 2.137 0.337 20 0 "[ . 1 . 2]" 2
30 1 63 MET O 1 67 LEU N . . 2.700 2.904 2.853 2.960 0.260 9 0 "[ . 1 . 2]" 2
31 1 64 LEU O 1 68 LEU H . . 1.800 1.859 1.787 2.012 0.212 12 0 "[ . 1 . 2]" 2
32 1 64 LEU O 1 68 LEU N . . 2.700 2.787 2.717 2.966 0.266 9 0 "[ . 1 . 2]" 2
33 1 65 VAL O 1 69 ARG H . . 1.800 1.937 1.804 2.029 0.229 18 0 "[ . 1 . 2]" 2
34 1 65 VAL O 1 69 ARG N . . 2.700 2.812 2.684 2.907 0.207 18 0 "[ . 1 . 2]" 2
35 1 66 GLU O 1 70 GLN H . . 1.800 2.143 2.093 2.196 0.396 11 0 "[ . 1 . 2]" 2
36 1 66 GLU O 1 70 GLN N . . 2.700 2.990 2.950 3.037 0.337 11 0 "[ . 1 . 2]" 2
37 1 67 LEU O 1 71 MET H . . 1.800 2.035 1.942 2.108 0.308 6 0 "[ . 1 . 2]" 2
38 1 67 LEU O 1 71 MET N . . 2.700 2.804 2.709 2.901 0.201 6 0 "[ . 1 . 2]" 2
39 1 83 GLU O 1 86 TYR H . . 1.800 1.757 1.750 1.771 . 0 0 "[ . 1 . 2]" 2
40 1 83 GLU O 1 86 TYR N . . 2.700 2.521 2.512 2.529 . 0 0 "[ . 1 . 2]" 2
41 1 85 ARG O 1 89 LEU H . . 1.800 2.013 1.967 2.032 0.232 17 0 "[ . 1 . 2]" 2
42 1 85 ARG O 1 89 LEU N . . 2.700 2.918 2.863 2.939 0.239 6 0 "[ . 1 . 2]" 2
43 1 90 GLY O 1 93 ASP H . . 1.800 2.027 2.004 2.074 0.274 18 0 "[ . 1 . 2]" 2
44 1 90 GLY O 1 93 ASP N . . 2.700 2.953 2.919 3.007 0.307 18 0 "[ . 1 . 2]" 2
45 1 97 SER O 1 101 LEU H . . 1.800 2.072 2.020 2.105 0.305 16 0 "[ . 1 . 2]" 2
46 1 97 SER O 1 101 LEU N . . 2.700 3.025 2.941 3.054 0.354 16 0 "[ . 1 . 2]" 2
47 1 98 ASP O 1 102 ILE H . . 1.800 1.811 1.776 2.026 0.226 20 0 "[ . 1 . 2]" 2
48 1 98 ASP O 1 102 ILE N . . 2.700 2.778 2.747 2.991 0.291 20 0 "[ . 1 . 2]" 2
49 1 99 GLU O 1 103 ASP H . . 1.800 2.048 1.928 2.118 0.318 5 0 "[ . 1 . 2]" 2
50 1 99 GLU O 1 103 ASP N . . 2.700 3.011 2.889 3.039 0.339 16 0 "[ . 1 . 2]" 2
51 1 100 VAL O 1 104 ALA H . . 1.800 2.032 2.013 2.049 0.249 5 0 "[ . 1 . 2]" 2
52 1 100 VAL O 1 104 ALA N . . 2.700 2.893 2.855 2.913 0.213 11 0 "[ . 1 . 2]" 2
53 1 101 LEU O 1 105 MET H . . 1.800 2.066 2.025 2.096 0.296 4 0 "[ . 1 . 2]" 2
54 1 101 LEU O 1 105 MET N . . 2.700 2.992 2.953 3.023 0.323 4 0 "[ . 1 . 2]" 2
55 1 102 ILE O 1 106 ILE H . . 1.800 1.822 1.775 1.971 0.171 16 0 "[ . 1 . 2]" 2
56 1 102 ILE O 1 106 ILE N . . 2.700 2.799 2.749 2.948 0.248 16 0 "[ . 1 . 2]" 2
57 1 104 ALA O 1 108 ASN H . . 1.800 2.022 2.005 2.057 0.257 9 0 "[ . 1 . 2]" 2
58 1 104 ALA O 1 108 ASN N . . 2.700 2.841 2.763 2.964 0.264 9 0 "[ . 1 . 2]" 2
59 1 108 ASN O 1 111 LEU H . . 1.800 2.367 2.357 2.373 0.573 10 20 [*********+*****-****] 2
60 1 108 ASN O 1 111 LEU N . . 2.700 3.318 3.309 3.328 0.628 4 20 [***+***********-****] 2
61 1 109 PRO O 1 112 MET H . . 1.800 2.066 2.054 2.089 0.289 9 0 "[ . 1 . 2]" 2
62 1 109 PRO O 1 112 MET N . . 2.700 3.016 3.000 3.046 0.346 12 0 "[ . 1 . 2]" 2
63 1 128 PRO O 1 132 VAL H . . 1.800 2.301 2.274 2.336 0.536 13 9 "[ ** ** * + -** 2]" 2
64 1 128 PRO O 1 132 VAL N . . 2.700 3.269 3.241 3.304 0.604 13 20 [************+******-] 2
65 1 129 ALA O 1 133 GLN H . . 1.800 2.059 2.032 2.080 0.280 7 0 "[ . 1 . 2]" 2
66 1 129 ALA O 1 133 GLN N . . 2.700 2.908 2.851 2.955 0.255 13 0 "[ . 1 . 2]" 2
67 1 131 THR O 1 135 LEU H . . 1.800 2.092 2.043 2.127 0.327 14 0 "[ . 1 . 2]" 2
68 1 131 THR O 1 135 LEU N . . 2.700 3.018 2.982 3.052 0.352 13 0 "[ . 1 . 2]" 2
69 1 132 VAL O 1 136 LEU H . . 1.800 2.025 1.976 2.069 0.269 13 0 "[ . 1 . 2]" 2
70 1 132 VAL O 1 136 LEU N . . 2.700 2.942 2.886 2.989 0.289 13 0 "[ . 1 . 2]" 2
71 1 25 THR H 1 118 VAL O . . 1.800 2.038 1.922 2.081 0.281 13 0 "[ . 1 . 2]" 2
72 1 25 THR N 1 118 VAL O . . 2.700 2.934 2.809 3.008 0.308 14 0 "[ . 1 . 2]" 2
73 1 24 VAL O 1 50 HIS H . . 1.800 2.015 1.867 2.060 0.260 5 0 "[ . 1 . 2]" 2
74 1 24 VAL O 1 50 HIS N . . 2.700 2.869 2.739 3.005 0.305 5 0 "[ . 1 . 2]" 2
75 1 25 THR O 1 118 VAL H . . 1.800 1.803 1.767 1.888 0.088 17 0 "[ . 1 . 2]" 2
76 1 25 THR O 1 118 VAL N . . 2.700 2.720 2.691 2.740 0.040 17 0 "[ . 1 . 2]" 2
77 1 26 ILE O 1 52 ILE H . . 1.800 1.994 1.925 2.023 0.223 1 0 "[ . 1 . 2]" 2
78 1 26 ILE O 1 52 ILE N . . 2.700 2.923 2.819 2.978 0.278 15 0 "[ . 1 . 2]" 2
79 1 27 TYR O 1 116 VAL H . . 1.800 2.054 2.030 2.087 0.287 9 0 "[ . 1 . 2]" 2
80 1 27 TYR O 1 116 VAL N . . 2.700 3.007 2.967 3.048 0.348 15 0 "[ . 1 . 2]" 2
81 1 26 ILE H 1 50 HIS O . . 1.800 1.925 1.796 2.018 0.218 4 0 "[ . 1 . 2]" 2
82 1 26 ILE N 1 50 HIS O . . 2.700 2.881 2.767 2.993 0.293 17 0 "[ . 1 . 2]" 2
83 1 115 PRO O 1 126 CYS H . . 1.800 1.933 1.844 2.018 0.218 12 0 "[ . 1 . 2]" 2
84 1 115 PRO O 1 126 CYS N . . 2.700 2.772 2.720 2.898 0.198 12 0 "[ . 1 . 2]" 2
85 1 119 THR O 1 122 GLY H . . 1.800 2.146 2.132 2.161 0.361 17 0 "[ . 1 . 2]" 2
86 1 119 THR O 1 122 GLY N . . 2.700 3.089 3.076 3.101 0.401 17 0 "[ . 1 . 2]" 2
87 1 27 TYR H 1 116 VAL O . . 1.800 1.890 1.797 2.006 0.206 8 0 "[ . 1 . 2]" 2
88 1 27 TYR N 1 116 VAL O . . 2.700 2.830 2.742 2.909 0.209 11 0 "[ . 1 . 2]" 2
89 1 119 THR H 1 122 GLY O . . 1.800 2.041 2.015 2.104 0.304 13 0 "[ . 1 . 2]" 2
90 1 119 THR N 1 122 GLY O . . 2.700 2.879 2.846 2.940 0.240 13 0 "[ . 1 . 2]" 2
91 1 117 VAL H 1 124 ARG O . . 1.800 1.837 1.777 1.930 0.130 15 0 "[ . 1 . 2]" 2
92 1 117 VAL N 1 124 ARG O . . 2.700 2.715 2.680 2.754 0.054 9 0 "[ . 1 . 2]" 2
93 1 117 VAL O 1 124 ARG H . . 1.800 2.078 2.037 2.143 0.343 13 0 "[ . 1 . 2]" 2
94 1 117 VAL O 1 124 ARG N . . 2.700 3.042 3.003 3.106 0.406 10 0 "[ . 1 . 2]" 2
stop_
save_
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