NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572665 |
2mim   |
19687 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mim
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 1700
_Distance_constraint_stats_list.Viol_count 2328
_Distance_constraint_stats_list.Viol_total 1014.642
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0436
_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 5 GLY 0.260 0.123 4 0 "[ . 1]"
1 6 GLN 2.438 0.189 8 0 "[ . 1]"
1 7 GLU 0.834 0.111 4 0 "[ . 1]"
1 8 GLU 0.041 0.021 1 0 "[ . 1]"
1 9 PHE 0.264 0.039 3 0 "[ . 1]"
1 10 ALA 1.049 0.090 9 0 "[ . 1]"
1 11 VAL 0.640 0.069 6 0 "[ . 1]"
1 12 GLU 0.843 0.069 6 0 "[ . 1]"
1 13 ILE 0.931 0.089 5 0 "[ . 1]"
1 14 SER 0.039 0.013 5 0 "[ . 1]"
1 15 GLY 0.633 0.183 7 0 "[ . 1]"
1 16 THR 0.673 0.183 7 0 "[ . 1]"
1 17 THR 0.235 0.049 9 0 "[ . 1]"
1 18 VAL 0.680 0.079 10 0 "[ . 1]"
1 19 THR 0.237 0.041 2 0 "[ . 1]"
1 20 ILE 1.171 0.064 2 0 "[ . 1]"
1 21 THR 0.709 0.090 9 0 "[ . 1]"
1 22 CYS 0.854 0.108 1 0 "[ . 1]"
1 23 PRO 0.038 0.020 1 0 "[ . 1]"
1 24 SER 1.976 0.151 10 0 "[ . 1]"
1 25 SER 1.089 0.151 10 0 "[ . 1]"
1 26 GLY 0.271 0.064 5 0 "[ . 1]"
1 27 ASP 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 0.404 0.049 7 0 "[ . 1]"
1 29 ILE 3.211 0.108 1 0 "[ . 1]"
1 30 LYS 0.593 0.041 1 0 "[ . 1]"
1 31 TRP 2.254 0.092 6 0 "[ . 1]"
1 32 LYS 1.008 0.074 7 0 "[ . 1]"
1 33 PRO 0.283 0.068 10 0 "[ . 1]"
1 34 ASP 1.533 0.092 3 0 "[ . 1]"
1 35 PRO 2.359 0.128 4 0 "[ . 1]"
1 36 ALA 1.370 0.128 4 0 "[ . 1]"
1 37 LEU 0.690 0.085 8 0 "[ . 1]"
1 38 GLY 1.247 0.094 7 0 "[ . 1]"
1 39 ASP 1.475 0.132 10 0 "[ . 1]"
1 40 ASN 0.825 0.186 5 0 "[ . 1]"
1 41 ASN 1.803 0.186 5 0 "[ . 1]"
1 42 LYS 0.967 0.130 10 0 "[ . 1]"
1 43 TYR 3.903 0.132 10 0 "[ . 1]"
1 44 ILE 0.872 0.063 3 0 "[ . 1]"
1 45 ILE 3.602 0.108 10 0 "[ . 1]"
1 46 GLN 1.942 0.115 10 0 "[ . 1]"
1 47 ASN 0.074 0.017 3 0 "[ . 1]"
1 48 HIS 1.375 0.086 10 0 "[ . 1]"
1 49 ASP 0.478 0.108 10 0 "[ . 1]"
1 50 SER 0.218 0.071 10 0 "[ . 1]"
1 51 SER 2.672 0.279 8 0 "[ . 1]"
1 52 PRO 2.288 0.173 10 0 "[ . 1]"
1 53 LEU 6.735 0.237 1 0 "[ . 1]"
1 54 THR 3.372 0.179 3 0 "[ . 1]"
1 55 VAL 2.071 0.139 5 0 "[ . 1]"
1 56 SER 0.636 0.139 5 0 "[ . 1]"
1 57 CYS 1.459 0.117 5 0 "[ . 1]"
1 58 THR 2.017 0.117 5 0 "[ . 1]"
1 59 ALA 1.678 0.070 7 0 "[ . 1]"
1 60 GLY 0.000 0.000 . 0 "[ . 1]"
1 61 ASP 0.002 0.001 6 0 "[ . 1]"
1 62 GLN 0.063 0.012 10 0 "[ . 1]"
1 63 GLU 0.470 0.070 5 0 "[ . 1]"
1 64 HIS 0.126 0.018 8 0 "[ . 1]"
1 65 THR 0.253 0.037 9 0 "[ . 1]"
1 66 MET 1.020 0.095 9 0 "[ . 1]"
1 67 TYR 3.164 0.163 4 0 "[ . 1]"
1 68 LEU 3.585 0.237 1 0 "[ . 1]"
1 69 ASN 2.528 0.279 8 0 "[ . 1]"
1 70 ALA 1.135 0.113 2 0 "[ . 1]"
1 71 LYS 0.000 0.000 . 0 "[ . 1]"
1 72 VAL 1.065 0.083 5 0 "[ . 1]"
1 73 GLY 0.000 0.000 . 0 "[ . 1]"
1 75 ALA 0.289 0.110 3 0 "[ . 1]"
1 76 ASP 0.959 0.110 3 0 "[ . 1]"
1 77 ASP 0.534 0.104 3 0 "[ . 1]"
1 98 SER 0.012 0.004 8 0 "[ . 1]"
1 99 VAL 0.047 0.016 5 0 "[ . 1]"
1 100 ALA 0.086 0.030 6 0 "[ . 1]"
1 101 LYS 0.257 0.049 6 0 "[ . 1]"
1 102 LEU 0.501 0.049 6 0 "[ . 1]"
1 103 GLY 0.000 0.000 . 0 "[ . 1]"
1 105 HIS 0.127 0.076 6 0 "[ . 1]"
1 106 GLY 0.127 0.076 6 0 "[ . 1]"
1 107 LEU 0.077 0.022 8 0 "[ . 1]"
1 108 SER 1.171 0.164 3 0 "[ . 1]"
1 109 MET 3.592 0.207 3 0 "[ . 1]"
1 110 SER 3.770 0.207 3 0 "[ . 1]"
1 111 VAL 2.119 0.113 9 0 "[ . 1]"
1 112 LYS 1.393 0.098 2 0 "[ . 1]"
1 113 GLU 1.802 0.082 4 0 "[ . 1]"
1 114 VAL 2.669 0.143 5 0 "[ . 1]"
1 115 SER 2.767 0.143 5 0 "[ . 1]"
1 116 GLY 1.873 0.101 9 0 "[ . 1]"
1 117 LYS 5.824 0.161 5 0 "[ . 1]"
1 118 VAL 0.957 0.071 2 0 "[ . 1]"
1 119 PHE 4.196 0.182 2 0 "[ . 1]"
1 120 LEU 1.053 0.182 2 0 "[ . 1]"
1 121 GLN 0.055 0.055 2 0 "[ . 1]"
1 122 CYS 0.747 0.102 9 0 "[ . 1]"
1 123 GLN 1.138 0.172 9 0 "[ . 1]"
1 124 GLU 0.178 0.049 8 0 "[ . 1]"
1 132 TYR 0.306 0.071 3 0 "[ . 1]"
1 133 LEU 1.098 0.074 3 0 "[ . 1]"
1 134 TRP 4.292 0.146 2 0 "[ . 1]"
1 135 LYS 5.109 0.164 6 0 "[ . 1]"
1 136 LYS 0.636 0.150 2 0 "[ . 1]"
1 137 GLY 0.012 0.012 8 0 "[ . 1]"
1 138 LYS 0.132 0.037 5 0 "[ . 1]"
1 139 GLU 2.281 0.117 6 0 "[ . 1]"
1 140 GLU 2.642 0.156 6 0 "[ . 1]"
1 141 LEU 5.373 0.223 6 0 "[ . 1]"
1 142 GLY 0.467 0.095 6 0 "[ . 1]"
1 143 ASN 0.794 0.223 6 0 "[ . 1]"
1 144 MET 1.389 0.077 2 0 "[ . 1]"
1 145 ARG 0.035 0.013 6 0 "[ . 1]"
1 146 GLN 0.299 0.035 2 0 "[ . 1]"
1 147 LEU 2.004 0.133 7 0 "[ . 1]"
1 148 ASP 1.510 0.133 7 0 "[ . 1]"
1 149 LEU 3.607 0.146 2 0 "[ . 1]"
1 150 GLY 0.143 0.025 6 0 "[ . 1]"
1 151 ALA 1.439 0.100 5 0 "[ . 1]"
1 152 ILE 3.075 0.135 5 0 "[ . 1]"
1 153 TYR 0.562 0.070 5 0 "[ . 1]"
1 154 ASP 0.000 0.000 . 0 "[ . 1]"
1 155 ASP 0.968 0.100 5 0 "[ . 1]"
1 156 PRO 3.070 0.231 5 0 "[ . 1]"
1 157 ARG 1.313 0.231 5 0 "[ . 1]"
1 158 GLY 0.591 0.148 2 0 "[ . 1]"
1 160 TYR 2.882 0.150 2 0 "[ . 1]"
1 161 THR 1.232 0.211 8 0 "[ . 1]"
1 162 CYS 1.271 0.211 8 0 "[ . 1]"
1 163 GLN 1.050 0.172 9 0 "[ . 1]"
1 164 ARG 0.045 0.016 6 0 "[ . 1]"
1 165 ASP 1.129 0.103 6 0 "[ . 1]"
1 166 GLU 0.174 0.033 9 0 "[ . 1]"
1 167 ASN 3.269 0.164 6 0 "[ . 1]"
1 168 VAL 4.943 0.159 9 0 "[ . 1]"
1 169 ASN 2.049 0.159 9 0 "[ . 1]"
1 170 SER 0.883 0.070 5 0 "[ . 1]"
1 171 THR 0.000 0.000 . 0 "[ . 1]"
1 172 LEU 3.889 0.219 3 0 "[ . 1]"
1 173 HIS 0.329 0.219 3 0 "[ . 1]"
1 176 TYR 4.687 0.236 7 0 "[ . 1]"
1 177 ARG 2.713 0.236 7 0 "[ . 1]"
1 178 MET 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 156 PRO HG2 1 176 TYR QE 3.500 . 3.500 3.346 3.017 3.563 0.063 5 0 "[ . 1]" 1
2 1 156 PRO HG2 1 176 TYR QD 4.800 . 4.800 4.791 4.073 4.893 0.093 3 0 "[ . 1]" 1
3 1 156 PRO HD2 1 176 TYR QD 4.800 . 4.800 4.292 3.581 4.762 . 0 0 "[ . 1]" 1
4 1 152 ILE MD 1 176 TYR QD 4.800 . 4.800 4.878 4.852 4.935 0.135 5 0 "[ . 1]" 1
5 1 118 VAL MG2 1 176 TYR QD 4.800 . 4.800 4.620 4.288 4.814 0.014 2 0 "[ . 1]" 1
6 1 118 VAL MG2 1 176 TYR QE 3.800 . 3.800 3.294 2.906 3.761 . 0 0 "[ . 1]" 1
7 1 118 VAL MG1 1 176 TYR QD 4.800 . 4.800 3.930 3.653 4.230 . 0 0 "[ . 1]" 1
8 1 118 VAL MG1 1 176 TYR QE 3.800 . 3.800 2.693 2.161 3.390 . 0 0 "[ . 1]" 1
9 1 67 TYR QE 1 109 MET HG2 5.500 . 5.500 5.274 4.944 5.527 0.027 8 0 "[ . 1]" 1
10 1 52 PRO HG2 1 111 VAL MG2 5.370 . 5.370 4.698 4.049 5.051 . 0 0 "[ . 1]" 1
11 1 54 THR HA 1 110 SER HA 5.220 . 5.220 4.751 4.643 4.919 . 0 0 "[ . 1]" 1
12 1 54 THR HB 1 110 SER HA 2.780 . 2.780 2.893 2.840 2.959 0.179 3 0 "[ . 1]" 1
13 1 54 THR HB 1 110 SER QB 5.110 . 5.110 3.742 2.975 4.276 . 0 0 "[ . 1]" 1
14 1 54 THR MG 1 172 LEU MD2 3.680 . 3.680 2.807 2.619 3.044 . 0 0 "[ . 1]" 1
15 1 54 THR MG 1 172 LEU MD1 4.320 . 4.320 4.363 4.347 4.389 0.069 7 0 "[ . 1]" 1
16 1 63 GLU HA 1 170 SER HA 4.250 . 4.250 4.290 4.271 4.320 0.070 5 0 "[ . 1]" 1
17 1 63 GLU HB2 1 170 SER HA 4.210 . 4.210 2.615 2.296 2.944 . 0 0 "[ . 1]" 1
18 1 65 THR HA 1 172 LEU MD2 5.470 . 5.470 3.922 3.721 4.229 . 0 0 "[ . 1]" 1
19 1 65 THR HB 1 172 LEU MD2 4.240 . 4.240 2.084 1.944 2.421 . 0 0 "[ . 1]" 1
20 1 65 THR HB 1 172 LEU HA 4.090 . 4.090 2.464 2.210 2.868 . 0 0 "[ . 1]" 1
21 1 65 THR MG 1 172 LEU MD2 3.870 . 3.870 3.413 3.162 3.712 . 0 0 "[ . 1]" 1
22 1 65 THR MG 1 172 LEU HA 5.500 . 5.500 3.859 3.733 3.972 . 0 0 "[ . 1]" 1
23 1 66 MET HA 1 172 LEU MD2 4.490 . 4.490 2.120 1.911 2.508 . 0 0 "[ . 1]" 1
24 1 66 MET HB3 1 172 LEU MD2 4.870 . 4.870 4.400 4.171 4.711 . 0 0 "[ . 1]" 1
25 1 66 MET ME 1 172 LEU MD2 4.530 . 4.530 4.538 4.436 4.579 0.049 3 0 "[ . 1]" 1
26 1 66 MET ME 1 173 HIS HB3 4.130 . 4.130 1.900 1.826 1.972 . 0 0 "[ . 1]" 1
27 1 66 MET H 1 172 LEU MD2 5.140 . 5.140 2.905 2.635 3.282 . 0 0 "[ . 1]" 1
28 1 67 TYR HA 1 172 LEU MD1 5.340 . 5.340 4.886 4.555 5.138 . 0 0 "[ . 1]" 1
29 1 67 TYR HA 1 172 LEU MD2 5.500 . 5.500 3.208 2.893 3.474 . 0 0 "[ . 1]" 1
30 1 67 TYR HB3 1 111 VAL MG2 5.500 . 5.500 5.060 4.544 5.534 0.034 5 0 "[ . 1]" 1
31 1 67 TYR HB3 1 111 VAL MG1 5.280 . 5.280 4.614 4.043 5.295 0.015 9 0 "[ . 1]" 1
32 1 67 TYR HB3 1 172 LEU MD1 5.500 . 5.500 4.713 4.358 4.977 . 0 0 "[ . 1]" 1
33 1 67 TYR HB3 1 172 LEU MD2 4.260 . 4.260 4.163 3.845 4.281 0.021 9 0 "[ . 1]" 1
34 1 67 TYR HB2 1 111 VAL MG1 5.060 . 5.060 3.893 3.453 4.470 . 0 0 "[ . 1]" 1
35 1 67 TYR HB2 1 172 LEU MD2 5.470 . 5.470 2.713 2.449 2.859 . 0 0 "[ . 1]" 1
36 1 67 TYR HB2 1 172 LEU MD1 4.430 . 4.430 3.291 2.968 3.528 . 0 0 "[ . 1]" 1
37 1 67 TYR QD 1 111 VAL MG2 4.860 . 4.860 3.592 3.261 3.888 . 0 0 "[ . 1]" 1
38 1 67 TYR QD 1 111 VAL MG1 4.540 . 4.540 2.750 2.561 2.998 . 0 0 "[ . 1]" 1
39 1 67 TYR QD 1 172 LEU MD2 5.100 . 5.100 2.507 2.317 2.744 . 0 0 "[ . 1]" 1
40 1 67 TYR QD 1 172 LEU HG 3.940 . 3.940 3.772 3.514 3.946 0.006 9 0 "[ . 1]" 1
41 1 67 TYR QD 1 172 LEU MD1 3.350 . 3.350 3.422 3.390 3.446 0.096 1 0 "[ . 1]" 1
42 1 67 TYR QE 1 111 VAL HB 5.500 . 5.500 4.378 4.267 4.513 . 0 0 "[ . 1]" 1
43 1 67 TYR QE 1 111 VAL MG2 4.130 . 4.130 2.601 2.442 2.712 . 0 0 "[ . 1]" 1
44 1 67 TYR QE 1 111 VAL MG1 4.660 . 4.660 2.001 1.788 2.261 0.012 9 0 "[ . 1]" 1
45 1 67 TYR QE 1 120 LEU MD1 5.500 . 5.500 4.923 4.397 5.529 0.029 2 0 "[ . 1]" 1
46 1 67 TYR QE 1 172 LEU MD2 5.500 . 5.500 4.427 4.180 4.642 . 0 0 "[ . 1]" 1
47 1 67 TYR QE 1 172 LEU HG 5.090 . 5.090 5.093 5.001 5.184 0.094 5 0 "[ . 1]" 1
48 1 67 TYR H 1 172 LEU MD1 5.070 . 5.070 3.870 3.470 4.275 . 0 0 "[ . 1]" 1
49 1 67 TYR H 1 172 LEU MD2 4.320 . 4.320 2.700 2.132 3.070 . 0 0 "[ . 1]" 1
50 1 67 TYR H 1 173 HIS HB3 5.350 . 5.350 3.536 2.872 4.179 . 0 0 "[ . 1]" 1
51 1 68 LEU H 1 172 LEU MD2 5.240 . 5.240 5.005 4.826 5.241 0.001 7 0 "[ . 1]" 1
52 1 69 ASN H 1 176 TYR HA 5.240 . 5.240 4.277 3.584 4.677 . 0 0 "[ . 1]" 1
53 1 70 ALA MB 1 176 TYR HA 5.500 . 5.500 5.578 5.547 5.613 0.113 2 0 "[ . 1]" 1
54 1 70 ALA MB 1 177 ARG H 5.200 . 5.200 5.227 5.203 5.252 0.052 7 0 "[ . 1]" 1
55 1 70 ALA MB 1 177 ARG QB 5.120 . 5.120 4.895 3.793 5.154 0.034 1 0 "[ . 1]" 1
56 1 5 GLY QA 1 6 GLN HG3 4.820 . 4.820 4.704 4.172 4.943 0.123 4 0 "[ . 1]" 1
57 1 6 GLN HA 1 6 GLN HG3 3.740 . 3.740 3.236 2.040 3.827 0.087 3 0 "[ . 1]" 1
58 1 6 GLN HB3 1 6 GLN HG3 2.800 . 2.800 2.953 2.854 2.989 0.189 8 0 "[ . 1]" 1
59 1 6 GLN H 1 6 GLN HG3 5.180 . 5.180 3.542 2.309 4.447 . 0 0 "[ . 1]" 1
60 1 6 GLN HA 1 7 GLU H 3.580 . 3.580 3.130 2.298 3.552 . 0 0 "[ . 1]" 1
61 1 6 GLN HA 1 7 GLU QG 4.820 . 4.820 4.272 3.710 4.826 0.006 3 0 "[ . 1]" 1
62 1 6 GLN HB2 1 7 GLU H 3.640 . 3.640 3.137 1.985 3.667 0.027 10 0 "[ . 1]" 1
63 1 6 GLN HG2 1 7 GLU HA 5.290 . 5.290 5.234 4.837 5.401 0.111 4 0 "[ . 1]" 1
64 1 6 GLN H 1 7 GLU HA 4.650 . 4.650 4.486 4.181 4.701 0.051 4 0 "[ . 1]" 1
65 1 6 GLN HG3 1 8 GLU H 5.480 . 5.480 3.981 2.650 5.353 . 0 0 "[ . 1]" 1
66 1 6 GLN HG2 1 66 MET ME 5.150 . 5.150 4.675 3.631 5.189 0.039 3 0 "[ . 1]" 1
67 1 7 GLU HA 1 7 GLU QG 3.370 . 3.370 2.576 2.136 3.336 . 0 0 "[ . 1]" 1
68 1 7 GLU H 1 7 GLU QG 3.930 . 3.930 2.772 2.040 3.667 . 0 0 "[ . 1]" 1
69 1 7 GLU HA 1 8 GLU H 2.760 . 2.760 2.580 2.327 2.767 0.007 3 0 "[ . 1]" 1
70 1 7 GLU HB2 1 8 GLU H 5.400 . 5.400 4.196 2.823 4.526 . 0 0 "[ . 1]" 1
71 1 7 GLU QG 1 8 GLU H 4.530 . 4.530 4.403 4.014 4.531 0.001 6 0 "[ . 1]" 1
72 1 7 GLU H 1 8 GLU H 4.860 . 4.860 3.200 2.384 4.320 . 0 0 "[ . 1]" 1
73 1 7 GLU HA 1 10 ALA H 4.120 . 4.120 3.400 3.142 4.199 0.079 1 0 "[ . 1]" 1
74 1 7 GLU HA 1 10 ALA MB 4.720 . 4.720 4.738 4.718 4.757 0.037 2 0 "[ . 1]" 1
75 1 7 GLU QG 1 10 ALA MB 5.500 . 5.500 4.588 2.605 5.505 0.005 1 0 "[ . 1]" 1
76 1 7 GLU HA 1 66 MET ME 4.890 . 4.890 3.719 2.779 4.900 0.010 1 0 "[ . 1]" 1
77 1 7 GLU QG 1 66 MET ME 5.100 . 5.100 4.872 2.847 5.144 0.044 2 0 "[ . 1]" 1
78 1 8 GLU HA 1 8 GLU HG3 3.880 . 3.880 2.930 2.159 3.573 . 0 0 "[ . 1]" 1
79 1 8 GLU H 1 8 GLU HG3 3.500 . 3.500 2.810 2.058 3.498 . 0 0 "[ . 1]" 1
80 1 8 GLU H 1 8 GLU HB2 3.100 . 3.100 2.338 2.127 2.727 . 0 0 "[ . 1]" 1
81 1 8 GLU HB3 1 9 PHE QE 5.360 . 5.360 4.890 4.151 5.381 0.021 1 0 "[ . 1]" 1
82 1 8 GLU HB2 1 66 MET ME 4.760 . 4.760 2.546 2.047 3.876 . 0 0 "[ . 1]" 1
83 1 8 GLU H 1 66 MET ME 3.830 . 3.830 2.644 1.939 3.832 0.002 1 0 "[ . 1]" 1
84 1 9 PHE H 1 9 PHE QD 4.840 . 4.840 2.717 2.156 3.236 . 0 0 "[ . 1]" 1
85 1 9 PHE CG 1 20 ILE N 7.500 . 7.500 7.503 7.416 7.539 0.039 3 0 "[ . 1]" 1
86 1 9 PHE CZ 1 31 TRP N 9.000 . 9.000 8.965 8.790 9.029 0.029 6 0 "[ . 1]" 1
87 1 9 PHE CZ 1 55 VAL N 7.000 . 7.000 6.398 6.175 6.713 . 0 0 "[ . 1]" 1
88 1 9 PHE CZ 1 56 SER N 7.000 . 7.000 4.852 4.571 5.520 . 0 0 "[ . 1]" 1
89 1 9 PHE CZ 1 57 CYS N 7.000 . 7.000 4.206 3.867 4.671 . 0 0 "[ . 1]" 1
90 1 9 PHE CZ 1 58 THR N 7.000 . 7.000 6.811 6.588 7.004 0.004 1 0 "[ . 1]" 1
91 1 9 PHE QE 1 64 HIS H 5.340 . 5.340 4.918 4.402 5.256 . 0 0 "[ . 1]" 1
92 1 9 PHE QE 1 64 HIS HA 5.500 . 5.500 4.126 3.565 4.553 . 0 0 "[ . 1]" 1
93 1 10 ALA HA 1 11 VAL H 3.000 . 3.000 2.232 2.142 2.313 . 0 0 "[ . 1]" 1
94 1 10 ALA MB 1 11 VAL H 3.680 . 3.680 3.460 2.811 3.636 . 0 0 "[ . 1]" 1
95 1 10 ALA MB 1 11 VAL HA 5.500 . 5.500 4.222 3.897 4.343 . 0 0 "[ . 1]" 1
96 1 10 ALA MB 1 11 VAL MG1 5.390 . 5.390 4.679 4.372 4.797 . 0 0 "[ . 1]" 1
97 1 10 ALA MB 1 11 VAL MG2 4.600 . 4.600 4.515 4.116 4.614 0.014 3 0 "[ . 1]" 1
98 1 10 ALA H 1 11 VAL H 4.560 . 4.560 3.619 3.391 4.282 . 0 0 "[ . 1]" 1
99 1 10 ALA H 1 11 VAL MG1 5.500 . 5.500 4.421 4.328 4.531 . 0 0 "[ . 1]" 1
100 1 10 ALA MB 1 12 GLU QB 5.500 . 5.500 4.930 4.620 5.155 . 0 0 "[ . 1]" 1
101 1 10 ALA MB 1 12 GLU H 5.420 . 5.420 5.315 5.082 5.452 0.032 7 0 "[ . 1]" 1
102 1 10 ALA H 1 21 THR H 5.000 . 5.000 5.018 4.917 5.090 0.090 9 0 "[ . 1]" 1
103 1 10 ALA MB 1 21 THR H 4.240 . 4.240 3.341 2.969 3.689 . 0 0 "[ . 1]" 1
104 1 10 ALA MB 1 21 THR HB 3.450 . 3.450 2.993 1.967 3.497 0.047 2 0 "[ . 1]" 1
105 1 10 ALA MB 1 21 THR MG 2.920 . 2.920 2.221 1.765 2.927 0.035 6 0 "[ . 1]" 1
106 1 10 ALA H 1 21 THR MG 4.880 . 4.880 4.324 3.746 4.918 0.038 4 0 "[ . 1]" 1
107 1 11 VAL HA 1 11 VAL MG1 3.740 . 3.740 2.190 2.076 2.274 . 0 0 "[ . 1]" 1
108 1 11 VAL H 1 11 VAL MG1 3.930 . 3.930 3.002 2.720 3.402 . 0 0 "[ . 1]" 1
109 1 11 VAL H 1 11 VAL HB 4.060 . 4.060 3.627 3.596 3.753 . 0 0 "[ . 1]" 1
110 1 11 VAL HA 1 12 GLU H 3.540 . 3.540 2.204 2.180 2.250 . 0 0 "[ . 1]" 1
111 1 11 VAL HA 1 12 GLU QB 4.820 . 4.820 4.050 3.911 4.247 . 0 0 "[ . 1]" 1
112 1 11 VAL HB 1 12 GLU HA 4.170 . 4.170 4.224 4.201 4.239 0.069 6 0 "[ . 1]" 1
113 1 11 VAL MG1 1 12 GLU H 4.090 . 4.090 3.533 3.440 3.633 . 0 0 "[ . 1]" 1
114 1 11 VAL MG2 1 12 GLU H 5.500 . 5.500 4.050 3.941 4.125 . 0 0 "[ . 1]" 1
115 1 11 VAL MG1 1 18 VAL MG2 3.680 . 3.680 2.981 2.649 3.324 . 0 0 "[ . 1]" 1
116 1 11 VAL MG1 1 18 VAL MG1 4.860 . 4.860 4.506 4.065 4.878 0.018 10 0 "[ . 1]" 1
117 1 11 VAL MG1 1 19 THR H 5.500 . 5.500 5.247 4.798 5.508 0.008 8 0 "[ . 1]" 1
118 1 11 VAL HA 1 20 ILE MD 5.500 . 5.500 4.899 4.623 5.094 . 0 0 "[ . 1]" 1
119 1 11 VAL MG1 1 20 ILE HA 5.030 . 5.030 2.939 2.314 3.319 . 0 0 "[ . 1]" 1
120 1 11 VAL MG1 1 20 ILE QG 4.710 . 4.710 1.924 1.800 2.198 . 0 0 "[ . 1]" 1
121 1 11 VAL MG1 1 20 ILE MD 3.270 . 3.270 3.193 2.927 3.290 0.020 5 0 "[ . 1]" 1
122 1 11 VAL MG1 1 20 ILE MG 5.070 . 5.070 2.028 1.810 2.325 . 0 0 "[ . 1]" 1
123 1 11 VAL MG2 1 20 ILE QG 5.500 . 5.500 4.386 4.124 4.815 . 0 0 "[ . 1]" 1
124 1 11 VAL HA 1 21 THR H 4.980 . 4.980 3.781 3.394 4.182 . 0 0 "[ . 1]" 1
125 1 11 VAL MG1 1 21 THR H 5.500 . 5.500 4.209 3.580 4.647 . 0 0 "[ . 1]" 1
126 1 12 GLU H 1 13 ILE HA 4.590 . 4.590 4.597 4.579 4.614 0.024 1 0 "[ . 1]" 1
127 1 12 GLU H 1 18 VAL MG2 5.500 . 5.500 2.573 2.293 3.035 . 0 0 "[ . 1]" 1
128 1 12 GLU QB 1 19 THR H 4.780 . 4.780 3.106 2.957 3.336 . 0 0 "[ . 1]" 1
129 1 12 GLU QB 1 19 THR HB 4.020 . 4.020 3.879 3.149 4.061 0.041 2 0 "[ . 1]" 1
130 1 12 GLU QB 1 19 THR MG 5.340 . 5.340 3.415 1.797 4.489 0.003 5 0 "[ . 1]" 1
131 1 12 GLU H 1 19 THR HB 4.910 . 4.910 4.631 3.951 4.928 0.018 5 0 "[ . 1]" 1
132 1 12 GLU H 1 20 ILE HA 4.640 . 4.640 3.631 3.369 3.881 . 0 0 "[ . 1]" 1
133 1 13 ILE HA 1 13 ILE MD 4.270 . 4.270 3.685 3.356 3.940 . 0 0 "[ . 1]" 1
134 1 13 ILE H 1 13 ILE MD 4.990 . 4.990 2.632 1.930 3.616 . 0 0 "[ . 1]" 1
135 1 13 ILE HA 1 14 SER H 3.160 . 3.160 2.210 2.140 2.292 . 0 0 "[ . 1]" 1
136 1 13 ILE MG 1 14 SER H 3.910 . 3.910 2.297 1.928 2.805 . 0 0 "[ . 1]" 1
137 1 13 ILE MG 1 14 SER HB2 5.500 . 5.500 4.634 4.429 4.896 . 0 0 "[ . 1]" 1
138 1 13 ILE MG 1 14 SER HA 3.740 . 3.740 3.565 3.364 3.749 0.009 5 0 "[ . 1]" 1
139 1 13 ILE MG 1 17 THR H 5.180 . 5.180 3.862 3.309 4.134 . 0 0 "[ . 1]" 1
140 1 13 ILE MG 1 17 THR MG 5.420 . 5.420 5.366 5.204 5.430 0.010 3 0 "[ . 1]" 1
141 1 13 ILE HA 1 18 VAL HA 4.640 . 4.640 2.073 1.904 2.365 . 0 0 "[ . 1]" 1
142 1 13 ILE HA 1 18 VAL MG2 5.340 . 5.340 2.599 2.254 2.939 . 0 0 "[ . 1]" 1
143 1 13 ILE HA 1 18 VAL MG1 4.730 . 4.730 3.683 3.624 3.753 . 0 0 "[ . 1]" 1
144 1 13 ILE MD 1 18 VAL HB 4.040 . 4.040 3.955 3.677 4.062 0.022 1 0 "[ . 1]" 1
145 1 13 ILE MG 1 18 VAL HA 5.010 . 5.010 3.554 3.404 3.814 . 0 0 "[ . 1]" 1
146 1 13 ILE MG 1 18 VAL MG2 3.750 . 3.750 3.416 3.208 3.694 . 0 0 "[ . 1]" 1
147 1 13 ILE MG 1 18 VAL MG1 3.660 . 3.660 3.211 3.046 3.415 . 0 0 "[ . 1]" 1
148 1 13 ILE MG 1 19 THR H 5.500 . 5.500 5.211 5.095 5.393 . 0 0 "[ . 1]" 1
149 1 13 ILE HA 1 45 ILE MD 5.500 . 5.500 5.558 5.531 5.589 0.089 5 0 "[ . 1]" 1
150 1 13 ILE MG 1 72 VAL HB 5.160 . 5.160 4.138 3.673 4.684 . 0 0 "[ . 1]" 1
151 1 13 ILE HB 1 76 ASP HB2 4.300 . 4.300 2.183 1.972 2.730 . 0 0 "[ . 1]" 1
152 1 13 ILE HB 1 76 ASP HB3 4.850 . 4.850 2.485 1.898 3.703 . 0 0 "[ . 1]" 1
153 1 13 ILE HB 1 76 ASP HA 4.270 . 4.270 4.286 4.274 4.334 0.064 3 0 "[ . 1]" 1
154 1 13 ILE MD 1 76 ASP H 4.930 . 4.930 4.036 2.454 4.937 0.007 7 0 "[ . 1]" 1
155 1 13 ILE MD 1 76 ASP HB3 4.010 . 4.010 2.534 1.918 3.693 . 0 0 "[ . 1]" 1
156 1 13 ILE MG 1 76 ASP HA 5.200 . 5.200 4.482 4.054 4.804 . 0 0 "[ . 1]" 1
157 1 13 ILE HB 1 77 ASP HA 4.740 . 4.740 3.872 3.349 4.747 0.007 1 0 "[ . 1]" 1
158 1 13 ILE MG 1 77 ASP HA 5.500 . 5.500 3.622 2.964 4.756 . 0 0 "[ . 1]" 1
159 1 14 SER H 1 14 SER HB2 4.000 . 4.000 2.822 2.502 3.117 . 0 0 "[ . 1]" 1
160 1 14 SER H 1 14 SER HB3 4.070 . 4.070 3.622 2.994 3.907 . 0 0 "[ . 1]" 1
161 1 14 SER HB3 1 17 THR H 5.260 . 5.260 4.338 3.251 4.885 . 0 0 "[ . 1]" 1
162 1 14 SER HB3 1 17 THR HB 4.660 . 4.660 3.833 2.200 4.656 . 0 0 "[ . 1]" 1
163 1 14 SER HB2 1 17 THR HB 4.530 . 4.530 3.744 3.166 4.532 0.002 7 0 "[ . 1]" 1
164 1 14 SER HB2 1 17 THR H 5.320 . 5.320 4.360 3.736 4.972 . 0 0 "[ . 1]" 1
165 1 14 SER HB2 1 17 THR MG 5.330 . 5.330 4.170 3.837 4.841 . 0 0 "[ . 1]" 1
166 1 14 SER H 1 17 THR HB 4.650 . 4.650 4.243 3.789 4.470 . 0 0 "[ . 1]" 1
167 1 14 SER H 1 17 THR MG 5.300 . 5.300 4.538 4.356 4.836 . 0 0 "[ . 1]" 1
168 1 14 SER HB2 1 18 VAL HA 5.340 . 5.340 4.036 3.716 4.406 . 0 0 "[ . 1]" 1
169 1 14 SER H 1 18 VAL MG2 5.430 . 5.430 4.293 3.974 4.645 . 0 0 "[ . 1]" 1
170 1 14 SER H 1 18 VAL HA 4.640 . 4.640 2.811 2.453 3.309 . 0 0 "[ . 1]" 1
171 1 14 SER H 1 18 VAL MG1 5.500 . 5.500 4.362 4.170 4.494 . 0 0 "[ . 1]" 1
172 1 14 SER HA 1 77 ASP HA 2.810 . 2.810 2.537 1.988 2.823 0.013 5 0 "[ . 1]" 1
173 1 15 GLY HA3 1 16 THR HA 5.140 . 5.140 4.654 4.370 5.323 0.183 7 0 "[ . 1]" 1
174 1 15 GLY HA3 1 16 THR MG 4.660 . 4.660 4.150 3.798 4.401 . 0 0 "[ . 1]" 1
175 1 15 GLY HA2 1 16 THR MG 5.500 . 5.500 4.020 3.067 4.589 . 0 0 "[ . 1]" 1
176 1 15 GLY HA3 1 17 THR H 4.580 . 4.580 3.707 3.512 4.133 . 0 0 "[ . 1]" 1
177 1 15 GLY HA2 1 17 THR H 4.420 . 4.420 4.304 3.824 4.469 0.049 9 0 "[ . 1]" 1
178 1 16 THR HA 1 16 THR MG 3.280 . 3.280 2.305 2.074 2.576 . 0 0 "[ . 1]" 1
179 1 16 THR H 1 16 THR HB 3.940 . 3.940 3.676 3.517 3.981 0.041 10 0 "[ . 1]" 1
180 1 16 THR H 1 16 THR MG 4.270 . 4.270 2.940 2.377 3.270 . 0 0 "[ . 1]" 1
181 1 16 THR H 1 17 THR H 3.410 . 3.410 2.521 2.322 2.792 . 0 0 "[ . 1]" 1
182 1 16 THR HB 1 47 ASN H 3.660 . 3.660 3.614 3.404 3.677 0.017 3 0 "[ . 1]" 1
183 1 16 THR HB 1 47 ASN HA 4.510 . 4.510 4.119 3.628 4.318 . 0 0 "[ . 1]" 1
184 1 16 THR MG 1 47 ASN HA 5.490 . 5.490 4.674 4.376 5.139 . 0 0 "[ . 1]" 1
185 1 16 THR HA 1 72 VAL HB 3.910 . 3.910 2.245 1.974 2.644 . 0 0 "[ . 1]" 1
186 1 16 THR HA 1 72 VAL QG 3.940 . 3.940 3.104 2.601 3.441 . 0 0 "[ . 1]" 1
187 1 16 THR HA 1 72 VAL HA 4.780 . 4.780 3.957 3.498 4.327 . 0 0 "[ . 1]" 1
188 1 16 THR MG 1 72 VAL HB 4.120 . 4.120 3.750 3.332 4.071 . 0 0 "[ . 1]" 1
189 1 16 THR MG 1 72 VAL QG 3.580 . 3.580 3.395 3.003 3.604 0.024 10 0 "[ . 1]" 1
190 1 16 THR H 1 72 VAL HB 5.500 . 5.500 4.694 3.893 5.356 . 0 0 "[ . 1]" 1
191 1 16 THR H 1 72 VAL QG 5.280 . 5.280 4.878 4.354 5.286 0.006 5 0 "[ . 1]" 1
192 1 16 THR MG 1 73 GLY QA 4.770 . 4.770 2.077 1.829 2.757 . 0 0 "[ . 1]" 1
193 1 16 THR MG 1 73 GLY H 5.500 . 5.500 3.788 3.519 4.178 . 0 0 "[ . 1]" 1
194 1 17 THR H 1 17 THR HB 2.940 . 2.940 2.762 2.739 2.796 . 0 0 "[ . 1]" 1
195 1 17 THR H 1 17 THR MG 4.220 . 4.220 3.914 3.903 3.931 . 0 0 "[ . 1]" 1
196 1 17 THR HA 1 18 VAL H 3.120 . 3.120 2.166 2.142 2.219 . 0 0 "[ . 1]" 1
197 1 17 THR HA 1 18 VAL MG1 5.040 . 5.040 3.361 3.169 3.562 . 0 0 "[ . 1]" 1
198 1 17 THR HB 1 18 VAL H 5.130 . 5.130 4.216 3.963 4.406 . 0 0 "[ . 1]" 1
199 1 17 THR MG 1 18 VAL H 3.770 . 3.770 2.702 2.033 3.270 . 0 0 "[ . 1]" 1
200 1 17 THR H 1 18 VAL H 4.750 . 4.750 4.189 3.932 4.378 . 0 0 "[ . 1]" 1
201 1 17 THR H 1 18 VAL MG1 5.500 . 5.500 4.662 4.387 4.844 . 0 0 "[ . 1]" 1
202 1 17 THR MG 1 19 THR HB 5.500 . 5.500 5.104 4.117 5.534 0.034 2 0 "[ . 1]" 1
203 1 17 THR HA 1 44 ILE MG 5.500 . 5.500 4.686 4.215 4.953 . 0 0 "[ . 1]" 1
204 1 17 THR MG 1 44 ILE MD 4.820 . 4.820 3.889 3.626 4.307 . 0 0 "[ . 1]" 1
205 1 17 THR MG 1 44 ILE MG 3.400 . 3.400 2.378 2.161 2.866 . 0 0 "[ . 1]" 1
206 1 17 THR HA 1 45 ILE HB 4.530 . 4.530 4.115 3.851 4.267 . 0 0 "[ . 1]" 1
207 1 17 THR HA 1 45 ILE MG 5.500 . 5.500 4.532 3.846 4.734 . 0 0 "[ . 1]" 1
208 1 17 THR MG 1 45 ILE H 4.330 . 4.330 3.532 3.229 4.164 . 0 0 "[ . 1]" 1
209 1 17 THR HA 1 46 GLN HB2 5.500 . 5.500 5.396 5.255 5.509 0.009 9 0 "[ . 1]" 1
210 1 17 THR HA 1 46 GLN HA 4.040 . 4.040 2.756 2.443 3.080 . 0 0 "[ . 1]" 1
211 1 17 THR MG 1 46 GLN HG3 4.590 . 4.590 2.195 1.972 2.919 . 0 0 "[ . 1]" 1
212 1 17 THR MG 1 46 GLN HG2 4.910 . 4.910 2.170 1.944 2.707 . 0 0 "[ . 1]" 1
213 1 17 THR MG 1 46 GLN HA 4.810 . 4.810 3.344 2.958 4.157 . 0 0 "[ . 1]" 1
214 1 17 THR HA 1 47 ASN H 5.250 . 5.250 4.104 3.276 4.572 . 0 0 "[ . 1]" 1
215 1 17 THR HA 1 72 VAL QG 5.500 . 5.500 3.362 3.071 3.878 . 0 0 "[ . 1]" 1
216 1 17 THR H 1 72 VAL QG 4.790 . 4.790 4.090 3.545 4.308 . 0 0 "[ . 1]" 1
217 1 18 VAL H 1 18 VAL MG2 4.320 . 4.320 3.787 3.745 3.829 . 0 0 "[ . 1]" 1
218 1 18 VAL H 1 18 VAL MG1 4.110 . 4.110 1.942 1.855 2.196 . 0 0 "[ . 1]" 1
219 1 18 VAL HB 1 19 THR H 4.570 . 4.570 4.004 3.818 4.270 . 0 0 "[ . 1]" 1
220 1 18 VAL MG2 1 19 THR H 3.980 . 3.980 2.468 2.101 3.095 . 0 0 "[ . 1]" 1
221 1 18 VAL MG2 1 19 THR HB 5.500 . 5.500 4.893 4.418 5.199 . 0 0 "[ . 1]" 1
222 1 18 VAL MG2 1 20 ILE HA 4.470 . 4.470 4.442 4.350 4.499 0.029 10 0 "[ . 1]" 1
223 1 18 VAL MG2 1 20 ILE QG 4.500 . 4.500 2.799 2.662 2.980 . 0 0 "[ . 1]" 1
224 1 18 VAL MG2 1 20 ILE H 5.370 . 5.370 4.617 4.433 4.876 . 0 0 "[ . 1]" 1
225 1 18 VAL MG2 1 20 ILE MD 3.840 . 3.840 3.456 3.110 3.850 0.010 4 0 "[ . 1]" 1
226 1 18 VAL H 1 44 ILE MG 5.040 . 5.040 4.425 4.186 4.635 . 0 0 "[ . 1]" 1
227 1 18 VAL HA 1 45 ILE HB 4.740 . 4.740 4.590 4.196 4.755 0.015 2 0 "[ . 1]" 1
228 1 18 VAL HB 1 45 ILE MD 4.370 . 4.370 4.190 4.077 4.266 . 0 0 "[ . 1]" 1
229 1 18 VAL MG1 1 45 ILE H 4.300 . 4.300 3.626 3.471 3.809 . 0 0 "[ . 1]" 1
230 1 18 VAL MG1 1 45 ILE HB 3.530 . 3.530 1.804 1.779 1.847 0.021 2 0 "[ . 1]" 1
231 1 18 VAL MG1 1 45 ILE MD 3.930 . 3.930 1.836 1.811 1.892 . 0 0 "[ . 1]" 1
232 1 18 VAL MG2 1 45 ILE HB 3.650 . 3.650 3.618 3.314 3.696 0.046 6 0 "[ . 1]" 1
233 1 18 VAL MG2 1 45 ILE MD 3.930 . 3.930 2.201 1.945 2.409 . 0 0 "[ . 1]" 1
234 1 18 VAL H 1 45 ILE HG13 4.900 . 4.900 4.302 4.125 4.492 . 0 0 "[ . 1]" 1
235 1 18 VAL H 1 45 ILE HB 5.040 . 5.040 2.493 2.103 2.591 . 0 0 "[ . 1]" 1
236 1 18 VAL H 1 45 ILE MG 4.700 . 4.700 3.797 3.255 4.037 . 0 0 "[ . 1]" 1
237 1 18 VAL H 1 45 ILE MD 5.000 . 5.000 4.108 4.007 4.210 . 0 0 "[ . 1]" 1
238 1 18 VAL H 1 46 GLN HG3 5.500 . 5.500 4.533 4.259 4.798 . 0 0 "[ . 1]" 1
239 1 18 VAL H 1 46 GLN HA 4.030 . 4.030 3.944 3.832 4.041 0.011 10 0 "[ . 1]" 1
240 1 18 VAL MG1 1 48 HIS QB 5.500 . 5.500 3.405 3.285 3.776 . 0 0 "[ . 1]" 1
241 1 18 VAL MG1 1 48 HIS H 4.910 . 4.910 4.656 4.073 4.786 . 0 0 "[ . 1]" 1
242 1 18 VAL MG1 1 48 HIS HD2 4.560 . 4.560 4.127 3.909 4.565 0.005 8 0 "[ . 1]" 1
243 1 18 VAL MG2 1 48 HIS QB 5.500 . 5.500 5.504 5.452 5.579 0.079 10 0 "[ . 1]" 1
244 1 18 VAL H 1 48 HIS QB 5.500 . 5.500 4.822 4.379 5.530 0.030 8 0 "[ . 1]" 1
245 1 18 VAL MG1 1 72 VAL QG 4.470 . 4.470 1.905 1.784 2.149 0.016 8 0 "[ . 1]" 1
246 1 18 VAL MG1 1 72 VAL HB 5.500 . 5.500 3.877 3.590 4.261 . 0 0 "[ . 1]" 1
247 1 18 VAL MG1 1 72 VAL HA 5.090 . 5.090 4.018 3.721 4.233 . 0 0 "[ . 1]" 1
248 1 19 THR H 1 19 THR HB 3.830 . 3.830 3.301 2.591 3.701 . 0 0 "[ . 1]" 1
249 1 19 THR H 1 19 THR MG 4.430 . 4.430 2.826 2.274 3.845 . 0 0 "[ . 1]" 1
250 1 19 THR HB 1 20 ILE H 5.100 . 5.100 3.117 2.425 4.023 . 0 0 "[ . 1]" 1
251 1 19 THR MG 1 20 ILE H 5.230 . 5.230 3.400 2.153 3.875 . 0 0 "[ . 1]" 1
252 1 19 THR H 1 20 ILE H 5.400 . 5.400 4.539 4.502 4.576 . 0 0 "[ . 1]" 1
253 1 20 ILE HA 1 20 ILE MD 4.620 . 4.620 3.930 3.876 3.999 . 0 0 "[ . 1]" 1
254 1 20 ILE H 1 20 ILE QG 4.940 . 4.940 2.738 2.559 2.854 . 0 0 "[ . 1]" 1
255 1 20 ILE H 1 20 ILE MG 4.700 . 4.700 3.957 3.917 4.010 . 0 0 "[ . 1]" 1
256 1 20 ILE H 1 20 ILE MD 4.640 . 4.640 3.431 3.107 4.014 . 0 0 "[ . 1]" 1
257 1 20 ILE MD 1 21 THR H 5.500 . 5.500 5.280 4.884 5.410 . 0 0 "[ . 1]" 1
258 1 20 ILE QG 1 21 THR H 5.500 . 5.500 4.386 4.175 4.519 . 0 0 "[ . 1]" 1
259 1 20 ILE MG 1 21 THR H 4.310 . 4.310 2.554 1.940 2.973 . 0 0 "[ . 1]" 1
260 1 20 ILE MG 1 21 THR HA 5.500 . 5.500 4.173 3.771 4.485 . 0 0 "[ . 1]" 1
261 1 20 ILE MD 1 31 TRP HZ3 5.500 . 5.500 3.891 3.459 4.192 . 0 0 "[ . 1]" 1
262 1 20 ILE MG 1 31 TRP HH2 3.780 . 3.780 2.827 2.433 3.012 . 0 0 "[ . 1]" 1
263 1 20 ILE MG 1 31 TRP HZ3 3.840 . 3.840 3.530 3.204 3.849 0.009 1 0 "[ . 1]" 1
264 1 20 ILE H 1 42 LYS HG3 3.870 . 3.870 2.923 2.669 3.266 . 0 0 "[ . 1]" 1
265 1 20 ILE HB 1 43 TYR H 4.830 . 4.830 3.175 2.890 3.493 . 0 0 "[ . 1]" 1
266 1 20 ILE HB 1 43 TYR QD 5.270 . 5.270 3.708 3.274 3.895 . 0 0 "[ . 1]" 1
267 1 20 ILE HB 1 43 TYR HB2 4.680 . 4.680 2.950 2.358 3.713 . 0 0 "[ . 1]" 1
268 1 20 ILE MD 1 43 TYR QD 4.460 . 4.460 1.875 1.823 1.930 . 0 0 "[ . 1]" 1
269 1 20 ILE MD 1 43 TYR HB2 5.100 . 5.100 3.272 2.978 4.079 . 0 0 "[ . 1]" 1
270 1 20 ILE MD 1 43 TYR H 5.500 . 5.500 4.185 3.923 4.484 . 0 0 "[ . 1]" 1
271 1 20 ILE MD 1 43 TYR QE 5.200 . 5.200 3.383 2.959 3.598 . 0 0 "[ . 1]" 1
272 1 20 ILE MG 1 43 TYR QD 5.500 . 5.500 4.592 4.319 4.829 . 0 0 "[ . 1]" 1
273 1 20 ILE MG 1 43 TYR H 5.500 . 5.500 4.312 3.987 4.609 . 0 0 "[ . 1]" 1
274 1 20 ILE MG 1 43 TYR HB2 5.250 . 5.250 4.146 3.575 4.627 . 0 0 "[ . 1]" 1
275 1 20 ILE H 1 43 TYR H 4.360 . 4.360 2.443 2.088 3.494 . 0 0 "[ . 1]" 1
276 1 20 ILE H 1 44 ILE HA 5.060 . 5.060 3.712 2.975 3.959 . 0 0 "[ . 1]" 1
277 1 20 ILE H 1 44 ILE MG 5.500 . 5.500 5.286 4.473 5.522 0.022 8 0 "[ . 1]" 1
278 1 20 ILE HA 1 45 ILE MD 5.500 . 5.500 5.057 4.761 5.290 . 0 0 "[ . 1]" 1
279 1 20 ILE MD 1 45 ILE HA 4.600 . 4.600 4.639 4.629 4.648 0.048 6 0 "[ . 1]" 1
280 1 20 ILE MD 1 45 ILE H 5.500 . 5.500 3.948 3.654 4.627 . 0 0 "[ . 1]" 1
281 1 20 ILE MD 1 45 ILE HB 4.500 . 4.500 4.130 3.957 4.297 . 0 0 "[ . 1]" 1
282 1 20 ILE MD 1 45 ILE HG12 4.280 . 4.280 2.454 2.258 2.699 . 0 0 "[ . 1]" 1
283 1 20 ILE MD 1 45 ILE MD 2.910 . 2.910 1.754 1.736 1.787 0.064 2 0 "[ . 1]" 1
284 1 20 ILE QG 1 45 ILE H 4.670 . 4.670 4.487 3.612 4.698 0.028 5 0 "[ . 1]" 1
285 1 20 ILE H 1 45 ILE H 5.500 . 5.500 4.494 4.309 4.907 . 0 0 "[ . 1]" 1
286 1 21 THR HA 1 21 THR MG 3.710 . 3.710 2.988 2.549 3.223 . 0 0 "[ . 1]" 1
287 1 21 THR H 1 21 THR MG 4.670 . 4.670 2.868 2.245 3.694 . 0 0 "[ . 1]" 1
288 1 21 THR HA 1 22 CYS HB2 5.110 . 5.110 4.365 4.294 4.451 . 0 0 "[ . 1]" 1
289 1 21 THR HA 1 22 CYS HB3 5.040 . 5.040 4.843 4.719 4.927 . 0 0 "[ . 1]" 1
290 1 21 THR MG 1 22 CYS H 4.010 . 4.010 2.961 1.984 3.585 . 0 0 "[ . 1]" 1
291 1 21 THR MG 1 22 CYS HA 5.500 . 5.500 3.872 3.650 4.031 . 0 0 "[ . 1]" 1
292 1 21 THR MG 1 22 CYS HB2 5.500 . 5.500 4.987 4.320 5.426 . 0 0 "[ . 1]" 1
293 1 21 THR MG 1 23 PRO HA 5.500 . 5.500 3.912 3.595 4.234 . 0 0 "[ . 1]" 1
294 1 21 THR HA 1 31 TRP HZ2 5.500 . 5.500 3.869 3.286 4.266 . 0 0 "[ . 1]" 1
295 1 21 THR HA 1 42 LYS HB2 4.400 . 4.400 3.737 3.311 4.132 . 0 0 "[ . 1]" 1
296 1 21 THR HA 1 42 LYS HA 4.270 . 4.270 2.213 2.003 2.390 . 0 0 "[ . 1]" 1
297 1 21 THR HA 1 43 TYR H 5.120 . 5.120 3.650 3.019 3.858 . 0 0 "[ . 1]" 1
298 1 22 CYS HB3 1 29 ILE MD 3.930 . 3.930 2.864 2.670 3.238 . 0 0 "[ . 1]" 1
299 1 22 CYS HB3 1 29 ILE HG12 5.500 . 5.500 2.199 1.902 2.742 . 0 0 "[ . 1]" 1
300 1 22 CYS HB3 1 29 ILE HB 5.090 . 5.090 4.114 3.678 4.335 . 0 0 "[ . 1]" 1
301 1 22 CYS HB3 1 29 ILE MG 4.300 . 4.300 3.007 2.647 3.303 . 0 0 "[ . 1]" 1
302 1 22 CYS HB2 1 29 ILE MD 4.660 . 4.660 3.846 3.603 4.190 . 0 0 "[ . 1]" 1
303 1 22 CYS HB2 1 29 ILE HG12 5.430 . 5.430 2.996 2.614 3.434 . 0 0 "[ . 1]" 1
304 1 22 CYS HB2 1 29 ILE HB 4.000 . 4.000 4.082 4.064 4.108 0.108 1 0 "[ . 1]" 1
305 1 22 CYS HB2 1 29 ILE HG13 5.330 . 5.330 4.649 3.962 5.109 . 0 0 "[ . 1]" 1
306 1 22 CYS HB2 1 29 ILE MG 5.040 . 5.040 2.344 2.015 2.580 . 0 0 "[ . 1]" 1
307 1 22 CYS HB3 1 31 TRP HZ2 4.500 . 4.500 4.288 4.025 4.494 . 0 0 "[ . 1]" 1
308 1 22 CYS HB3 1 31 TRP HH2 5.390 . 5.390 5.210 4.956 5.394 0.004 6 0 "[ . 1]" 1
309 1 22 CYS HB2 1 31 TRP HE1 5.000 . 5.000 4.343 3.941 5.031 0.031 3 0 "[ . 1]" 1
310 1 22 CYS HB2 1 31 TRP HH2 5.090 . 5.090 3.617 3.360 3.801 . 0 0 "[ . 1]" 1
311 1 22 CYS HB2 1 31 TRP HZ2 4.090 . 4.090 2.756 2.380 3.231 . 0 0 "[ . 1]" 1
312 1 22 CYS H 1 31 TRP HH2 5.500 . 5.500 4.377 3.681 4.716 . 0 0 "[ . 1]" 1
313 1 22 CYS H 1 31 TRP HZ2 4.090 . 4.090 3.657 3.351 3.775 . 0 0 "[ . 1]" 1
314 1 22 CYS H 1 42 LYS HA 5.370 . 5.370 3.270 3.007 3.582 . 0 0 "[ . 1]" 1
315 1 23 PRO HB3 1 24 SER H 4.470 . 4.470 4.395 4.263 4.490 0.020 1 0 "[ . 1]" 1
316 1 23 PRO HB2 1 24 SER H 4.210 . 4.210 3.813 3.171 4.027 . 0 0 "[ . 1]" 1
317 1 23 PRO HB2 1 24 SER HA 5.360 . 5.360 4.338 3.986 4.442 . 0 0 "[ . 1]" 1
318 1 23 PRO HG3 1 24 SER H 5.480 . 5.480 4.372 4.020 4.703 . 0 0 "[ . 1]" 1
319 1 24 SER H 1 24 SER HB3 3.770 . 3.770 3.462 2.606 3.581 . 0 0 "[ . 1]" 1
320 1 24 SER H 1 24 SER HB2 3.730 . 3.730 2.474 2.230 3.584 . 0 0 "[ . 1]" 1
321 1 24 SER HA 1 25 SER H 3.380 . 3.380 3.343 2.656 3.531 0.151 10 0 "[ . 1]" 1
322 1 24 SER HA 1 25 SER QB 5.190 . 5.190 4.628 4.318 5.122 . 0 0 "[ . 1]" 1
323 1 24 SER HB3 1 25 SER H 4.230 . 4.230 2.804 1.926 3.736 . 0 0 "[ . 1]" 1
324 1 24 SER HB2 1 25 SER H 4.470 . 4.470 2.615 2.072 3.226 . 0 0 "[ . 1]" 1
325 1 24 SER HB2 1 25 SER QB 4.830 . 4.830 4.095 3.528 4.512 . 0 0 "[ . 1]" 1
326 1 24 SER HB2 1 25 SER HA 5.500 . 5.500 5.015 4.550 5.290 . 0 0 "[ . 1]" 1
327 1 24 SER H 1 25 SER H 4.870 . 4.870 3.375 2.697 4.551 . 0 0 "[ . 1]" 1
328 1 24 SER HB2 1 26 GLY H 5.160 . 5.160 4.471 3.649 4.870 . 0 0 "[ . 1]" 1
329 1 24 SER HB3 1 29 ILE MD 5.020 . 5.020 5.047 4.989 5.082 0.062 1 0 "[ . 1]" 1
330 1 24 SER HB3 1 29 ILE HG13 5.430 . 5.430 4.310 4.128 4.685 . 0 0 "[ . 1]" 1
331 1 24 SER HB2 1 29 ILE HG12 5.380 . 5.380 3.464 2.798 5.323 . 0 0 "[ . 1]" 1
332 1 24 SER H 1 29 ILE MD 5.210 . 5.210 5.099 4.821 5.228 0.018 8 0 "[ . 1]" 1
333 1 24 SER H 1 59 ALA H 5.200 . 5.200 5.241 5.202 5.270 0.070 7 0 "[ . 1]" 1
334 1 24 SER HA 1 59 ALA MB 5.500 . 5.500 3.785 3.671 4.121 . 0 0 "[ . 1]" 1
335 1 24 SER HB3 1 59 ALA MB 3.830 . 3.830 1.985 1.820 3.251 . 0 0 "[ . 1]" 1
336 1 24 SER HB2 1 59 ALA MB 3.850 . 3.850 1.901 1.788 2.158 0.012 5 0 "[ . 1]" 1
337 1 24 SER H 1 59 ALA MB 4.850 . 4.850 3.834 3.564 4.080 . 0 0 "[ . 1]" 1
338 1 24 SER H 1 64 HIS H 5.400 . 5.400 5.394 5.251 5.418 0.018 8 0 "[ . 1]" 1
339 1 25 SER H 1 25 SER QB 3.790 . 3.790 2.633 2.071 2.998 . 0 0 "[ . 1]" 1
340 1 25 SER QB 1 26 GLY H 3.110 . 3.110 2.002 1.908 2.318 . 0 0 "[ . 1]" 1
341 1 25 SER QB 1 26 GLY HA3 5.230 . 5.230 4.234 3.995 4.504 . 0 0 "[ . 1]" 1
342 1 25 SER QB 1 29 ILE MD 5.500 . 5.500 3.888 3.325 4.820 . 0 0 "[ . 1]" 1
343 1 25 SER HA 1 59 ALA MB 5.460 . 5.460 3.769 3.546 4.050 . 0 0 "[ . 1]" 1
344 1 25 SER QB 1 59 ALA MB 5.500 . 5.500 1.909 1.788 2.502 0.012 1 0 "[ . 1]" 1
345 1 25 SER H 1 59 ALA MB 5.500 . 5.500 2.247 1.894 2.834 . 0 0 "[ . 1]" 1
346 1 26 GLY HA2 1 27 ASP HA 5.230 . 5.230 4.333 4.295 4.378 . 0 0 "[ . 1]" 1
347 1 26 GLY HA3 1 29 ILE MD 5.500 . 5.500 3.294 3.168 3.447 . 0 0 "[ . 1]" 1
348 1 26 GLY HA2 1 29 ILE H 5.480 . 5.480 4.700 4.288 5.162 . 0 0 "[ . 1]" 1
349 1 26 GLY H 1 29 ILE MD 4.210 . 4.210 2.534 1.933 3.530 . 0 0 "[ . 1]" 1
350 1 26 GLY H 1 29 ILE MG 5.500 . 5.500 5.511 5.419 5.564 0.064 5 0 "[ . 1]" 1
351 1 26 GLY HA2 1 59 ALA MB 5.240 . 5.240 3.666 2.959 4.021 . 0 0 "[ . 1]" 1
352 1 26 GLY H 1 59 ALA MB 4.780 . 4.780 2.115 1.829 2.394 . 0 0 "[ . 1]" 1
353 1 27 ASP QB 1 28 ASP H 3.300 . 3.300 2.468 2.084 2.625 . 0 0 "[ . 1]" 1
354 1 27 ASP H 1 29 ILE MD 4.090 . 4.090 1.915 1.821 2.001 . 0 0 "[ . 1]" 1
355 1 28 ASP HA 1 29 ILE H 2.940 . 2.940 2.485 2.348 2.584 . 0 0 "[ . 1]" 1
356 1 28 ASP HA 1 29 ILE MD 3.810 . 3.810 3.762 3.358 3.859 0.049 7 0 "[ . 1]" 1
357 1 28 ASP HB3 1 29 ILE H 4.720 . 4.720 4.481 4.180 4.640 . 0 0 "[ . 1]" 1
358 1 28 ASP HB2 1 29 ILE H 5.000 . 5.000 4.466 4.279 4.652 . 0 0 "[ . 1]" 1
359 1 28 ASP H 1 29 ILE HB 5.010 . 5.010 5.016 4.877 5.054 0.044 4 0 "[ . 1]" 1
360 1 28 ASP H 1 29 ILE H 4.010 . 4.010 2.934 2.633 3.168 . 0 0 "[ . 1]" 1
361 1 28 ASP H 1 29 ILE MD 5.500 . 5.500 2.743 2.173 3.096 . 0 0 "[ . 1]" 1
362 1 28 ASP H 1 29 ILE HG12 5.500 . 5.500 5.210 5.030 5.519 0.019 3 0 "[ . 1]" 1
363 1 29 ILE HA 1 29 ILE MD 4.220 . 4.220 3.247 2.597 3.520 . 0 0 "[ . 1]" 1
364 1 29 ILE HA 1 29 ILE MG 3.700 . 3.700 2.481 2.361 2.614 . 0 0 "[ . 1]" 1
365 1 29 ILE MD 1 29 ILE MG 3.740 . 3.740 3.121 3.002 3.242 . 0 0 "[ . 1]" 1
366 1 29 ILE H 1 29 ILE MD 4.060 . 4.060 2.002 1.909 2.148 . 0 0 "[ . 1]" 1
367 1 29 ILE H 1 29 ILE MG 3.910 . 3.910 3.738 3.665 3.761 . 0 0 "[ . 1]" 1
368 1 29 ILE H 1 29 ILE HB 3.460 . 3.460 2.423 2.270 2.532 . 0 0 "[ . 1]" 1
369 1 29 ILE H 1 29 ILE HG12 3.980 . 3.980 3.927 3.757 4.018 0.038 6 0 "[ . 1]" 1
370 1 29 ILE H 1 29 ILE HG13 4.140 . 4.140 3.144 2.606 3.797 . 0 0 "[ . 1]" 1
371 1 29 ILE HA 1 30 LYS H 3.010 . 3.010 2.204 2.163 2.289 . 0 0 "[ . 1]" 1
372 1 29 ILE HA 1 30 LYS HG3 5.280 . 5.280 5.168 4.934 5.285 0.005 8 0 "[ . 1]" 1
373 1 29 ILE HB 1 30 LYS H 4.960 . 4.960 4.026 3.929 4.101 . 0 0 "[ . 1]" 1
374 1 29 ILE MD 1 30 LYS H 5.370 . 5.370 4.858 4.399 5.044 . 0 0 "[ . 1]" 1
375 1 29 ILE HG13 1 30 LYS H 4.800 . 4.800 4.068 3.596 4.280 . 0 0 "[ . 1]" 1
376 1 29 ILE HG12 1 30 LYS H 5.010 . 5.010 4.758 4.532 4.917 . 0 0 "[ . 1]" 1
377 1 29 ILE MG 1 30 LYS H 3.680 . 3.680 2.268 1.970 2.482 . 0 0 "[ . 1]" 1
378 1 29 ILE MG 1 30 LYS HB3 5.500 . 5.500 4.927 4.718 5.037 . 0 0 "[ . 1]" 1
379 1 29 ILE H 1 30 LYS H 5.170 . 5.170 4.584 4.547 4.616 . 0 0 "[ . 1]" 1
380 1 29 ILE HB 1 31 TRP HE1 4.410 . 4.410 3.707 3.323 3.978 . 0 0 "[ . 1]" 1
381 1 29 ILE MD 1 31 TRP HE1 5.370 . 5.370 4.902 4.426 5.360 . 0 0 "[ . 1]" 1
382 1 29 ILE MD 1 31 TRP HZ2 5.500 . 5.500 5.272 4.935 5.512 0.012 2 0 "[ . 1]" 1
383 1 29 ILE MG 1 31 TRP HE1 3.830 . 3.830 3.053 2.848 3.183 . 0 0 "[ . 1]" 1
384 1 29 ILE MG 1 31 TRP H 5.500 . 5.500 3.739 3.501 4.064 . 0 0 "[ . 1]" 1
385 1 29 ILE MG 1 31 TRP HZ2 4.810 . 4.810 3.456 3.185 3.620 . 0 0 "[ . 1]" 1
386 1 29 ILE MG 1 31 TRP HD1 3.540 . 3.540 3.563 3.342 3.607 0.067 7 0 "[ . 1]" 1
387 1 29 ILE HB 1 40 ASN HA 4.430 . 4.430 3.926 2.603 4.462 0.032 3 0 "[ . 1]" 1
388 1 29 ILE MD 1 40 ASN HA 5.200 . 5.200 4.159 3.330 5.010 . 0 0 "[ . 1]" 1
389 1 29 ILE HB 1 41 ASN HB2 5.200 . 5.200 4.447 4.000 5.217 0.017 7 0 "[ . 1]" 1
390 1 29 ILE MD 1 41 ASN H 4.720 . 4.720 3.280 2.002 4.438 . 0 0 "[ . 1]" 1
391 1 29 ILE MD 1 41 ASN HB2 4.010 . 4.010 2.361 1.927 3.138 . 0 0 "[ . 1]" 1
392 1 29 ILE MD 1 41 ASN HA 3.740 . 3.740 2.072 1.881 2.612 . 0 0 "[ . 1]" 1
393 1 29 ILE MG 1 41 ASN H 5.500 . 5.500 4.594 2.810 5.539 0.039 8 0 "[ . 1]" 1
394 1 29 ILE MG 1 41 ASN HB2 5.500 . 5.500 5.047 4.863 5.302 . 0 0 "[ . 1]" 1
395 1 29 ILE MG 1 57 CYS HA 4.780 . 4.780 3.088 2.824 3.328 . 0 0 "[ . 1]" 1
396 1 29 ILE HA 1 58 THR H 4.990 . 4.990 3.710 3.523 3.895 . 0 0 "[ . 1]" 1
397 1 29 ILE HA 1 58 THR HB 4.530 . 4.530 4.494 4.383 4.543 0.013 5 0 "[ . 1]" 1
398 1 29 ILE HA 1 58 THR MG 5.340 . 5.340 4.527 4.445 4.699 . 0 0 "[ . 1]" 1
399 1 29 ILE MG 1 58 THR H 4.460 . 4.460 2.250 1.923 2.432 . 0 0 "[ . 1]" 1
400 1 29 ILE MG 1 58 THR HB 5.500 . 5.500 4.230 4.042 4.337 . 0 0 "[ . 1]" 1
401 1 29 ILE HA 1 59 ALA H 4.710 . 4.710 4.267 4.045 4.557 . 0 0 "[ . 1]" 1
402 1 29 ILE HA 1 59 ALA HA 4.200 . 4.200 2.363 2.205 2.551 . 0 0 "[ . 1]" 1
403 1 29 ILE HA 1 59 ALA MB 4.370 . 4.370 3.127 2.982 3.476 . 0 0 "[ . 1]" 1
404 1 29 ILE MD 1 59 ALA H 5.500 . 5.500 5.260 4.125 5.565 0.065 7 0 "[ . 1]" 1
405 1 29 ILE HG13 1 59 ALA MB 4.300 . 4.300 1.814 1.792 1.856 0.008 1 0 "[ . 1]" 1
406 1 29 ILE HG12 1 59 ALA HA 4.280 . 4.280 4.287 4.051 4.342 0.062 5 0 "[ . 1]" 1
407 1 29 ILE HG12 1 59 ALA MB 2.660 . 2.660 2.619 2.373 2.703 0.043 3 0 "[ . 1]" 1
408 1 29 ILE MG 1 59 ALA MB 5.430 . 5.430 3.269 2.995 3.690 . 0 0 "[ . 1]" 1
409 1 29 ILE MG 1 59 ALA H 4.190 . 4.190 4.158 4.011 4.230 0.040 6 0 "[ . 1]" 1
410 1 29 ILE H 1 59 ALA MB 5.500 . 5.500 4.047 3.638 4.494 . 0 0 "[ . 1]" 1
411 1 30 LYS HA 1 30 LYS HD2 3.730 . 3.730 3.145 2.474 3.295 . 0 0 "[ . 1]" 1
412 1 30 LYS HA 1 30 LYS HD3 4.000 . 4.000 2.630 2.399 3.099 . 0 0 "[ . 1]" 1
413 1 30 LYS H 1 30 LYS HB2 3.410 . 3.410 2.519 2.436 2.691 . 0 0 "[ . 1]" 1
414 1 30 LYS H 1 30 LYS HG3 4.060 . 4.060 4.074 4.064 4.086 0.026 9 0 "[ . 1]" 1
415 1 30 LYS H 1 30 LYS HB3 3.930 . 3.930 3.696 3.638 3.806 . 0 0 "[ . 1]" 1
416 1 30 LYS H 1 30 LYS HD3 4.880 . 4.880 4.871 4.732 4.892 0.012 9 0 "[ . 1]" 1
417 1 30 LYS H 1 30 LYS HD2 5.240 . 5.240 5.158 4.772 5.239 . 0 0 "[ . 1]" 1
418 1 30 LYS HA 1 31 TRP H 3.200 . 3.200 2.157 2.146 2.203 . 0 0 "[ . 1]" 1
419 1 30 LYS HA 1 31 TRP HB2 5.380 . 5.380 4.574 4.541 4.624 . 0 0 "[ . 1]" 1
420 1 30 LYS HA 1 31 TRP HD1 4.510 . 4.510 3.778 3.539 3.913 . 0 0 "[ . 1]" 1
421 1 30 LYS HB3 1 31 TRP H 4.320 . 4.320 3.496 3.040 3.691 . 0 0 "[ . 1]" 1
422 1 30 LYS HB2 1 31 TRP H 4.440 . 4.440 4.369 4.094 4.465 0.025 7 0 "[ . 1]" 1
423 1 30 LYS HD2 1 31 TRP H 4.580 . 4.580 4.309 3.450 4.584 0.004 9 0 "[ . 1]" 1
424 1 30 LYS H 1 31 TRP HA 5.500 . 5.500 4.791 4.706 4.879 . 0 0 "[ . 1]" 1
425 1 30 LYS H 1 31 TRP H 5.300 . 5.300 4.240 4.123 4.412 . 0 0 "[ . 1]" 1
426 1 30 LYS HB3 1 58 THR H 5.130 . 5.130 4.965 4.501 5.171 0.041 1 0 "[ . 1]" 1
427 1 30 LYS HB3 1 58 THR HB 3.820 . 3.820 3.830 3.750 3.857 0.037 5 0 "[ . 1]" 1
428 1 30 LYS HB2 1 58 THR HB 3.510 . 3.510 2.331 2.196 2.415 . 0 0 "[ . 1]" 1
429 1 30 LYS HB2 1 58 THR MG 3.740 . 3.740 3.349 3.179 3.610 . 0 0 "[ . 1]" 1
430 1 30 LYS HG3 1 58 THR HB 4.550 . 4.550 4.196 3.891 4.424 . 0 0 "[ . 1]" 1
431 1 30 LYS HG3 1 58 THR MG 5.500 . 5.500 4.101 3.837 4.208 . 0 0 "[ . 1]" 1
432 1 30 LYS HG2 1 58 THR HB 4.780 . 4.780 4.579 4.169 4.792 0.012 1 0 "[ . 1]" 1
433 1 30 LYS HG2 1 58 THR MG 4.810 . 4.810 4.729 4.532 4.819 0.009 5 0 "[ . 1]" 1
434 1 30 LYS H 1 58 THR H 4.250 . 4.250 2.387 1.976 2.663 . 0 0 "[ . 1]" 1
435 1 30 LYS H 1 58 THR HB 4.160 . 4.160 2.940 2.822 3.118 . 0 0 "[ . 1]" 1
436 1 30 LYS H 1 58 THR MG 4.480 . 4.480 3.944 3.775 4.179 . 0 0 "[ . 1]" 1
437 1 30 LYS H 1 59 ALA HA 4.600 . 4.600 3.916 3.723 4.074 . 0 0 "[ . 1]" 1
438 1 31 TRP HA 1 31 TRP HE3 3.640 . 3.640 3.133 3.087 3.269 . 0 0 "[ . 1]" 1
439 1 31 TRP HB3 1 31 TRP HE3 3.650 . 3.650 2.580 2.532 2.601 . 0 0 "[ . 1]" 1
440 1 31 TRP H 1 31 TRP HD1 4.370 . 4.370 2.608 2.366 2.833 . 0 0 "[ . 1]" 1
441 1 31 TRP H 1 31 TRP HB2 3.820 . 3.820 2.470 2.411 2.564 . 0 0 "[ . 1]" 1
442 1 31 TRP HA 1 32 LYS H 3.220 . 3.220 2.568 2.448 2.627 . 0 0 "[ . 1]" 1
443 1 31 TRP HA 1 32 LYS HA 5.410 . 5.410 4.489 4.424 4.529 . 0 0 "[ . 1]" 1
444 1 31 TRP HB3 1 32 LYS H 4.300 . 4.300 2.185 2.115 2.383 . 0 0 "[ . 1]" 1
445 1 31 TRP HB2 1 32 LYS H 4.790 . 4.790 3.369 3.251 3.601 . 0 0 "[ . 1]" 1
446 1 31 TRP HB2 1 32 LYS HA 5.500 . 5.500 4.613 4.522 4.775 . 0 0 "[ . 1]" 1
447 1 31 TRP HE3 1 32 LYS H 4.000 . 4.000 3.353 3.188 3.469 . 0 0 "[ . 1]" 1
448 1 31 TRP H 1 32 LYS HA 5.500 . 5.500 5.184 4.964 5.299 . 0 0 "[ . 1]" 1
449 1 31 TRP HB3 1 35 PRO HB3 5.220 . 5.220 5.231 5.221 5.247 0.027 1 0 "[ . 1]" 1
450 1 31 TRP HB3 1 35 PRO HA 4.880 . 4.880 3.832 3.777 3.876 . 0 0 "[ . 1]" 1
451 1 31 TRP HB2 1 35 PRO HA 3.990 . 3.990 2.705 2.615 2.797 . 0 0 "[ . 1]" 1
452 1 31 TRP HB3 1 38 GLY HA2 5.230 . 5.230 4.927 4.844 5.005 . 0 0 "[ . 1]" 1
453 1 31 TRP HD1 1 38 GLY HA3 4.590 . 4.590 2.921 2.813 3.038 . 0 0 "[ . 1]" 1
454 1 31 TRP HD1 1 38 GLY HA2 3.950 . 3.950 3.994 3.976 4.002 0.052 7 0 "[ . 1]" 1
455 1 31 TRP HE1 1 41 ASN H 5.260 . 5.260 4.239 3.243 5.196 . 0 0 "[ . 1]" 1
456 1 31 TRP HE1 1 42 LYS H 4.180 . 4.180 2.868 2.424 3.318 . 0 0 "[ . 1]" 1
457 1 31 TRP HE1 1 42 LYS HA 5.190 . 5.190 4.451 4.124 4.782 . 0 0 "[ . 1]" 1
458 1 31 TRP HZ2 1 42 LYS H 4.480 . 4.480 3.370 2.932 3.660 . 0 0 "[ . 1]" 1
459 1 31 TRP HZ2 1 42 LYS HA 4.760 . 4.760 2.744 2.254 3.315 . 0 0 "[ . 1]" 1
460 1 31 TRP HA 1 43 TYR QD 5.180 . 5.180 4.931 4.673 5.079 . 0 0 "[ . 1]" 1
461 1 31 TRP HB3 1 43 TYR QD 4.160 . 4.160 3.138 2.586 3.434 . 0 0 "[ . 1]" 1
462 1 31 TRP HB3 1 43 TYR QE 3.690 . 3.690 2.667 2.101 3.204 . 0 0 "[ . 1]" 1
463 1 31 TRP HB2 1 43 TYR QD 3.730 . 3.730 3.602 3.187 3.753 0.023 1 0 "[ . 1]" 1
464 1 31 TRP HB2 1 43 TYR QE 3.940 . 3.940 3.240 2.531 3.944 0.004 3 0 "[ . 1]" 1
465 1 31 TRP HD1 1 43 TYR QD 4.080 . 4.080 3.833 3.579 4.104 0.024 3 0 "[ . 1]" 1
466 1 31 TRP HE3 1 43 TYR QD 3.530 . 3.530 3.335 2.995 3.565 0.035 8 0 "[ . 1]" 1
467 1 31 TRP HZ2 1 43 TYR H 4.700 . 4.700 3.276 2.501 3.692 . 0 0 "[ . 1]" 1
468 1 31 TRP HZ3 1 43 TYR QD 4.190 . 4.190 4.243 4.222 4.282 0.092 6 0 "[ . 1]" 1
469 1 31 TRP HA 1 55 VAL MG2 4.620 . 4.620 4.542 4.352 4.660 0.040 7 0 "[ . 1]" 1
470 1 31 TRP HB3 1 55 VAL MG2 5.500 . 5.500 3.987 3.829 4.136 . 0 0 "[ . 1]" 1
471 1 31 TRP HE3 1 55 VAL HB 5.150 . 5.150 5.125 5.005 5.179 0.029 9 0 "[ . 1]" 1
472 1 31 TRP HE3 1 55 VAL MG2 2.980 . 2.980 2.245 2.153 2.278 . 0 0 "[ . 1]" 1
473 1 31 TRP HZ3 1 55 VAL HB 5.500 . 5.500 4.489 4.357 4.708 . 0 0 "[ . 1]" 1
474 1 31 TRP HZ3 1 55 VAL MG2 3.050 . 3.050 1.900 1.809 2.040 . 0 0 "[ . 1]" 1
475 1 31 TRP HA 1 56 SER H 5.400 . 5.400 4.755 4.472 4.995 . 0 0 "[ . 1]" 1
476 1 31 TRP HE3 1 56 SER H 5.190 . 5.190 3.760 3.385 4.025 . 0 0 "[ . 1]" 1
477 1 31 TRP HZ3 1 56 SER HA 5.500 . 5.500 5.302 4.932 5.526 0.026 6 0 "[ . 1]" 1
478 1 31 TRP HA 1 57 CYS HA 4.640 . 4.640 3.134 2.834 3.414 . 0 0 "[ . 1]" 1
479 1 32 LYS HA 1 32 LYS HD3 5.290 . 5.290 3.886 2.372 4.786 . 0 0 "[ . 1]" 1
480 1 32 LYS HA 1 32 LYS QG 3.760 . 3.760 2.996 2.791 3.194 . 0 0 "[ . 1]" 1
481 1 32 LYS H 1 32 LYS HB3 3.950 . 3.950 3.885 3.816 3.934 . 0 0 "[ . 1]" 1
482 1 32 LYS H 1 32 LYS QG 4.180 . 4.180 2.445 2.299 2.565 . 0 0 "[ . 1]" 1
483 1 32 LYS HB3 1 33 PRO HD3 5.500 . 5.500 3.651 3.528 3.808 . 0 0 "[ . 1]" 1
484 1 32 LYS HB3 1 33 PRO HD2 5.410 . 5.410 3.989 3.778 4.324 . 0 0 "[ . 1]" 1
485 1 32 LYS HB2 1 33 PRO HB3 5.230 . 5.230 5.126 4.868 5.266 0.036 2 0 "[ . 1]" 1
486 1 32 LYS HB2 1 33 PRO HA 3.860 . 3.860 3.827 3.763 3.928 0.068 10 0 "[ . 1]" 1
487 1 32 LYS QG 1 33 PRO HG2 5.340 . 5.340 4.327 3.804 4.881 . 0 0 "[ . 1]" 1
488 1 32 LYS HA 1 34 ASP H 4.480 . 4.480 4.394 4.144 4.492 0.012 3 0 "[ . 1]" 1
489 1 32 LYS H 1 43 TYR QE 4.140 . 4.140 4.170 4.147 4.197 0.057 7 0 "[ . 1]" 1
490 1 32 LYS H 1 55 VAL MG2 4.800 . 4.800 3.960 3.600 4.272 . 0 0 "[ . 1]" 1
491 1 32 LYS HB3 1 56 SER QB 5.500 . 5.500 4.448 4.168 4.866 . 0 0 "[ . 1]" 1
492 1 32 LYS QG 1 56 SER H 5.440 . 5.440 3.100 2.736 3.310 . 0 0 "[ . 1]" 1
493 1 32 LYS H 1 56 SER QB 4.960 . 4.960 4.360 4.088 4.765 . 0 0 "[ . 1]" 1
494 1 32 LYS H 1 57 CYS HA 5.110 . 5.110 5.141 5.020 5.184 0.074 7 0 "[ . 1]" 1
495 1 33 PRO HA 1 34 ASP HA 5.320 . 5.320 4.660 4.630 4.692 . 0 0 "[ . 1]" 1
496 1 33 PRO HD2 1 34 ASP H 5.430 . 5.430 3.568 3.330 3.708 . 0 0 "[ . 1]" 1
497 1 33 PRO HG2 1 34 ASP H 4.760 . 4.760 3.514 2.754 3.949 . 0 0 "[ . 1]" 1
498 1 33 PRO HB2 1 53 LEU MD2 5.500 . 5.500 3.528 3.106 3.825 . 0 0 "[ . 1]" 1
499 1 33 PRO HG3 1 53 LEU MD2 5.030 . 5.030 4.415 3.795 4.950 . 0 0 "[ . 1]" 1
500 1 33 PRO HD3 1 55 VAL HA 4.210 . 4.210 3.354 2.503 4.007 . 0 0 "[ . 1]" 1
501 1 33 PRO HD3 1 55 VAL MG2 5.440 . 5.440 4.018 3.394 4.610 . 0 0 "[ . 1]" 1
502 1 33 PRO HD2 1 55 VAL HA 3.700 . 3.700 3.522 3.211 3.710 0.010 9 0 "[ . 1]" 1
503 1 33 PRO HD2 1 55 VAL MG2 4.570 . 4.570 3.252 2.844 3.832 . 0 0 "[ . 1]" 1
504 1 33 PRO HD3 1 56 SER H 5.500 . 5.500 2.969 2.680 3.450 . 0 0 "[ . 1]" 1
505 1 33 PRO HD2 1 56 SER H 5.190 . 5.190 2.747 2.608 2.882 . 0 0 "[ . 1]" 1
506 1 34 ASP H 1 34 ASP HB3 3.840 . 3.840 3.501 3.418 3.568 . 0 0 "[ . 1]" 1
507 1 34 ASP H 1 34 ASP HB2 3.780 . 3.780 3.044 2.974 3.172 . 0 0 "[ . 1]" 1
508 1 34 ASP HA 1 35 PRO HG3 4.550 . 4.550 4.319 4.278 4.372 . 0 0 "[ . 1]" 1
509 1 34 ASP HA 1 35 PRO HD2 3.420 . 3.420 2.484 2.465 2.502 . 0 0 "[ . 1]" 1
510 1 34 ASP HA 1 35 PRO HD3 3.470 . 3.470 2.141 2.096 2.201 . 0 0 "[ . 1]" 1
511 1 34 ASP HA 1 35 PRO HG2 5.000 . 5.000 4.480 4.459 4.509 . 0 0 "[ . 1]" 1
512 1 34 ASP HB3 1 35 PRO HD2 5.220 . 5.220 4.737 4.671 4.820 . 0 0 "[ . 1]" 1
513 1 34 ASP HB3 1 35 PRO HD3 5.160 . 5.160 4.666 4.638 4.697 . 0 0 "[ . 1]" 1
514 1 34 ASP HB2 1 35 PRO HD2 5.160 . 5.160 5.181 5.127 5.211 0.051 2 0 "[ . 1]" 1
515 1 34 ASP HB2 1 35 PRO HD3 5.030 . 5.030 4.670 4.654 4.687 . 0 0 "[ . 1]" 1
516 1 34 ASP H 1 35 PRO HD2 5.250 . 5.250 4.488 4.457 4.512 . 0 0 "[ . 1]" 1
517 1 34 ASP H 1 35 PRO HD3 4.790 . 4.790 3.157 3.126 3.190 . 0 0 "[ . 1]" 1
518 1 34 ASP H 1 35 PRO HA 5.400 . 5.400 4.287 4.269 4.316 . 0 0 "[ . 1]" 1
519 1 34 ASP H 1 35 PRO HG3 5.500 . 5.500 4.425 4.377 4.442 . 0 0 "[ . 1]" 1
520 1 34 ASP H 1 35 PRO HG2 5.500 . 5.500 5.560 5.528 5.578 0.078 9 0 "[ . 1]" 1
521 1 34 ASP HA 1 36 ALA H 3.930 . 3.930 3.332 3.281 3.359 . 0 0 "[ . 1]" 1
522 1 34 ASP HA 1 36 ALA MB 5.500 . 5.500 4.141 4.016 4.258 . 0 0 "[ . 1]" 1
523 1 34 ASP HB3 1 36 ALA H 4.870 . 4.870 3.805 3.727 3.917 . 0 0 "[ . 1]" 1
524 1 34 ASP HB3 1 36 ALA MB 5.500 . 5.500 3.768 3.629 3.937 . 0 0 "[ . 1]" 1
525 1 34 ASP HA 1 37 LEU HG 5.260 . 5.260 4.673 4.619 4.770 . 0 0 "[ . 1]" 1
526 1 34 ASP HA 1 37 LEU H 5.500 . 5.500 4.541 4.482 4.576 . 0 0 "[ . 1]" 1
527 1 34 ASP HA 1 37 LEU MD1 5.500 . 5.500 5.167 5.069 5.275 . 0 0 "[ . 1]" 1
528 1 34 ASP HB3 1 37 LEU H 4.560 . 4.560 3.049 2.961 3.152 . 0 0 "[ . 1]" 1
529 1 34 ASP HB3 1 37 LEU QB 4.820 . 4.820 4.136 4.023 4.235 . 0 0 "[ . 1]" 1
530 1 34 ASP HB3 1 37 LEU HG 4.210 . 4.210 2.010 1.920 2.095 . 0 0 "[ . 1]" 1
531 1 34 ASP HB3 1 37 LEU MD2 4.390 . 4.390 2.033 1.905 2.246 . 0 0 "[ . 1]" 1
532 1 34 ASP HB2 1 37 LEU HG 4.360 . 4.360 3.543 3.467 3.690 . 0 0 "[ . 1]" 1
533 1 34 ASP HB2 1 37 LEU MD2 4.810 . 4.810 3.382 3.240 3.537 . 0 0 "[ . 1]" 1
534 1 34 ASP H 1 37 LEU MD2 5.500 . 5.500 5.047 4.840 5.203 . 0 0 "[ . 1]" 1
535 1 34 ASP HB3 1 43 TYR QE 5.100 . 5.100 3.588 3.035 3.966 . 0 0 "[ . 1]" 1
536 1 34 ASP H 1 43 TYR QE 4.090 . 4.090 2.911 2.153 3.394 . 0 0 "[ . 1]" 1
537 1 34 ASP HB2 1 53 LEU MD2 5.500 . 5.500 4.531 4.139 4.730 . 0 0 "[ . 1]" 1
538 1 34 ASP H 1 53 LEU MD1 5.220 . 5.220 5.236 5.183 5.312 0.092 3 0 "[ . 1]" 1
539 1 34 ASP H 1 53 LEU MD2 5.400 . 5.400 5.445 5.401 5.468 0.068 4 0 "[ . 1]" 1
540 1 34 ASP H 1 55 VAL MG2 5.170 . 5.170 4.531 4.323 4.779 . 0 0 "[ . 1]" 1
541 1 35 PRO HA 1 36 ALA MB 5.380 . 5.380 4.953 4.935 4.968 . 0 0 "[ . 1]" 1
542 1 35 PRO HB3 1 36 ALA H 4.230 . 4.230 4.220 4.202 4.238 0.008 1 0 "[ . 1]" 1
543 1 35 PRO HB2 1 36 ALA H 3.300 . 3.300 3.038 3.004 3.073 . 0 0 "[ . 1]" 1
544 1 35 PRO HB2 1 36 ALA MB 4.380 . 4.380 4.315 4.256 4.358 . 0 0 "[ . 1]" 1
545 1 35 PRO HB2 1 36 ALA HA 5.490 . 5.490 3.956 3.936 3.975 . 0 0 "[ . 1]" 1
546 1 35 PRO HD3 1 36 ALA H 3.620 . 3.620 3.733 3.708 3.748 0.128 4 0 "[ . 1]" 1
547 1 35 PRO HD3 1 36 ALA MB 5.500 . 5.500 5.028 4.975 5.080 . 0 0 "[ . 1]" 1
548 1 35 PRO HD2 1 36 ALA H 4.520 . 4.520 2.516 2.467 2.560 . 0 0 "[ . 1]" 1
549 1 35 PRO HG3 1 36 ALA H 4.520 . 4.520 4.542 4.527 4.557 0.037 8 0 "[ . 1]" 1
550 1 35 PRO HG2 1 36 ALA MB 5.460 . 5.460 5.351 5.246 5.436 . 0 0 "[ . 1]" 1
551 1 35 PRO HG2 1 36 ALA H 4.220 . 4.220 4.160 4.115 4.213 . 0 0 "[ . 1]" 1
552 1 35 PRO HA 1 37 LEU HG 5.110 . 5.110 5.076 4.989 5.114 0.004 1 0 "[ . 1]" 1
553 1 35 PRO HB2 1 37 LEU H 5.500 . 5.500 4.950 4.875 5.038 . 0 0 "[ . 1]" 1
554 1 35 PRO HA 1 38 GLY H 4.590 . 4.590 3.567 3.477 3.648 . 0 0 "[ . 1]" 1
555 1 35 PRO HA 1 43 TYR QE 4.790 . 4.790 3.400 3.090 3.829 . 0 0 "[ . 1]" 1
556 1 36 ALA H 1 36 ALA HA 2.890 . 2.890 2.783 2.776 2.790 . 0 0 "[ . 1]" 1
557 1 36 ALA H 1 36 ALA MB 2.830 . 2.830 2.125 2.029 2.226 . 0 0 "[ . 1]" 1
558 1 36 ALA HA 1 37 LEU MD2 5.050 . 5.050 3.873 3.817 3.929 . 0 0 "[ . 1]" 1
559 1 36 ALA HA 1 37 LEU HA 4.840 . 4.840 4.534 4.513 4.545 . 0 0 "[ . 1]" 1
560 1 36 ALA MB 1 37 LEU H 3.440 . 3.440 2.842 2.746 2.940 . 0 0 "[ . 1]" 1
561 1 36 ALA MB 1 37 LEU HA 4.820 . 4.820 4.095 4.033 4.135 . 0 0 "[ . 1]" 1
562 1 36 ALA MB 1 37 LEU MD2 4.280 . 4.280 1.947 1.834 2.067 . 0 0 "[ . 1]" 1
563 1 36 ALA MB 1 37 LEU QB 5.270 . 5.270 3.892 3.821 3.971 . 0 0 "[ . 1]" 1
564 1 36 ALA H 1 37 LEU H 3.280 . 3.280 2.695 2.675 2.711 . 0 0 "[ . 1]" 1
565 1 36 ALA H 1 37 LEU HG 4.890 . 4.890 4.348 4.280 4.421 . 0 0 "[ . 1]" 1
566 1 36 ALA H 1 37 LEU MD2 5.070 . 5.070 3.216 3.035 3.338 . 0 0 "[ . 1]" 1
567 1 36 ALA HA 1 38 GLY H 4.480 . 4.480 4.159 4.110 4.229 . 0 0 "[ . 1]" 1
568 1 36 ALA MB 1 38 GLY H 4.940 . 4.940 4.650 4.597 4.721 . 0 0 "[ . 1]" 1
569 1 36 ALA H 1 38 GLY H 4.830 . 4.830 4.526 4.469 4.578 . 0 0 "[ . 1]" 1
570 1 36 ALA H 1 43 TYR QE 5.310 . 5.310 5.185 5.036 5.314 0.004 1 0 "[ . 1]" 1
571 1 37 LEU HA 1 37 LEU MD2 3.090 . 3.090 3.129 3.108 3.168 0.078 8 0 "[ . 1]" 1
572 1 37 LEU HA 1 37 LEU HG 4.120 . 4.120 3.727 3.711 3.749 . 0 0 "[ . 1]" 1
573 1 37 LEU QB 1 37 LEU MD1 3.230 . 3.230 2.035 1.993 2.101 . 0 0 "[ . 1]" 1
574 1 37 LEU QB 1 37 LEU MD2 3.200 . 3.200 2.170 2.120 2.192 . 0 0 "[ . 1]" 1
575 1 37 LEU H 1 37 LEU HG 4.060 . 4.060 2.232 2.169 2.279 . 0 0 "[ . 1]" 1
576 1 37 LEU H 1 37 LEU MD2 3.870 . 3.870 2.230 2.021 2.373 . 0 0 "[ . 1]" 1
577 1 37 LEU MD2 1 38 GLY H 4.930 . 4.930 4.376 4.325 4.413 . 0 0 "[ . 1]" 1
578 1 37 LEU HG 1 38 GLY H 5.400 . 5.400 4.330 4.311 4.344 . 0 0 "[ . 1]" 1
579 1 37 LEU H 1 38 GLY H 3.540 . 3.540 2.814 2.747 2.876 . 0 0 "[ . 1]" 1
580 1 37 LEU MD2 1 43 TYR QE 4.690 . 4.690 4.239 4.143 4.406 . 0 0 "[ . 1]" 1
581 1 37 LEU MD2 1 43 TYR QD 5.500 . 5.500 5.527 5.498 5.585 0.085 8 0 "[ . 1]" 1
582 1 37 LEU H 1 43 TYR QE 4.420 . 4.420 4.024 3.886 4.212 . 0 0 "[ . 1]" 1
583 1 37 LEU MD2 1 46 GLN H 4.780 . 4.780 4.406 4.032 4.788 0.008 7 0 "[ . 1]" 1
584 1 38 GLY HA3 1 39 ASP H 3.310 . 3.310 3.346 3.321 3.371 0.061 4 0 "[ . 1]" 1
585 1 38 GLY HA2 1 39 ASP H 3.490 . 3.490 2.149 2.139 2.160 . 0 0 "[ . 1]" 1
586 1 38 GLY HA3 1 43 TYR QD 5.050 . 5.050 2.736 2.528 2.982 . 0 0 "[ . 1]" 1
587 1 38 GLY HA3 1 43 TYR HA 4.090 . 4.090 3.661 3.601 3.776 . 0 0 "[ . 1]" 1
588 1 38 GLY HA2 1 43 TYR QD 4.850 . 4.850 2.417 2.109 2.927 . 0 0 "[ . 1]" 1
589 1 38 GLY HA2 1 43 TYR HA 4.630 . 4.630 1.996 1.936 2.079 . 0 0 "[ . 1]" 1
590 1 38 GLY H 1 43 TYR QD 4.650 . 4.650 4.662 4.577 4.744 0.094 7 0 "[ . 1]" 1
591 1 38 GLY H 1 43 TYR HA 4.730 . 4.730 4.743 4.696 4.764 0.034 6 0 "[ . 1]" 1
592 1 39 ASP H 1 39 ASP HB3 3.670 . 3.670 3.054 2.761 3.497 . 0 0 "[ . 1]" 1
593 1 39 ASP H 1 39 ASP HB2 3.800 . 3.800 2.328 2.124 2.474 . 0 0 "[ . 1]" 1
594 1 39 ASP HA 1 40 ASN H 3.530 . 3.530 2.452 2.366 2.568 . 0 0 "[ . 1]" 1
595 1 39 ASP HB3 1 40 ASN H 5.440 . 5.440 2.921 2.198 3.345 . 0 0 "[ . 1]" 1
596 1 39 ASP HB2 1 40 ASN H 5.380 . 5.380 3.918 3.676 4.053 . 0 0 "[ . 1]" 1
597 1 39 ASP HB3 1 42 LYS HB3 5.100 . 5.100 2.262 1.993 2.784 . 0 0 "[ . 1]" 1
598 1 39 ASP HB2 1 42 LYS HB3 5.160 . 5.160 2.832 2.068 3.530 . 0 0 "[ . 1]" 1
599 1 39 ASP HB2 1 42 LYS HB2 5.440 . 5.440 4.447 3.738 4.973 . 0 0 "[ . 1]" 1
600 1 39 ASP H 1 42 LYS H 4.030 . 4.030 3.835 3.286 4.036 0.006 10 0 "[ . 1]" 1
601 1 39 ASP H 1 42 LYS HB2 5.500 . 5.500 5.336 5.083 5.508 0.008 4 0 "[ . 1]" 1
602 1 39 ASP H 1 43 TYR QD 4.590 . 4.590 3.987 3.567 4.590 0.000 7 0 "[ . 1]" 1
603 1 39 ASP H 1 43 TYR HA 3.880 . 3.880 2.095 2.010 2.240 . 0 0 "[ . 1]" 1
604 1 39 ASP H 1 43 TYR HB3 4.930 . 4.930 5.030 4.989 5.062 0.132 10 0 "[ . 1]" 1
605 1 39 ASP HA 1 44 ILE MD 5.500 . 5.500 5.432 4.966 5.523 0.023 3 0 "[ . 1]" 1
606 1 39 ASP HB3 1 44 ILE MD 4.850 . 4.850 3.819 3.387 4.138 . 0 0 "[ . 1]" 1
607 1 39 ASP HB2 1 44 ILE MD 4.930 . 4.930 3.230 3.022 3.338 . 0 0 "[ . 1]" 1
608 1 39 ASP HB2 1 44 ILE HG13 4.620 . 4.620 3.476 2.964 4.003 . 0 0 "[ . 1]" 1
609 1 39 ASP H 1 44 ILE MD 4.720 . 4.720 4.318 4.056 4.523 . 0 0 "[ . 1]" 1
610 1 40 ASN QB 1 41 ASN H 3.130 . 3.130 2.739 1.921 3.316 0.186 5 0 "[ . 1]" 1
611 1 40 ASN QB 1 41 ASN HA 4.910 . 4.910 4.458 3.960 4.836 . 0 0 "[ . 1]" 1
612 1 40 ASN QB 1 42 LYS H 4.600 . 4.600 4.339 3.881 4.679 0.079 3 0 "[ . 1]" 1
613 1 41 ASN H 1 41 ASN HB2 3.620 . 3.620 3.304 2.914 3.726 0.106 7 0 "[ . 1]" 1
614 1 41 ASN H 1 42 LYS HA 5.050 . 5.050 4.954 4.504 5.180 0.130 10 0 "[ . 1]" 1
615 1 41 ASN H 1 42 LYS H 3.570 . 3.570 2.495 1.960 2.699 . 0 0 "[ . 1]" 1
616 1 41 ASN H 1 42 LYS HB2 4.970 . 4.970 4.419 3.790 5.049 0.079 9 0 "[ . 1]" 1
617 1 42 LYS H 1 42 LYS HB3 3.430 . 3.430 3.119 2.858 3.388 . 0 0 "[ . 1]" 1
618 1 42 LYS HA 1 43 TYR H 3.470 . 3.470 2.343 2.149 2.463 . 0 0 "[ . 1]" 1
619 1 42 LYS HA 1 43 TYR HB2 5.330 . 5.330 4.255 4.054 4.651 . 0 0 "[ . 1]" 1
620 1 42 LYS HB3 1 43 TYR H 4.580 . 4.580 3.536 3.158 4.343 . 0 0 "[ . 1]" 1
621 1 42 LYS HB2 1 43 TYR H 4.540 . 4.540 4.101 3.841 4.544 0.004 9 0 "[ . 1]" 1
622 1 42 LYS HG3 1 43 TYR H 5.040 . 5.040 2.452 1.978 3.308 . 0 0 "[ . 1]" 1
623 1 42 LYS HG2 1 43 TYR H 5.190 . 5.190 3.214 2.080 4.808 . 0 0 "[ . 1]" 1
624 1 42 LYS HB3 1 44 ILE H 5.310 . 5.310 4.585 4.375 5.122 . 0 0 "[ . 1]" 1
625 1 42 LYS HB3 1 44 ILE MD 5.100 . 5.100 2.959 2.483 3.292 . 0 0 "[ . 1]" 1
626 1 42 LYS HB3 1 44 ILE HG12 5.410 . 5.410 3.790 3.573 4.356 . 0 0 "[ . 1]" 1
627 1 42 LYS HB3 1 44 ILE HG13 5.500 . 5.500 4.884 4.552 5.150 . 0 0 "[ . 1]" 1
628 1 42 LYS HB2 1 44 ILE MD 4.360 . 4.360 4.168 3.916 4.358 . 0 0 "[ . 1]" 1
629 1 42 LYS HG3 1 44 ILE H 5.500 . 5.500 5.293 4.394 5.515 0.015 8 0 "[ . 1]" 1
630 1 42 LYS HG2 1 44 ILE HG13 5.100 . 5.100 4.964 4.696 5.129 0.029 9 0 "[ . 1]" 1
631 1 43 TYR HA 1 43 TYR QD 3.910 . 3.910 2.835 2.401 3.199 . 0 0 "[ . 1]" 1
632 1 43 TYR H 1 43 TYR QD 5.090 . 5.090 4.339 4.184 4.428 . 0 0 "[ . 1]" 1
633 1 43 TYR H 1 43 TYR HB3 3.720 . 3.720 2.779 2.446 2.958 . 0 0 "[ . 1]" 1
634 1 43 TYR HA 1 44 ILE HB 4.730 . 4.730 4.772 4.757 4.793 0.063 3 0 "[ . 1]" 1
635 1 43 TYR HA 1 44 ILE HG12 5.350 . 5.350 3.776 3.694 3.803 . 0 0 "[ . 1]" 1
636 1 43 TYR HA 1 44 ILE HG13 5.500 . 5.500 5.498 5.432 5.521 0.021 1 0 "[ . 1]" 1
637 1 43 TYR QD 1 44 ILE H 5.040 . 5.040 4.077 3.799 4.192 . 0 0 "[ . 1]" 1
638 1 43 TYR QE 1 44 ILE H 5.400 . 5.400 5.329 5.065 5.432 0.032 8 0 "[ . 1]" 1
639 1 43 TYR QD 1 45 ILE H 5.500 . 5.500 4.161 3.383 4.681 . 0 0 "[ . 1]" 1
640 1 43 TYR QD 1 45 ILE MD 4.670 . 4.670 2.948 2.695 3.384 . 0 0 "[ . 1]" 1
641 1 43 TYR QD 1 45 ILE HG13 3.800 . 3.800 2.667 2.215 2.987 . 0 0 "[ . 1]" 1
642 1 43 TYR QE 1 45 ILE HG13 4.740 . 4.740 4.008 3.497 4.575 . 0 0 "[ . 1]" 1
643 1 43 TYR QE 1 45 ILE HG12 5.030 . 5.030 2.474 1.978 3.247 . 0 0 "[ . 1]" 1
644 1 43 TYR QE 1 45 ILE MG 5.490 . 5.490 3.286 2.703 4.378 . 0 0 "[ . 1]" 1
645 1 43 TYR QE 1 45 ILE MD 4.040 . 4.040 3.456 3.272 3.842 . 0 0 "[ . 1]" 1
646 1 43 TYR QD 1 53 LEU MD1 5.500 . 5.500 5.555 5.532 5.579 0.079 6 0 "[ . 1]" 1
647 1 43 TYR QE 1 53 LEU MD1 4.980 . 4.980 4.727 4.479 4.918 . 0 0 "[ . 1]" 1
648 1 43 TYR QE 1 53 LEU MD2 4.770 . 4.770 3.820 3.594 4.074 . 0 0 "[ . 1]" 1
649 1 43 TYR QD 1 55 VAL MG2 5.010 . 5.010 3.740 3.664 3.804 . 0 0 "[ . 1]" 1
650 1 44 ILE HA 1 44 ILE HG13 3.830 . 3.830 3.781 3.769 3.797 . 0 0 "[ . 1]" 1
651 1 44 ILE MD 1 44 ILE MG 3.750 . 3.750 2.102 2.006 2.277 . 0 0 "[ . 1]" 1
652 1 44 ILE H 1 44 ILE HG13 4.400 . 4.400 3.585 3.551 3.624 . 0 0 "[ . 1]" 1
653 1 44 ILE H 1 44 ILE MD 4.180 . 4.180 3.100 2.863 3.302 . 0 0 "[ . 1]" 1
654 1 44 ILE H 1 44 ILE HB 3.890 . 3.890 2.626 2.591 2.679 . 0 0 "[ . 1]" 1
655 1 44 ILE H 1 44 ILE HG12 4.360 . 4.360 2.065 1.985 2.103 . 0 0 "[ . 1]" 1
656 1 44 ILE H 1 44 ILE MG 4.460 . 4.460 3.783 3.772 3.788 . 0 0 "[ . 1]" 1
657 1 44 ILE HA 1 45 ILE H 3.400 . 3.400 2.195 2.161 2.252 . 0 0 "[ . 1]" 1
658 1 44 ILE HA 1 45 ILE HG12 5.420 . 5.420 4.882 4.557 5.084 . 0 0 "[ . 1]" 1
659 1 44 ILE HA 1 45 ILE HG13 4.140 . 4.140 3.662 3.291 3.936 . 0 0 "[ . 1]" 1
660 1 44 ILE HA 1 45 ILE MG 5.500 . 5.500 5.477 5.394 5.512 0.012 8 0 "[ . 1]" 1
661 1 44 ILE HA 1 45 ILE MD 5.280 . 5.280 5.016 4.636 5.271 . 0 0 "[ . 1]" 1
662 1 44 ILE HB 1 45 ILE H 5.130 . 5.130 4.222 3.727 4.366 . 0 0 "[ . 1]" 1
663 1 44 ILE MD 1 45 ILE H 4.160 . 4.160 3.882 3.711 4.025 . 0 0 "[ . 1]" 1
664 1 44 ILE MG 1 45 ILE HA 4.980 . 4.980 4.138 3.734 4.303 . 0 0 "[ . 1]" 1
665 1 44 ILE MG 1 45 ILE H 3.820 . 3.820 2.938 1.996 3.207 . 0 0 "[ . 1]" 1
666 1 44 ILE MG 1 45 ILE HB 5.320 . 5.320 4.870 4.398 5.024 . 0 0 "[ . 1]" 1
667 1 44 ILE MG 1 46 GLN H 4.990 . 4.990 4.572 4.250 4.846 . 0 0 "[ . 1]" 1
668 1 44 ILE MG 1 46 GLN HA 5.330 . 5.330 4.702 4.540 4.827 . 0 0 "[ . 1]" 1
669 1 44 ILE MG 1 46 GLN HG2 4.320 . 4.320 3.605 3.399 3.734 . 0 0 "[ . 1]" 1
670 1 44 ILE MG 1 46 GLN HG3 4.500 . 4.500 2.437 2.155 2.599 . 0 0 "[ . 1]" 1
671 1 45 ILE HA 1 45 ILE HG12 3.860 . 3.860 2.733 2.574 2.835 . 0 0 "[ . 1]" 1
672 1 45 ILE HA 1 45 ILE MD 4.590 . 4.590 3.912 3.835 3.962 . 0 0 "[ . 1]" 1
673 1 45 ILE HB 1 45 ILE MD 3.580 . 3.580 2.386 2.326 2.493 . 0 0 "[ . 1]" 1
674 1 45 ILE MD 1 45 ILE MG 3.930 . 3.930 2.014 1.797 2.150 0.003 8 0 "[ . 1]" 1
675 1 45 ILE H 1 45 ILE HB 3.800 . 3.800 2.745 2.589 2.872 . 0 0 "[ . 1]" 1
676 1 45 ILE H 1 45 ILE MG 4.040 . 4.040 3.832 3.797 3.932 . 0 0 "[ . 1]" 1
677 1 45 ILE H 1 45 ILE HG13 4.540 . 4.540 2.151 1.948 2.551 . 0 0 "[ . 1]" 1
678 1 45 ILE H 1 45 ILE HG12 5.060 . 5.060 3.391 3.159 3.812 . 0 0 "[ . 1]" 1
679 1 45 ILE H 1 45 ILE MD 4.400 . 4.400 3.654 3.483 3.904 . 0 0 "[ . 1]" 1
680 1 45 ILE HA 1 46 GLN H 3.360 . 3.360 2.172 2.146 2.211 . 0 0 "[ . 1]" 1
681 1 45 ILE HA 1 46 GLN HB2 5.250 . 5.250 4.376 4.288 4.471 . 0 0 "[ . 1]" 1
682 1 45 ILE HA 1 46 GLN HG2 5.500 . 5.500 5.525 5.504 5.566 0.066 10 0 "[ . 1]" 1
683 1 45 ILE HA 1 46 GLN HA 5.230 . 5.230 4.411 4.394 4.429 . 0 0 "[ . 1]" 1
684 1 45 ILE MD 1 46 GLN H 5.440 . 5.440 5.124 4.871 5.294 . 0 0 "[ . 1]" 1
685 1 45 ILE MG 1 46 GLN HB2 5.500 . 5.500 4.718 4.526 4.904 . 0 0 "[ . 1]" 1
686 1 45 ILE MG 1 46 GLN H 4.080 . 4.080 2.402 2.141 2.698 . 0 0 "[ . 1]" 1
687 1 45 ILE MG 1 46 GLN HA 4.900 . 4.900 3.676 3.405 3.800 . 0 0 "[ . 1]" 1
688 1 45 ILE MG 1 46 GLN HG2 5.500 . 5.500 5.523 5.434 5.562 0.062 3 0 "[ . 1]" 1
689 1 45 ILE MG 1 47 ASN H 5.020 . 5.020 4.595 3.473 4.848 . 0 0 "[ . 1]" 1
690 1 45 ILE MD 1 48 HIS HD2 5.500 . 5.500 4.267 3.788 5.530 0.030 8 0 "[ . 1]" 1
691 1 45 ILE MD 1 48 HIS QB 5.500 . 5.500 3.703 3.288 3.864 . 0 0 "[ . 1]" 1
692 1 45 ILE HG13 1 48 HIS QB 5.380 . 5.380 5.394 5.230 5.454 0.074 7 0 "[ . 1]" 1
693 1 45 ILE MG 1 48 HIS HD2 5.500 . 5.500 3.538 2.961 4.086 . 0 0 "[ . 1]" 1
694 1 45 ILE MG 1 48 HIS H 4.410 . 4.410 3.145 2.671 3.324 . 0 0 "[ . 1]" 1
695 1 45 ILE MG 1 48 HIS HA 3.950 . 3.950 3.409 3.326 3.785 . 0 0 "[ . 1]" 1
696 1 45 ILE MG 1 48 HIS QB 4.180 . 4.180 1.769 1.714 1.784 0.086 10 0 "[ . 1]" 1
697 1 45 ILE MG 1 49 ASP H 4.440 . 4.440 4.488 4.456 4.548 0.108 10 0 "[ . 1]" 1
698 1 45 ILE HB 1 72 VAL QG 5.350 . 5.350 3.368 3.118 3.585 . 0 0 "[ . 1]" 1
699 1 46 GLN HA 1 46 GLN HG2 3.840 . 3.840 2.553 2.402 2.723 . 0 0 "[ . 1]" 1
700 1 46 GLN H 1 46 GLN HG3 4.020 . 4.020 3.370 3.260 3.491 . 0 0 "[ . 1]" 1
701 1 46 GLN H 1 46 GLN HB3 3.710 . 3.710 3.785 3.730 3.825 0.115 10 0 "[ . 1]" 1
702 1 46 GLN H 1 46 GLN HB2 4.000 . 4.000 2.690 2.599 2.745 . 0 0 "[ . 1]" 1
703 1 46 GLN HA 1 47 ASN H 3.350 . 3.350 2.227 2.166 2.275 . 0 0 "[ . 1]" 1
704 1 46 GLN HB3 1 47 ASN QB 5.470 . 5.470 3.479 3.271 3.682 . 0 0 "[ . 1]" 1
705 1 46 GLN HB3 1 47 ASN H 4.660 . 4.660 3.024 2.786 3.766 . 0 0 "[ . 1]" 1
706 1 46 GLN HB2 1 47 ASN QB 5.300 . 5.300 4.128 3.939 4.615 . 0 0 "[ . 1]" 1
707 1 46 GLN HB2 1 47 ASN H 4.680 . 4.680 4.128 3.970 4.468 . 0 0 "[ . 1]" 1
708 1 46 GLN HG3 1 47 ASN H 5.410 . 5.410 4.794 4.661 4.846 . 0 0 "[ . 1]" 1
709 1 46 GLN H 1 47 ASN H 5.040 . 5.040 4.312 3.899 4.414 . 0 0 "[ . 1]" 1
710 1 46 GLN HA 1 72 VAL QG 5.500 . 5.500 3.683 3.537 3.871 . 0 0 "[ . 1]" 1
711 1 46 GLN HG3 1 72 VAL QG 5.500 . 5.500 5.560 5.539 5.583 0.083 5 0 "[ . 1]" 1
712 1 47 ASN HA 1 72 VAL QG 5.500 . 5.500 3.129 1.903 3.546 . 0 0 "[ . 1]" 1
713 1 48 HIS H 1 48 HIS HD2 5.480 . 5.480 5.069 2.645 5.409 . 0 0 "[ . 1]" 1
714 1 48 HIS HA 1 49 ASP H 3.290 . 3.290 2.445 2.345 2.727 . 0 0 "[ . 1]" 1
715 1 48 HIS H 1 49 ASP H 4.920 . 4.920 4.602 4.463 4.627 . 0 0 "[ . 1]" 1
716 1 48 HIS HD2 1 50 SER H 5.500 . 5.500 5.377 4.266 5.505 0.005 6 0 "[ . 1]" 1
717 1 48 HIS HD2 1 50 SER HA 5.490 . 5.490 4.316 4.113 4.375 . 0 0 "[ . 1]" 1
718 1 48 HIS QB 1 72 VAL QG 5.190 . 5.190 1.976 1.747 3.380 0.053 9 0 "[ . 1]" 1
719 1 48 HIS HD2 1 72 VAL QG 2.830 . 2.830 2.752 1.938 2.848 0.018 3 0 "[ . 1]" 1
720 1 48 HIS H 1 72 VAL QG 4.630 . 4.630 2.170 1.948 2.687 . 0 0 "[ . 1]" 1
721 1 49 ASP H 1 49 ASP HB3 3.990 . 3.990 3.132 2.687 3.753 . 0 0 "[ . 1]" 1
722 1 49 ASP H 1 49 ASP HB2 4.000 . 4.000 2.757 2.239 3.650 . 0 0 "[ . 1]" 1
723 1 49 ASP HA 1 50 SER HA 5.210 . 5.210 4.332 4.318 4.365 . 0 0 "[ . 1]" 1
724 1 50 SER HA 1 51 SER QB 4.870 . 4.870 4.530 4.252 4.894 0.024 9 0 "[ . 1]" 1
725 1 50 SER H 1 51 SER H 4.210 . 4.210 4.209 4.152 4.281 0.071 10 0 "[ . 1]" 1
726 1 50 SER HA 1 72 VAL H 5.500 . 5.500 4.096 3.466 4.436 . 0 0 "[ . 1]" 1
727 1 50 SER HA 1 72 VAL QG 5.500 . 5.500 4.538 3.626 4.948 . 0 0 "[ . 1]" 1
728 1 50 SER H 1 72 VAL QG 5.270 . 5.270 4.396 3.849 5.038 . 0 0 "[ . 1]" 1
729 1 51 SER H 1 51 SER QB 3.320 . 3.320 3.144 2.930 3.421 0.101 1 0 "[ . 1]" 1
730 1 51 SER HA 1 52 PRO HG3 4.410 . 4.410 4.365 3.855 4.499 0.089 8 0 "[ . 1]" 1
731 1 51 SER QB 1 52 PRO HD3 3.160 . 3.160 2.692 2.233 2.928 . 0 0 "[ . 1]" 1
732 1 51 SER QB 1 52 PRO HG2 3.850 . 3.850 3.908 3.861 4.023 0.173 10 0 "[ . 1]" 1
733 1 51 SER QB 1 52 PRO HG3 4.870 . 4.870 4.345 4.190 4.469 . 0 0 "[ . 1]" 1
734 1 51 SER HA 1 69 ASN HB3 4.840 . 4.840 4.952 4.623 5.119 0.279 8 0 "[ . 1]" 1
735 1 52 PRO HA 1 53 LEU H 3.430 . 3.430 2.413 2.367 2.452 . 0 0 "[ . 1]" 1
736 1 52 PRO HA 1 53 LEU HG 5.090 . 5.090 4.505 4.013 4.626 . 0 0 "[ . 1]" 1
737 1 52 PRO HB3 1 53 LEU H 4.640 . 4.640 3.362 3.058 3.439 . 0 0 "[ . 1]" 1
738 1 52 PRO HG3 1 53 LEU H 5.460 . 5.460 4.911 4.867 5.001 . 0 0 "[ . 1]" 1
739 1 52 PRO HA 1 67 TYR QE 4.080 . 4.080 3.804 3.502 3.887 . 0 0 "[ . 1]" 1
740 1 52 PRO HB3 1 67 TYR QE 4.990 . 4.990 2.290 1.896 2.471 . 0 0 "[ . 1]" 1
741 1 52 PRO HB2 1 67 TYR QE 5.500 . 5.500 1.846 1.773 2.066 0.027 7 0 "[ . 1]" 1
742 1 52 PRO HG3 1 67 TYR QD 5.500 . 5.500 5.403 5.125 5.545 0.045 4 0 "[ . 1]" 1
743 1 52 PRO HG2 1 67 TYR QD 5.500 . 5.500 5.623 5.602 5.663 0.163 4 0 "[ . 1]" 1
744 1 52 PRO HG2 1 67 TYR QE 4.090 . 4.090 3.648 3.572 3.691 . 0 0 "[ . 1]" 1
745 1 52 PRO HA 1 69 ASN HB3 5.230 . 5.230 2.117 1.828 3.631 . 0 0 "[ . 1]" 1
746 1 52 PRO HB3 1 69 ASN HB3 4.590 . 4.590 1.950 1.766 3.436 0.034 5 0 "[ . 1]" 1
747 1 52 PRO HB2 1 69 ASN HA 5.100 . 5.100 4.372 3.923 4.610 . 0 0 "[ . 1]" 1
748 1 53 LEU HA 1 53 LEU MD2 4.760 . 4.760 4.122 4.108 4.135 . 0 0 "[ . 1]" 1
749 1 53 LEU H 1 53 LEU HG 5.120 . 5.120 3.327 3.118 3.398 . 0 0 "[ . 1]" 1
750 1 53 LEU H 1 53 LEU MD1 4.430 . 4.430 4.004 3.791 4.110 . 0 0 "[ . 1]" 1
751 1 53 LEU H 1 53 LEU MD2 5.080 . 5.080 4.461 4.400 4.498 . 0 0 "[ . 1]" 1
752 1 53 LEU HA 1 54 THR H 3.120 . 3.120 2.252 2.228 2.295 . 0 0 "[ . 1]" 1
753 1 53 LEU QB 1 54 THR H 3.470 . 3.470 2.895 2.715 2.940 . 0 0 "[ . 1]" 1
754 1 53 LEU QB 1 54 THR HB 4.940 . 4.940 5.029 4.950 5.075 0.135 7 0 "[ . 1]" 1
755 1 53 LEU MD1 1 54 THR H 4.170 . 4.170 2.498 2.421 2.674 . 0 0 "[ . 1]" 1
756 1 53 LEU MD1 1 54 THR HB 5.280 . 5.280 3.971 3.873 4.271 . 0 0 "[ . 1]" 1
757 1 53 LEU MD2 1 54 THR H 4.510 . 4.510 4.589 4.558 4.628 0.118 4 0 "[ . 1]" 1
758 1 53 LEU MD2 1 54 THR HA 5.500 . 5.500 5.478 5.430 5.553 0.053 3 0 "[ . 1]" 1
759 1 53 LEU HG 1 54 THR H 4.720 . 4.720 4.277 4.176 4.509 . 0 0 "[ . 1]" 1
760 1 53 LEU MD1 1 55 VAL HA 5.500 . 5.500 2.685 2.631 2.940 . 0 0 "[ . 1]" 1
761 1 53 LEU MD1 1 55 VAL HB 4.440 . 4.440 2.065 1.881 2.169 . 0 0 "[ . 1]" 1
762 1 53 LEU MD1 1 55 VAL MG2 3.640 . 3.640 2.715 2.639 2.854 . 0 0 "[ . 1]" 1
763 1 53 LEU MD1 1 55 VAL H 5.500 . 5.500 2.417 2.363 2.627 . 0 0 "[ . 1]" 1
764 1 53 LEU MD2 1 55 VAL HB 5.390 . 5.390 3.626 3.326 3.951 . 0 0 "[ . 1]" 1
765 1 53 LEU MD2 1 55 VAL H 5.500 . 5.500 5.004 4.940 5.196 . 0 0 "[ . 1]" 1
766 1 53 LEU MD2 1 55 VAL HA 5.500 . 5.500 4.691 4.608 4.959 . 0 0 "[ . 1]" 1
767 1 53 LEU MD2 1 55 VAL MG2 3.660 . 3.660 3.697 3.674 3.729 0.069 3 0 "[ . 1]" 1
768 1 53 LEU H 1 67 TYR QD 5.500 . 5.500 3.457 3.019 3.735 . 0 0 "[ . 1]" 1
769 1 53 LEU H 1 67 TYR QE 5.500 . 5.500 3.219 2.825 3.393 . 0 0 "[ . 1]" 1
770 1 53 LEU QB 1 68 LEU H 4.850 . 4.850 4.408 4.323 4.518 . 0 0 "[ . 1]" 1
771 1 53 LEU QB 1 68 LEU MD2 5.300 . 5.300 3.088 2.759 5.356 0.056 3 0 "[ . 1]" 1
772 1 53 LEU QB 1 68 LEU HB2 5.100 . 5.100 5.312 5.278 5.337 0.237 1 0 "[ . 1]" 1
773 1 53 LEU QB 1 68 LEU MD1 4.790 . 4.790 4.667 3.366 4.827 0.037 5 0 "[ . 1]" 1
774 1 53 LEU MD1 1 68 LEU HB3 4.420 . 4.420 2.695 1.898 2.821 . 0 0 "[ . 1]" 1
775 1 53 LEU MD1 1 68 LEU H 5.070 . 5.070 3.079 2.527 3.414 . 0 0 "[ . 1]" 1
776 1 53 LEU MD1 1 68 LEU MD2 4.120 . 4.120 3.492 3.379 4.249 0.129 3 0 "[ . 1]" 1
777 1 53 LEU MD1 1 68 LEU HB2 4.790 . 4.790 3.627 2.677 3.802 . 0 0 "[ . 1]" 1
778 1 53 LEU MD2 1 68 LEU H 5.500 . 5.500 4.412 4.204 4.802 . 0 0 "[ . 1]" 1
779 1 53 LEU MD2 1 68 LEU MD2 4.430 . 4.430 2.021 1.789 3.913 0.011 5 0 "[ . 1]" 1
780 1 53 LEU HG 1 68 LEU HG 4.180 . 4.180 4.202 3.960 4.245 0.065 9 0 "[ . 1]" 1
781 1 53 LEU HG 1 69 ASN HA 5.060 . 5.060 5.049 4.518 5.145 0.085 8 0 "[ . 1]" 1
782 1 53 LEU H 1 69 ASN HA 4.340 . 4.340 3.874 3.606 4.025 . 0 0 "[ . 1]" 1
783 1 54 THR H 1 54 THR HB 3.470 . 3.470 2.354 2.293 2.455 . 0 0 "[ . 1]" 1
784 1 54 THR H 1 54 THR MG 4.450 . 4.450 3.706 3.619 3.777 . 0 0 "[ . 1]" 1
785 1 54 THR HA 1 55 VAL HB 5.280 . 5.280 4.465 4.341 4.572 . 0 0 "[ . 1]" 1
786 1 54 THR HA 1 55 VAL H 3.510 . 3.510 2.149 2.124 2.170 . 0 0 "[ . 1]" 1
787 1 54 THR MG 1 55 VAL H 3.960 . 3.960 3.104 2.988 3.289 . 0 0 "[ . 1]" 1
788 1 54 THR H 1 55 VAL H 5.220 . 5.220 4.231 4.213 4.247 . 0 0 "[ . 1]" 1
789 1 54 THR MG 1 56 SER H 4.550 . 4.550 4.355 4.236 4.557 0.007 9 0 "[ . 1]" 1
790 1 54 THR MG 1 56 SER HA 5.470 . 5.470 4.501 4.339 4.743 . 0 0 "[ . 1]" 1
791 1 54 THR HA 1 65 THR MG 5.500 . 5.500 5.305 4.971 5.519 0.019 6 0 "[ . 1]" 1
792 1 54 THR MG 1 66 MET H 4.910 . 4.910 3.978 3.609 4.330 . 0 0 "[ . 1]" 1
793 1 54 THR HA 1 67 TYR H 5.420 . 5.420 4.963 4.687 5.369 . 0 0 "[ . 1]" 1
794 1 54 THR HA 1 67 TYR HA 4.360 . 4.360 2.498 2.203 2.823 . 0 0 "[ . 1]" 1
795 1 54 THR HA 1 67 TYR QD 4.060 . 4.060 2.957 2.487 3.202 . 0 0 "[ . 1]" 1
796 1 54 THR MG 1 67 TYR QD 4.940 . 4.940 3.549 3.355 3.801 . 0 0 "[ . 1]" 1
797 1 54 THR MG 1 67 TYR QE 5.500 . 5.500 3.864 3.676 4.021 . 0 0 "[ . 1]" 1
798 1 54 THR MG 1 67 TYR HA 5.500 . 5.500 4.284 4.003 4.569 . 0 0 "[ . 1]" 1
799 1 54 THR H 1 67 TYR QD 5.500 . 5.500 4.893 4.654 5.062 . 0 0 "[ . 1]" 1
800 1 54 THR HA 1 68 LEU H 4.660 . 4.660 3.405 3.210 3.752 . 0 0 "[ . 1]" 1
801 1 55 VAL H 1 55 VAL HB 3.920 . 3.920 2.636 2.516 2.820 . 0 0 "[ . 1]" 1
802 1 55 VAL H 1 55 VAL MG2 3.870 . 3.870 3.826 3.790 3.860 . 0 0 "[ . 1]" 1
803 1 55 VAL HA 1 56 SER QB 4.200 . 4.200 4.102 3.977 4.339 0.139 5 0 "[ . 1]" 1
804 1 55 VAL HA 1 56 SER HA 5.410 . 5.410 4.373 4.352 4.411 . 0 0 "[ . 1]" 1
805 1 55 VAL MG2 1 56 SER H 3.710 . 3.710 2.399 2.026 2.533 . 0 0 "[ . 1]" 1
806 1 55 VAL MG2 1 56 SER QB 5.310 . 5.310 4.294 4.115 4.561 . 0 0 "[ . 1]" 1
807 1 55 VAL MG2 1 56 SER HA 5.500 . 5.500 4.064 3.897 4.214 . 0 0 "[ . 1]" 1
808 1 55 VAL MG2 1 57 CYS H 5.500 . 5.500 5.026 4.570 5.376 . 0 0 "[ . 1]" 1
809 1 55 VAL MG2 1 65 THR MG 5.500 . 5.500 4.868 4.614 5.147 . 0 0 "[ . 1]" 1
810 1 55 VAL MG2 1 65 THR HA 5.500 . 5.500 4.925 4.793 5.011 . 0 0 "[ . 1]" 1
811 1 55 VAL H 1 65 THR HB 5.010 . 5.010 4.965 4.576 5.047 0.037 9 0 "[ . 1]" 1
812 1 55 VAL H 1 65 THR HA 5.360 . 5.360 5.095 4.896 5.369 0.009 8 0 "[ . 1]" 1
813 1 55 VAL H 1 65 THR MG 4.940 . 4.940 4.700 4.237 4.973 0.033 5 0 "[ . 1]" 1
814 1 55 VAL H 1 66 MET H 4.900 . 4.900 3.284 3.139 3.584 . 0 0 "[ . 1]" 1
815 1 55 VAL HB 1 66 MET H 5.450 . 5.450 4.704 4.446 5.157 . 0 0 "[ . 1]" 1
816 1 55 VAL MG2 1 66 MET H 4.510 . 4.510 4.540 4.497 4.596 0.086 3 0 "[ . 1]" 1
817 1 55 VAL H 1 67 TYR QD 5.500 . 5.500 4.545 3.959 4.779 . 0 0 "[ . 1]" 1
818 1 55 VAL H 1 67 TYR HA 5.010 . 5.010 3.030 2.870 3.161 . 0 0 "[ . 1]" 1
819 1 55 VAL HB 1 68 LEU HB3 3.390 . 3.390 3.451 3.420 3.501 0.111 4 0 "[ . 1]" 1
820 1 55 VAL HB 1 68 LEU HB2 3.930 . 3.930 3.523 3.113 3.637 . 0 0 "[ . 1]" 1
821 1 55 VAL HB 1 68 LEU MD1 4.700 . 4.700 3.950 3.569 4.543 . 0 0 "[ . 1]" 1
822 1 56 SER H 1 56 SER QB 3.720 . 3.720 2.503 2.381 2.710 . 0 0 "[ . 1]" 1
823 1 56 SER HA 1 57 CYS H 3.590 . 3.590 2.365 2.149 2.578 . 0 0 "[ . 1]" 1
824 1 56 SER QB 1 57 CYS H 3.840 . 3.840 3.091 2.052 3.740 . 0 0 "[ . 1]" 1
825 1 56 SER HA 1 65 THR MG 4.890 . 4.890 1.878 1.820 1.969 . 0 0 "[ . 1]" 1
826 1 56 SER HA 1 65 THR HA 4.150 . 4.150 2.146 1.929 2.395 . 0 0 "[ . 1]" 1
827 1 56 SER QB 1 65 THR HA 4.270 . 4.270 3.971 3.846 4.163 . 0 0 "[ . 1]" 1
828 1 56 SER QB 1 65 THR MG 4.240 . 4.240 2.036 1.850 2.370 . 0 0 "[ . 1]" 1
829 1 56 SER HA 1 66 MET H 4.580 . 4.580 3.568 3.261 3.909 . 0 0 "[ . 1]" 1
830 1 56 SER QB 1 66 MET H 5.060 . 5.060 4.989 4.797 5.155 0.095 9 0 "[ . 1]" 1
831 1 57 CYS HA 1 58 THR H 3.430 . 3.430 2.229 2.189 2.291 . 0 0 "[ . 1]" 1
832 1 57 CYS HA 1 58 THR HB 4.350 . 4.350 4.426 4.393 4.438 0.088 1 0 "[ . 1]" 1
833 1 57 CYS HB3 1 58 THR H 3.810 . 3.810 3.612 3.454 3.927 0.117 5 0 "[ . 1]" 1
834 1 57 CYS H 1 65 THR H 5.250 . 5.250 5.004 4.628 5.250 0.000 7 0 "[ . 1]" 1
835 1 57 CYS H 1 65 THR HA 4.950 . 4.950 3.492 3.048 3.784 . 0 0 "[ . 1]" 1
836 1 57 CYS H 1 65 THR MG 5.030 . 5.030 2.911 2.621 3.266 . 0 0 "[ . 1]" 1
837 1 58 THR HA 1 58 THR MG 3.460 . 3.460 2.426 2.369 2.473 . 0 0 "[ . 1]" 1
838 1 58 THR H 1 58 THR HB 3.890 . 3.890 2.718 2.644 2.738 . 0 0 "[ . 1]" 1
839 1 58 THR HA 1 59 ALA H 2.930 . 2.930 2.180 2.148 2.194 . 0 0 "[ . 1]" 1
840 1 58 THR HA 1 59 ALA MB 4.600 . 4.600 4.102 4.053 4.124 . 0 0 "[ . 1]" 1
841 1 58 THR HB 1 59 ALA HA 4.820 . 4.820 4.877 4.871 4.888 0.068 3 0 "[ . 1]" 1
842 1 58 THR MG 1 59 ALA H 3.680 . 3.680 3.236 2.959 3.370 . 0 0 "[ . 1]" 1
843 1 58 THR MG 1 62 GLN H 4.420 . 4.420 3.676 3.027 3.949 . 0 0 "[ . 1]" 1
844 1 58 THR HA 1 63 GLU HB3 5.150 . 5.150 5.051 4.594 5.172 0.022 5 0 "[ . 1]" 1
845 1 58 THR MG 1 63 GLU HB3 5.290 . 5.290 5.032 4.296 5.295 0.005 1 0 "[ . 1]" 1
846 1 59 ALA H 1 59 ALA MB 3.610 . 3.610 2.437 2.401 2.467 . 0 0 "[ . 1]" 1
847 1 59 ALA HA 1 60 GLY HA3 4.960 . 4.960 4.354 4.339 4.364 . 0 0 "[ . 1]" 1
848 1 59 ALA HA 1 60 GLY HA2 5.330 . 5.330 4.409 4.395 4.424 . 0 0 "[ . 1]" 1
849 1 59 ALA MB 1 60 GLY H 5.500 . 5.500 3.462 3.413 3.525 . 0 0 "[ . 1]" 1
850 1 59 ALA H 1 60 GLY H 5.500 . 5.500 4.115 4.028 4.197 . 0 0 "[ . 1]" 1
851 1 59 ALA MB 1 62 GLN H 4.580 . 4.580 3.878 3.776 3.965 . 0 0 "[ . 1]" 1
852 1 59 ALA MB 1 62 GLN HB3 5.260 . 5.260 3.676 3.482 3.800 . 0 0 "[ . 1]" 1
853 1 59 ALA MB 1 62 GLN HB2 4.880 . 4.880 2.744 2.607 2.892 . 0 0 "[ . 1]" 1
854 1 59 ALA H 1 62 GLN HB3 4.860 . 4.860 3.515 3.349 3.777 . 0 0 "[ . 1]" 1
855 1 59 ALA H 1 62 GLN H 3.730 . 3.730 3.287 3.233 3.385 . 0 0 "[ . 1]" 1
856 1 59 ALA H 1 64 HIS H 4.900 . 4.900 4.748 4.533 4.912 0.012 7 0 "[ . 1]" 1
857 1 60 GLY HA3 1 61 ASP HA 5.500 . 5.500 4.388 4.382 4.390 . 0 0 "[ . 1]" 1
858 1 60 GLY HA2 1 61 ASP QB 5.210 . 5.210 4.741 4.556 5.109 . 0 0 "[ . 1]" 1
859 1 60 GLY HA2 1 61 ASP HA 5.110 . 5.110 4.513 4.503 4.517 . 0 0 "[ . 1]" 1
860 1 60 GLY HA3 1 62 GLN H 4.190 . 4.190 3.872 3.853 3.889 . 0 0 "[ . 1]" 1
861 1 60 GLY HA2 1 62 GLN H 5.320 . 5.320 4.598 4.533 4.622 . 0 0 "[ . 1]" 1
862 1 61 ASP HA 1 62 GLN H 3.480 . 3.480 2.941 2.925 2.958 . 0 0 "[ . 1]" 1
863 1 61 ASP HA 1 62 GLN HB2 5.240 . 5.240 5.197 5.162 5.231 . 0 0 "[ . 1]" 1
864 1 61 ASP QB 1 62 GLN H 3.790 . 3.790 3.780 3.768 3.791 0.001 6 0 "[ . 1]" 1
865 1 61 ASP QB 1 62 GLN HA 4.810 . 4.810 4.286 4.233 4.373 . 0 0 "[ . 1]" 1
866 1 61 ASP H 1 62 GLN H 4.480 . 4.480 2.588 2.550 2.630 . 0 0 "[ . 1]" 1
867 1 61 ASP H 1 62 GLN HG3 5.500 . 5.500 4.860 4.626 5.103 . 0 0 "[ . 1]" 1
868 1 61 ASP H 1 62 GLN HB2 5.340 . 5.340 3.877 3.809 3.979 . 0 0 "[ . 1]" 1
869 1 62 GLN HA 1 62 GLN HG3 4.060 . 4.060 2.683 2.069 3.607 . 0 0 "[ . 1]" 1
870 1 62 GLN HB3 1 62 GLN HG3 2.830 . 2.830 2.735 2.656 2.790 . 0 0 "[ . 1]" 1
871 1 62 GLN H 1 62 GLN HB3 3.550 . 3.550 3.539 3.502 3.562 0.012 10 0 "[ . 1]" 1
872 1 62 GLN H 1 62 GLN HB2 3.340 . 3.340 2.391 2.351 2.482 . 0 0 "[ . 1]" 1
873 1 62 GLN H 1 62 GLN HG3 4.060 . 4.060 4.036 3.953 4.067 0.007 4 0 "[ . 1]" 1
874 1 62 GLN HA 1 63 GLU H 3.590 . 3.590 2.279 2.263 2.290 . 0 0 "[ . 1]" 1
875 1 62 GLN HB3 1 63 GLU H 5.010 . 5.010 2.865 2.822 2.926 . 0 0 "[ . 1]" 1
876 1 62 GLN HB2 1 63 GLU H 4.290 . 4.290 4.119 4.085 4.157 . 0 0 "[ . 1]" 1
877 1 62 GLN HG3 1 63 GLU H 4.940 . 4.940 4.113 3.471 4.933 . 0 0 "[ . 1]" 1
878 1 62 GLN H 1 63 GLU H 5.500 . 5.500 4.503 4.463 4.524 . 0 0 "[ . 1]" 1
879 1 63 GLU HA 1 64 HIS H 3.330 . 3.330 2.163 2.138 2.190 . 0 0 "[ . 1]" 1
880 1 63 GLU HB3 1 64 HIS H 5.120 . 5.120 3.697 3.425 3.877 . 0 0 "[ . 1]" 1
881 1 64 HIS H 1 64 HIS HB2 4.190 . 4.190 2.544 2.454 2.685 . 0 0 "[ . 1]" 1
882 1 64 HIS HB2 1 65 THR MG 5.500 . 5.500 5.300 5.047 5.507 0.007 1 0 "[ . 1]" 1
883 1 65 THR H 1 65 THR MG 3.780 . 3.780 3.475 3.232 3.621 . 0 0 "[ . 1]" 1
884 1 65 THR HA 1 66 MET HB3 5.320 . 5.320 4.441 4.316 4.556 . 0 0 "[ . 1]" 1
885 1 65 THR HB 1 66 MET H 4.780 . 4.780 2.832 2.772 2.920 . 0 0 "[ . 1]" 1
886 1 65 THR MG 1 66 MET H 4.210 . 4.210 3.370 3.128 3.631 . 0 0 "[ . 1]" 1
887 1 65 THR MG 1 66 MET HA 5.500 . 5.500 5.190 5.037 5.351 . 0 0 "[ . 1]" 1
888 1 66 MET HA 1 66 MET ME 5.150 . 5.150 3.285 2.928 3.601 . 0 0 "[ . 1]" 1
889 1 66 MET HB3 1 66 MET ME 3.740 . 3.740 3.349 3.292 3.530 . 0 0 "[ . 1]" 1
890 1 66 MET H 1 66 MET ME 5.500 . 5.500 4.933 4.662 5.284 . 0 0 "[ . 1]" 1
891 1 66 MET HA 1 67 TYR HB2 5.470 . 5.470 4.196 4.132 4.265 . 0 0 "[ . 1]" 1
892 1 66 MET HB3 1 67 TYR H 5.140 . 5.140 3.908 3.628 4.189 . 0 0 "[ . 1]" 1
893 1 66 MET HG3 1 67 TYR HB2 5.500 . 5.500 4.523 4.342 4.777 . 0 0 "[ . 1]" 1
894 1 66 MET HG3 1 67 TYR H 5.080 . 5.080 2.306 1.961 2.762 . 0 0 "[ . 1]" 1
895 1 66 MET HG2 1 67 TYR HB2 5.500 . 5.500 4.991 4.737 5.233 . 0 0 "[ . 1]" 1
896 1 66 MET HG2 1 67 TYR HA 5.500 . 5.500 4.374 4.073 4.556 . 0 0 "[ . 1]" 1
897 1 66 MET HG2 1 67 TYR H 5.280 . 5.280 2.883 2.481 3.265 . 0 0 "[ . 1]" 1
898 1 67 TYR H 1 67 TYR QD 5.460 . 5.460 3.991 3.766 4.155 . 0 0 "[ . 1]" 1
899 1 67 TYR HB2 1 68 LEU H 4.760 . 4.760 4.435 4.236 4.557 . 0 0 "[ . 1]" 1
900 1 67 TYR QD 1 68 LEU H 4.800 . 4.800 3.704 3.243 3.987 . 0 0 "[ . 1]" 1
901 1 67 TYR QD 1 69 ASN HB3 4.080 . 4.080 3.271 2.947 4.105 0.025 8 0 "[ . 1]" 1
902 1 67 TYR QE 1 69 ASN HB3 4.640 . 4.640 3.443 3.228 4.691 0.051 8 0 "[ . 1]" 1
903 1 67 TYR QE 1 69 ASN HB2 4.660 . 4.660 4.566 3.214 4.793 0.133 4 0 "[ . 1]" 1
904 1 68 LEU HA 1 68 LEU MD1 3.900 . 3.900 3.518 3.474 3.579 . 0 0 "[ . 1]" 1
905 1 68 LEU HB3 1 68 LEU MD1 3.150 . 3.150 2.636 2.078 2.711 . 0 0 "[ . 1]" 1
906 1 68 LEU H 1 68 LEU MD2 5.160 . 5.160 3.785 3.694 4.107 . 0 0 "[ . 1]" 1
907 1 68 LEU H 1 68 LEU MD1 5.310 . 5.310 4.479 3.962 4.664 . 0 0 "[ . 1]" 1
908 1 68 LEU MD1 1 69 ASN H 4.850 . 4.850 4.691 4.061 4.864 0.014 4 0 "[ . 1]" 1
909 1 68 LEU MD2 1 69 ASN H 5.500 . 5.500 3.707 2.526 3.962 . 0 0 "[ . 1]" 1
910 1 68 LEU HG 1 69 ASN H 5.500 . 5.500 3.542 3.185 5.070 . 0 0 "[ . 1]" 1
911 1 68 LEU HA 1 70 ALA MB 5.350 . 5.350 4.820 4.691 4.902 . 0 0 "[ . 1]" 1
912 1 68 LEU MD1 1 70 ALA H 5.500 . 5.500 5.004 3.529 5.247 . 0 0 "[ . 1]" 1
913 1 68 LEU MD2 1 70 ALA H 5.500 . 5.500 3.014 2.785 3.165 . 0 0 "[ . 1]" 1
914 1 68 LEU MD2 1 70 ALA MB 3.990 . 3.990 3.706 2.830 3.942 . 0 0 "[ . 1]" 1
915 1 69 ASN HB3 1 70 ALA H 4.590 . 4.590 4.281 3.933 4.407 . 0 0 "[ . 1]" 1
916 1 69 ASN H 1 70 ALA MB 5.270 . 5.270 3.756 3.708 3.833 . 0 0 "[ . 1]" 1
917 1 70 ALA MB 1 71 LYS H 3.460 . 3.460 2.065 2.036 2.138 . 0 0 "[ . 1]" 1
918 1 71 LYS QB 1 72 VAL H 5.030 . 5.030 2.939 2.774 3.505 . 0 0 "[ . 1]" 1
919 1 72 VAL HB 1 73 GLY H 4.540 . 4.540 2.902 2.889 2.917 . 0 0 "[ . 1]" 1
920 1 72 VAL QG 1 73 GLY H 4.540 . 4.540 3.354 3.296 3.394 . 0 0 "[ . 1]" 1
921 1 72 VAL QG 1 73 GLY QA 5.210 . 5.210 3.636 3.497 3.769 . 0 0 "[ . 1]" 1
922 1 72 VAL H 1 73 GLY H 5.500 . 5.500 4.546 4.545 4.548 . 0 0 "[ . 1]" 1
923 1 75 ALA MB 1 76 ASP HB2 4.170 . 4.170 3.667 3.486 3.902 . 0 0 "[ . 1]" 1
924 1 75 ALA MB 1 76 ASP HB3 4.650 . 4.650 4.677 4.640 4.760 0.110 3 0 "[ . 1]" 1
925 1 75 ALA MB 1 76 ASP H 5.500 . 5.500 2.022 1.912 2.293 . 0 0 "[ . 1]" 1
926 1 75 ALA MB 1 76 ASP HA 4.060 . 4.060 3.862 3.637 4.053 . 0 0 "[ . 1]" 1
927 1 76 ASP HA 1 76 ASP HB3 2.850 . 2.850 2.481 2.426 2.574 . 0 0 "[ . 1]" 1
928 1 76 ASP HB3 1 77 ASP HA 4.220 . 4.220 4.248 4.224 4.324 0.104 3 0 "[ . 1]" 1
929 1 76 ASP HB2 1 77 ASP HA 4.350 . 4.350 4.365 4.268 4.411 0.061 3 0 "[ . 1]" 1
930 1 98 SER HA 1 99 VAL HA 4.490 . 4.490 4.404 4.383 4.493 0.003 8 0 "[ . 1]" 1
931 1 98 SER HA 1 99 VAL MG1 4.980 . 4.980 3.777 3.518 3.917 . 0 0 "[ . 1]" 1
932 1 98 SER QB 1 99 VAL H 5.500 . 5.500 3.373 2.993 3.719 . 0 0 "[ . 1]" 1
933 1 98 SER QB 1 102 LEU HG 5.150 . 5.150 4.626 2.936 5.154 0.004 8 0 "[ . 1]" 1
934 1 98 SER QB 1 102 LEU MD1 5.040 . 5.040 4.398 3.130 5.041 0.001 3 0 "[ . 1]" 1
935 1 99 VAL HA 1 99 VAL MG2 3.310 . 3.310 2.409 2.221 3.201 . 0 0 "[ . 1]" 1
936 1 99 VAL MG2 1 100 ALA H 5.410 . 5.410 3.721 3.464 4.088 . 0 0 "[ . 1]" 1
937 1 99 VAL MG1 1 101 LYS H 5.430 . 5.430 4.664 3.760 5.446 0.016 5 0 "[ . 1]" 1
938 1 100 ALA HA 1 101 LYS H 2.990 . 2.990 2.669 2.372 2.878 . 0 0 "[ . 1]" 1
939 1 100 ALA HA 1 102 LEU QB 4.470 . 4.470 4.433 4.287 4.479 0.009 4 0 "[ . 1]" 1
940 1 100 ALA HA 1 102 LEU HG 4.180 . 4.180 3.879 3.367 4.184 0.004 8 0 "[ . 1]" 1
941 1 100 ALA HA 1 102 LEU MD1 4.330 . 4.330 3.933 3.132 4.360 0.030 6 0 "[ . 1]" 1
942 1 101 LYS HA 1 101 LYS HG3 3.600 . 3.600 2.703 2.055 3.371 . 0 0 "[ . 1]" 1
943 1 101 LYS H 1 101 LYS QB 3.400 . 3.400 2.652 2.415 3.089 . 0 0 "[ . 1]" 1
944 1 101 LYS QB 1 102 LEU MD2 5.500 . 5.500 4.344 2.829 5.407 . 0 0 "[ . 1]" 1
945 1 101 LYS H 1 102 LEU QB 4.340 . 4.340 4.328 4.191 4.389 0.049 6 0 "[ . 1]" 1
946 1 101 LYS H 1 102 LEU HG 4.460 . 4.460 3.421 2.744 4.473 0.013 1 0 "[ . 1]" 1
947 1 102 LEU HA 1 102 LEU HG 3.920 . 3.920 2.938 2.615 3.311 . 0 0 "[ . 1]" 1
948 1 102 LEU HA 1 102 LEU MD2 3.410 . 3.410 2.190 1.968 2.494 . 0 0 "[ . 1]" 1
949 1 102 LEU QB 1 102 LEU MD2 3.080 . 3.080 2.220 2.029 2.309 . 0 0 "[ . 1]" 1
950 1 102 LEU QB 1 102 LEU MD1 2.570 . 2.570 2.044 1.967 2.097 . 0 0 "[ . 1]" 1
951 1 102 LEU H 1 102 LEU HG 5.030 . 5.030 2.692 2.477 2.951 . 0 0 "[ . 1]" 1
952 1 102 LEU QB 1 103 GLY QA 5.250 . 5.250 3.844 3.389 4.109 . 0 0 "[ . 1]" 1
953 1 102 LEU QB 1 107 LEU HA 4.330 . 4.330 3.584 2.285 4.352 0.022 8 0 "[ . 1]" 1
954 1 102 LEU MD1 1 107 LEU H 4.910 . 4.910 3.879 1.954 4.927 0.017 1 0 "[ . 1]" 1
955 1 102 LEU MD1 1 107 LEU QD 4.090 . 4.090 3.466 2.278 4.091 0.001 7 0 "[ . 1]" 1
956 1 102 LEU MD2 1 107 LEU QD 4.120 . 4.120 3.786 3.124 4.134 0.014 9 0 "[ . 1]" 1
957 1 102 LEU MD2 1 107 LEU HA 5.500 . 5.500 3.645 2.194 4.917 . 0 0 "[ . 1]" 1
958 1 102 LEU HA 1 108 SER QB 5.320 . 5.320 5.149 4.340 5.335 0.015 4 0 "[ . 1]" 1
959 1 102 LEU QB 1 108 SER QB 5.350 . 5.350 3.520 1.914 4.456 . 0 0 "[ . 1]" 1
960 1 102 LEU MD1 1 108 SER QB 4.060 . 4.060 2.001 1.793 2.416 0.007 8 0 "[ . 1]" 1
961 1 102 LEU MD1 1 108 SER HA 3.550 . 3.550 3.284 2.229 3.584 0.034 4 0 "[ . 1]" 1
962 1 102 LEU MD2 1 108 SER QB 4.740 . 4.740 2.514 1.898 4.062 . 0 0 "[ . 1]" 1
963 1 105 HIS HA 1 106 GLY H 3.460 . 3.460 2.922 2.250 3.536 0.076 6 0 "[ . 1]" 1
964 1 107 LEU HA 1 107 LEU QD 4.210 . 4.210 2.708 1.897 3.411 . 0 0 "[ . 1]" 1
965 1 107 LEU H 1 107 LEU QD 4.860 . 4.860 3.443 1.834 3.968 . 0 0 "[ . 1]" 1
966 1 107 LEU H 1 107 LEU HB2 4.050 . 4.050 3.190 2.660 3.958 . 0 0 "[ . 1]" 1
967 1 107 LEU HB2 1 108 SER H 4.910 . 4.910 3.828 2.302 4.567 . 0 0 "[ . 1]" 1
968 1 107 LEU QD 1 108 SER QB 5.500 . 5.500 4.095 3.466 4.482 . 0 0 "[ . 1]" 1
969 1 107 LEU QD 1 108 SER H 4.640 . 4.640 2.733 1.856 3.601 . 0 0 "[ . 1]" 1
970 1 107 LEU QD 1 108 SER HA 3.560 . 3.560 3.112 2.715 3.562 0.002 4 0 "[ . 1]" 1
971 1 107 LEU HG 1 108 SER H 5.400 . 5.400 4.122 2.945 5.069 . 0 0 "[ . 1]" 1
972 1 107 LEU H 1 108 SER QB 5.070 . 5.070 4.562 3.828 5.077 0.007 3 0 "[ . 1]" 1
973 1 108 SER HA 1 109 MET HG2 5.500 . 5.500 5.604 5.570 5.664 0.164 3 0 "[ . 1]" 1
974 1 108 SER HA 1 109 MET H 3.430 . 3.430 2.219 2.122 2.361 . 0 0 "[ . 1]" 1
975 1 108 SER QB 1 109 MET H 3.970 . 3.970 3.209 2.548 3.885 . 0 0 "[ . 1]" 1
976 1 108 SER H 1 109 MET H 5.500 . 5.500 4.269 3.992 4.458 . 0 0 "[ . 1]" 1
977 1 109 MET HA 1 109 MET ME 5.500 . 5.500 3.886 3.234 4.439 . 0 0 "[ . 1]" 1
978 1 109 MET H 1 109 MET ME 5.500 . 5.500 5.237 4.508 5.543 0.043 6 0 "[ . 1]" 1
979 1 109 MET HA 1 110 SER QB 4.840 . 4.840 4.364 4.107 4.707 . 0 0 "[ . 1]" 1
980 1 109 MET HA 1 110 SER HA 4.440 . 4.440 4.444 4.371 4.477 0.037 5 0 "[ . 1]" 1
981 1 109 MET HB3 1 110 SER HA 5.130 . 5.130 5.281 5.248 5.337 0.207 3 0 "[ . 1]" 1
982 1 109 MET HB2 1 110 SER H 5.330 . 5.330 3.524 3.301 3.994 . 0 0 "[ . 1]" 1
983 1 109 MET ME 1 110 SER H 5.500 . 5.500 3.839 3.361 5.153 . 0 0 "[ . 1]" 1
984 1 109 MET HG3 1 110 SER H 4.540 . 4.540 2.616 2.227 3.392 . 0 0 "[ . 1]" 1
985 1 109 MET HG2 1 110 SER H 4.630 . 4.630 3.781 3.550 4.127 . 0 0 "[ . 1]" 1
986 1 109 MET HG3 1 121 GLN H 5.210 . 5.210 3.847 3.381 4.225 . 0 0 "[ . 1]" 1
987 1 109 MET HA 1 122 CYS HA 4.140 . 4.140 4.184 4.158 4.223 0.083 7 0 "[ . 1]" 1
988 1 109 MET HG3 1 122 CYS HA 5.500 . 5.500 4.388 3.661 4.711 . 0 0 "[ . 1]" 1
989 1 109 MET ME 1 132 TYR QD 5.000 . 5.000 5.026 4.988 5.071 0.071 3 0 "[ . 1]" 1
990 1 110 SER HA 1 111 VAL MG1 3.970 . 3.970 3.099 2.909 3.282 . 0 0 "[ . 1]" 1
991 1 110 SER QB 1 111 VAL HB 5.390 . 5.390 5.481 5.440 5.503 0.113 9 0 "[ . 1]" 1
992 1 110 SER QB 1 111 VAL H 3.570 . 3.570 2.166 2.109 2.249 . 0 0 "[ . 1]" 1
993 1 110 SER QB 1 111 VAL MG2 5.500 . 5.500 3.995 3.752 4.281 . 0 0 "[ . 1]" 1
994 1 110 SER QB 1 111 VAL MG1 5.500 . 5.500 3.914 3.776 3.996 . 0 0 "[ . 1]" 1
995 1 110 SER H 1 111 VAL H 5.170 . 5.170 4.380 4.372 4.388 . 0 0 "[ . 1]" 1
996 1 110 SER QB 1 112 LYS H 5.490 . 5.490 5.245 5.145 5.346 . 0 0 "[ . 1]" 1
997 1 110 SER QB 1 112 LYS HA 5.360 . 5.360 5.110 5.006 5.205 . 0 0 "[ . 1]" 1
998 1 110 SER H 1 121 GLN H 3.500 . 3.500 3.222 2.900 3.555 0.055 2 0 "[ . 1]" 1
999 1 110 SER QB 1 121 GLN H 5.340 . 5.340 4.965 4.653 5.313 . 0 0 "[ . 1]" 1
1000 1 111 VAL H 1 111 VAL HB 3.840 . 3.840 3.806 3.740 3.867 0.027 9 0 "[ . 1]" 1
1001 1 111 VAL H 1 111 VAL MG2 4.560 . 4.560 2.527 2.426 2.709 . 0 0 "[ . 1]" 1
1002 1 111 VAL H 1 111 VAL MG1 3.940 . 3.940 2.343 2.071 2.457 . 0 0 "[ . 1]" 1
1003 1 111 VAL HA 1 112 LYS HB3 4.990 . 4.990 5.047 5.025 5.088 0.098 2 0 "[ . 1]" 1
1004 1 111 VAL HA 1 112 LYS HB2 5.190 . 5.190 4.073 3.994 4.101 . 0 0 "[ . 1]" 1
1005 1 111 VAL HA 1 112 LYS H 3.480 . 3.480 2.205 2.160 2.246 . 0 0 "[ . 1]" 1
1006 1 111 VAL HB 1 112 LYS H 4.380 . 4.380 2.938 2.807 3.102 . 0 0 "[ . 1]" 1
1007 1 111 VAL MG1 1 112 LYS H 4.600 . 4.600 4.111 4.041 4.186 . 0 0 "[ . 1]" 1
1008 1 111 VAL MG2 1 112 LYS H 3.880 . 3.880 3.415 3.115 3.581 . 0 0 "[ . 1]" 1
1009 1 111 VAL MG2 1 112 LYS HA 5.130 . 5.130 3.816 3.701 3.879 . 0 0 "[ . 1]" 1
1010 1 111 VAL H 1 112 LYS H 5.260 . 5.260 4.476 4.423 4.545 . 0 0 "[ . 1]" 1
1011 1 111 VAL MG2 1 113 GLU HG2 5.250 . 5.250 4.385 4.148 4.525 . 0 0 "[ . 1]" 1
1012 1 111 VAL MG2 1 113 GLU H 5.500 . 5.500 4.942 4.679 5.060 . 0 0 "[ . 1]" 1
1013 1 111 VAL MG2 1 113 GLU HG3 4.930 . 4.930 3.516 3.394 3.660 . 0 0 "[ . 1]" 1
1014 1 111 VAL HB 1 118 VAL MG1 5.500 . 5.500 4.984 4.701 5.509 0.009 2 0 "[ . 1]" 1
1015 1 111 VAL HA 1 120 LEU MD2 5.500 . 5.500 3.687 3.012 5.083 . 0 0 "[ . 1]" 1
1016 1 111 VAL HA 1 120 LEU MD1 4.650 . 4.650 3.558 2.886 4.416 . 0 0 "[ . 1]" 1
1017 1 111 VAL HA 1 120 LEU HA 4.450 . 4.450 1.896 1.836 1.953 . 0 0 "[ . 1]" 1
1018 1 111 VAL HB 1 120 LEU MD1 4.910 . 4.910 2.674 1.900 3.952 . 0 0 "[ . 1]" 1
1019 1 111 VAL HB 1 120 LEU HA 5.420 . 5.420 3.299 2.244 3.718 . 0 0 "[ . 1]" 1
1020 1 111 VAL MG1 1 120 LEU HA 5.110 . 5.110 3.422 2.534 3.738 . 0 0 "[ . 1]" 1
1021 1 111 VAL MG2 1 120 LEU HA 5.500 . 5.500 4.483 3.859 4.733 . 0 0 "[ . 1]" 1
1022 1 111 VAL MG2 1 120 LEU HG 5.170 . 5.170 4.083 3.683 5.248 0.078 9 0 "[ . 1]" 1
1023 1 111 VAL MG1 1 172 LEU MD2 5.500 . 5.500 3.961 3.657 4.199 . 0 0 "[ . 1]" 1
1024 1 111 VAL MG1 1 172 LEU HG 3.950 . 3.950 3.989 3.964 4.024 0.074 8 0 "[ . 1]" 1
1025 1 112 LYS H 1 112 LYS HB2 3.970 . 3.970 2.425 2.309 2.490 . 0 0 "[ . 1]" 1
1026 1 112 LYS H 1 112 LYS HB3 4.200 . 4.200 2.921 2.898 2.975 . 0 0 "[ . 1]" 1
1027 1 112 LYS HA 1 113 GLU HA 5.010 . 5.010 4.435 4.422 4.459 . 0 0 "[ . 1]" 1
1028 1 112 LYS HA 1 113 GLU HG2 5.500 . 5.500 5.534 5.510 5.544 0.044 9 0 "[ . 1]" 1
1029 1 112 LYS HA 1 113 GLU H 3.430 . 3.430 2.383 2.345 2.417 . 0 0 "[ . 1]" 1
1030 1 112 LYS HB3 1 113 GLU HA 5.490 . 5.490 4.252 4.164 4.298 . 0 0 "[ . 1]" 1
1031 1 112 LYS HB3 1 113 GLU H 4.470 . 4.470 3.175 3.024 3.280 . 0 0 "[ . 1]" 1
1032 1 112 LYS HB2 1 113 GLU H 4.430 . 4.430 4.040 4.004 4.087 . 0 0 "[ . 1]" 1
1033 1 112 LYS H 1 113 GLU H 5.150 . 5.150 4.545 4.530 4.554 . 0 0 "[ . 1]" 1
1034 1 112 LYS HA 1 114 VAL MG2 5.500 . 5.500 4.860 4.796 4.950 . 0 0 "[ . 1]" 1
1035 1 112 LYS HB3 1 114 VAL MG2 4.150 . 4.150 2.992 2.908 3.251 . 0 0 "[ . 1]" 1
1036 1 112 LYS HB2 1 114 VAL MG2 5.500 . 5.500 4.389 4.303 4.654 . 0 0 "[ . 1]" 1
1037 1 112 LYS H 1 114 VAL MG2 5.500 . 5.500 5.076 4.978 5.265 . 0 0 "[ . 1]" 1
1038 1 112 LYS HB3 1 119 PHE HB2 4.940 . 4.940 2.477 2.293 2.604 . 0 0 "[ . 1]" 1
1039 1 112 LYS HB3 1 119 PHE HB3 4.300 . 4.300 4.197 3.966 4.311 0.011 9 0 "[ . 1]" 1
1040 1 112 LYS HB3 1 119 PHE H 5.420 . 5.420 3.097 2.984 3.434 . 0 0 "[ . 1]" 1
1041 1 112 LYS HB2 1 119 PHE HB3 4.540 . 4.540 4.587 4.565 4.624 0.084 9 0 "[ . 1]" 1
1042 1 112 LYS HB2 1 119 PHE QD 5.500 . 5.500 4.724 4.618 4.948 . 0 0 "[ . 1]" 1
1043 1 112 LYS HB2 1 119 PHE HB2 4.620 . 4.620 3.218 3.158 3.313 . 0 0 "[ . 1]" 1
1044 1 112 LYS HB2 1 119 PHE H 5.450 . 5.450 4.237 4.082 4.557 . 0 0 "[ . 1]" 1
1045 1 112 LYS H 1 119 PHE H 5.390 . 5.390 3.252 3.049 3.568 . 0 0 "[ . 1]" 1
1046 1 112 LYS H 1 120 LEU HA 5.100 . 5.100 2.733 2.295 2.877 . 0 0 "[ . 1]" 1
1047 1 113 GLU HB3 1 113 GLU HG2 2.930 . 2.930 2.561 2.493 2.679 . 0 0 "[ . 1]" 1
1048 1 113 GLU H 1 113 GLU HG3 4.730 . 4.730 3.790 3.650 4.016 . 0 0 "[ . 1]" 1
1049 1 113 GLU H 1 113 GLU HG2 5.120 . 5.120 4.366 4.304 4.394 . 0 0 "[ . 1]" 1
1050 1 113 GLU HA 1 114 VAL H 3.480 . 3.480 2.116 2.096 2.196 . 0 0 "[ . 1]" 1
1051 1 113 GLU HA 1 114 VAL HB 4.930 . 4.930 4.994 4.943 5.012 0.082 4 0 "[ . 1]" 1
1052 1 113 GLU HA 1 114 VAL MG1 5.380 . 5.380 5.365 5.296 5.391 0.011 5 0 "[ . 1]" 1
1053 1 113 GLU HA 1 114 VAL MG2 4.720 . 4.720 3.274 3.058 3.336 . 0 0 "[ . 1]" 1
1054 1 113 GLU HB3 1 114 VAL H 5.470 . 5.470 3.656 3.132 3.846 . 0 0 "[ . 1]" 1
1055 1 113 GLU HB2 1 114 VAL H 5.460 . 5.460 4.497 4.271 4.573 . 0 0 "[ . 1]" 1
1056 1 113 GLU HG2 1 114 VAL MG2 5.410 . 5.410 5.201 4.951 5.350 . 0 0 "[ . 1]" 1
1057 1 113 GLU H 1 114 VAL MG1 5.500 . 5.500 5.514 5.505 5.524 0.024 5 0 "[ . 1]" 1
1058 1 113 GLU H 1 114 VAL MG2 5.020 . 5.020 3.649 3.582 3.702 . 0 0 "[ . 1]" 1
1059 1 113 GLU HA 1 118 VAL HA 4.130 . 4.130 2.421 2.290 2.500 . 0 0 "[ . 1]" 1
1060 1 113 GLU HA 1 118 VAL MG1 5.160 . 5.160 3.098 2.900 3.274 . 0 0 "[ . 1]" 1
1061 1 113 GLU HA 1 118 VAL MG2 5.160 . 5.160 5.046 4.987 5.071 . 0 0 "[ . 1]" 1
1062 1 113 GLU HB3 1 118 VAL MG1 5.370 . 5.370 4.243 4.178 4.298 . 0 0 "[ . 1]" 1
1063 1 113 GLU HB2 1 118 VAL MG1 5.500 . 5.500 4.636 4.540 4.689 . 0 0 "[ . 1]" 1
1064 1 113 GLU HG3 1 118 VAL HB 5.450 . 5.450 4.425 4.377 4.448 . 0 0 "[ . 1]" 1
1065 1 113 GLU HG3 1 118 VAL MG1 5.200 . 5.200 3.055 2.975 3.200 . 0 0 "[ . 1]" 1
1066 1 113 GLU HG3 1 118 VAL MG2 5.500 . 5.500 5.526 5.506 5.539 0.039 4 0 "[ . 1]" 1
1067 1 113 GLU HG2 1 118 VAL HB 5.200 . 5.200 4.001 3.779 4.186 . 0 0 "[ . 1]" 1
1068 1 113 GLU HG2 1 118 VAL MG1 4.770 . 4.770 2.038 1.957 2.145 . 0 0 "[ . 1]" 1
1069 1 113 GLU HG2 1 118 VAL MG2 5.500 . 5.500 4.806 4.630 4.932 . 0 0 "[ . 1]" 1
1070 1 113 GLU HA 1 119 PHE H 4.740 . 4.740 3.382 3.074 3.563 . 0 0 "[ . 1]" 1
1071 1 113 GLU HA 1 152 ILE MD 5.160 . 5.160 3.978 3.890 4.137 . 0 0 "[ . 1]" 1
1072 1 113 GLU HB3 1 152 ILE MD 4.570 . 4.570 3.505 3.424 3.700 . 0 0 "[ . 1]" 1
1073 1 113 GLU HB2 1 152 ILE MD 4.550 . 4.550 4.579 4.561 4.608 0.058 5 0 "[ . 1]" 1
1074 1 113 GLU HG3 1 152 ILE MD 5.500 . 5.500 3.860 3.609 3.951 . 0 0 "[ . 1]" 1
1075 1 113 GLU HG2 1 152 ILE HG13 5.500 . 5.500 4.016 3.859 4.230 . 0 0 "[ . 1]" 1
1076 1 113 GLU HG2 1 152 ILE MG 5.470 . 5.470 5.480 5.448 5.501 0.031 9 0 "[ . 1]" 1
1077 1 113 GLU HG2 1 152 ILE MD 4.680 . 4.680 2.620 2.504 2.743 . 0 0 "[ . 1]" 1
1078 1 114 VAL HA 1 114 VAL MG1 3.640 . 3.640 2.037 2.025 2.051 . 0 0 "[ . 1]" 1
1079 1 114 VAL HA 1 114 VAL MG2 3.740 . 3.740 2.700 2.688 2.710 . 0 0 "[ . 1]" 1
1080 1 114 VAL H 1 114 VAL HB 3.790 . 3.790 2.980 2.912 3.198 . 0 0 "[ . 1]" 1
1081 1 114 VAL H 1 114 VAL MG1 4.360 . 4.360 3.918 3.873 4.025 . 0 0 "[ . 1]" 1
1082 1 114 VAL H 1 114 VAL MG2 4.000 . 4.000 2.183 2.045 2.526 . 0 0 "[ . 1]" 1
1083 1 114 VAL HA 1 115 SER HB2 5.410 . 5.410 4.673 4.665 4.677 . 0 0 "[ . 1]" 1
1084 1 114 VAL HB 1 115 SER HB3 5.430 . 5.430 4.339 4.314 4.360 . 0 0 "[ . 1]" 1
1085 1 114 VAL HB 1 115 SER HB2 5.500 . 5.500 4.053 4.032 4.077 . 0 0 "[ . 1]" 1
1086 1 114 VAL MG1 1 115 SER HB3 3.730 . 3.730 3.732 3.695 3.751 0.021 8 0 "[ . 1]" 1
1087 1 114 VAL MG1 1 115 SER HA 5.500 . 5.500 3.982 3.946 4.002 . 0 0 "[ . 1]" 1
1088 1 114 VAL MG1 1 115 SER HB2 4.120 . 4.120 2.739 2.706 2.753 . 0 0 "[ . 1]" 1
1089 1 114 VAL MG2 1 115 SER HB2 5.500 . 5.500 5.160 5.146 5.170 . 0 0 "[ . 1]" 1
1090 1 114 VAL MG2 1 115 SER HB3 5.500 . 5.500 5.635 5.623 5.643 0.143 5 0 "[ . 1]" 1
1091 1 114 VAL MG2 1 117 LYS HB2 5.110 . 5.110 3.561 3.533 3.652 . 0 0 "[ . 1]" 1
1092 1 114 VAL MG2 1 117 LYS H 5.340 . 5.340 4.531 4.500 4.600 . 0 0 "[ . 1]" 1
1093 1 114 VAL H 1 117 LYS H 4.320 . 4.320 3.216 3.009 3.334 . 0 0 "[ . 1]" 1
1094 1 114 VAL H 1 118 VAL HA 3.870 . 3.870 3.146 3.128 3.242 . 0 0 "[ . 1]" 1
1095 1 114 VAL H 1 118 VAL HB 5.500 . 5.500 5.516 5.507 5.542 0.042 2 0 "[ . 1]" 1
1096 1 114 VAL H 1 118 VAL MG1 5.010 . 5.010 4.012 3.852 4.136 . 0 0 "[ . 1]" 1
1097 1 114 VAL HB 1 119 PHE HZ 5.220 . 5.220 3.451 3.412 3.484 . 0 0 "[ . 1]" 1
1098 1 114 VAL HB 1 119 PHE QE 3.420 . 3.420 1.848 1.814 1.868 . 0 0 "[ . 1]" 1
1099 1 114 VAL HB 1 119 PHE QD 3.590 . 3.590 3.597 3.525 3.626 0.036 2 0 "[ . 1]" 1
1100 1 114 VAL MG1 1 119 PHE QD 4.990 . 4.990 4.413 4.391 4.467 . 0 0 "[ . 1]" 1
1101 1 114 VAL MG1 1 119 PHE QE 4.580 . 4.580 3.449 3.434 3.470 . 0 0 "[ . 1]" 1
1102 1 114 VAL MG1 1 119 PHE HZ 4.140 . 4.140 4.156 4.143 4.176 0.036 9 0 "[ . 1]" 1
1103 1 114 VAL MG2 1 119 PHE HZ 5.500 . 5.500 3.570 3.513 3.592 . 0 0 "[ . 1]" 1
1104 1 114 VAL MG2 1 119 PHE H 5.500 . 5.500 3.248 3.181 3.344 . 0 0 "[ . 1]" 1
1105 1 114 VAL MG2 1 119 PHE HB2 5.500 . 5.500 3.348 3.254 3.405 . 0 0 "[ . 1]" 1
1106 1 114 VAL MG2 1 119 PHE QE 3.160 . 3.160 2.237 2.200 2.294 . 0 0 "[ . 1]" 1
1107 1 114 VAL MG2 1 119 PHE QD 3.380 . 3.380 1.874 1.857 1.897 . 0 0 "[ . 1]" 1
1108 1 114 VAL H 1 119 PHE QE 5.100 . 5.100 3.078 2.949 3.440 . 0 0 "[ . 1]" 1
1109 1 114 VAL H 1 119 PHE QD 4.930 . 4.930 3.049 2.834 3.508 . 0 0 "[ . 1]" 1
1110 1 114 VAL H 1 152 ILE MD 4.970 . 4.970 4.263 3.702 4.639 . 0 0 "[ . 1]" 1
1111 1 115 SER HB3 1 117 LYS HB2 5.310 . 5.310 4.432 4.406 4.463 . 0 0 "[ . 1]" 1
1112 1 115 SER HB2 1 117 LYS HE3 5.050 . 5.050 3.865 3.845 3.901 . 0 0 "[ . 1]" 1
1113 1 115 SER HB2 1 117 LYS HB2 4.980 . 4.980 5.114 5.111 5.119 0.139 3 0 "[ . 1]" 1
1114 1 116 GLY H 1 117 LYS H 4.050 . 4.050 2.734 2.716 2.743 . 0 0 "[ . 1]" 1
1115 1 116 GLY H 1 117 LYS HE3 5.180 . 5.180 5.272 5.265 5.281 0.101 9 0 "[ . 1]" 1
1116 1 116 GLY H 1 117 LYS HE2 5.170 . 5.170 5.232 5.226 5.242 0.072 2 0 "[ . 1]" 1
1117 1 116 GLY HA3 1 152 ILE HB 5.020 . 5.020 4.457 4.338 4.681 . 0 0 "[ . 1]" 1
1118 1 116 GLY HA3 1 152 ILE MG 4.240 . 4.240 2.951 2.849 3.091 . 0 0 "[ . 1]" 1
1119 1 116 GLY HA3 1 152 ILE MD 4.490 . 4.490 4.524 4.498 4.550 0.060 9 0 "[ . 1]" 1
1120 1 116 GLY HA2 1 152 ILE MG 5.500 . 5.500 1.974 1.907 2.227 . 0 0 "[ . 1]" 1
1121 1 116 GLY HA2 1 152 ILE MD 4.480 . 4.480 3.079 3.043 3.109 . 0 0 "[ . 1]" 1
1122 1 116 GLY H 1 152 ILE MD 5.500 . 5.500 3.947 3.797 4.168 . 0 0 "[ . 1]" 1
1123 1 117 LYS HA 1 117 LYS HG3 3.150 . 3.150 2.822 2.788 2.852 . 0 0 "[ . 1]" 1
1124 1 117 LYS HB3 1 117 LYS HE2 5.500 . 5.500 4.260 4.242 4.271 . 0 0 "[ . 1]" 1
1125 1 117 LYS HB3 1 117 LYS HE3 5.360 . 5.360 3.108 3.089 3.127 . 0 0 "[ . 1]" 1
1126 1 117 LYS HB2 1 117 LYS HE2 3.870 . 3.870 3.083 3.052 3.096 . 0 0 "[ . 1]" 1
1127 1 117 LYS HB2 1 117 LYS HE3 5.050 . 5.050 1.760 1.750 1.769 0.050 9 0 "[ . 1]" 1
1128 1 117 LYS H 1 117 LYS HB2 2.910 . 2.910 2.595 2.581 2.611 . 0 0 "[ . 1]" 1
1129 1 117 LYS H 1 117 LYS HG3 4.060 . 4.060 3.209 3.141 3.256 . 0 0 "[ . 1]" 1
1130 1 117 LYS H 1 117 LYS HE2 4.510 . 4.510 4.299 4.287 4.308 . 0 0 "[ . 1]" 1
1131 1 117 LYS HA 1 118 VAL MG1 4.130 . 4.130 3.375 3.324 3.477 . 0 0 "[ . 1]" 1
1132 1 117 LYS HA 1 118 VAL MG2 4.310 . 4.310 3.681 3.635 3.712 . 0 0 "[ . 1]" 1
1133 1 117 LYS HB3 1 118 VAL H 4.510 . 4.510 2.211 2.154 2.282 . 0 0 "[ . 1]" 1
1134 1 117 LYS HB2 1 118 VAL H 4.280 . 4.280 3.528 3.497 3.577 . 0 0 "[ . 1]" 1
1135 1 117 LYS HB2 1 118 VAL HA 5.500 . 5.500 4.650 4.621 4.700 . 0 0 "[ . 1]" 1
1136 1 117 LYS HB2 1 119 PHE QE 3.770 . 3.770 1.831 1.801 1.852 . 0 0 "[ . 1]" 1
1137 1 117 LYS HB2 1 119 PHE HZ 3.120 . 3.120 3.124 3.043 3.145 0.025 8 0 "[ . 1]" 1
1138 1 117 LYS HE3 1 119 PHE QE 5.110 . 5.110 2.319 2.282 2.340 . 0 0 "[ . 1]" 1
1139 1 117 LYS HE3 1 119 PHE HZ 3.990 . 3.990 2.510 2.459 2.545 . 0 0 "[ . 1]" 1
1140 1 117 LYS HE2 1 119 PHE QE 5.330 . 5.330 4.007 3.974 4.021 . 0 0 "[ . 1]" 1
1141 1 117 LYS HE2 1 119 PHE HZ 3.510 . 3.510 3.660 3.648 3.671 0.161 5 0 "[ . 1]" 1
1142 1 117 LYS H 1 119 PHE QE 4.570 . 4.570 3.945 3.865 3.986 . 0 0 "[ . 1]" 1
1143 1 117 LYS HA 1 151 ALA MB 4.510 . 4.510 3.281 3.228 3.369 . 0 0 "[ . 1]" 1
1144 1 117 LYS HB3 1 151 ALA HA 5.500 . 5.500 3.668 3.594 3.757 . 0 0 "[ . 1]" 1
1145 1 117 LYS HG3 1 151 ALA HA 5.160 . 5.160 4.470 4.226 4.610 . 0 0 "[ . 1]" 1
1146 1 117 LYS H 1 151 ALA MB 5.500 . 5.500 5.520 5.512 5.529 0.029 5 0 "[ . 1]" 1
1147 1 117 LYS HA 1 152 ILE HB 4.830 . 4.830 2.766 2.673 2.825 . 0 0 "[ . 1]" 1
1148 1 117 LYS HA 1 152 ILE HG13 5.090 . 5.090 5.127 5.105 5.147 0.057 3 0 "[ . 1]" 1
1149 1 117 LYS HA 1 152 ILE MG 4.110 . 4.110 3.408 3.221 3.560 . 0 0 "[ . 1]" 1
1150 1 117 LYS HA 1 152 ILE MD 4.200 . 4.200 4.236 4.223 4.252 0.052 5 0 "[ . 1]" 1
1151 1 117 LYS HB2 1 152 ILE MG 5.500 . 5.500 5.376 5.249 5.432 . 0 0 "[ . 1]" 1
1152 1 117 LYS H 1 152 ILE MD 5.110 . 5.110 3.403 3.246 3.680 . 0 0 "[ . 1]" 1
1153 1 118 VAL H 1 118 VAL HB 4.060 . 4.060 3.893 3.871 3.905 . 0 0 "[ . 1]" 1
1154 1 118 VAL H 1 118 VAL MG1 4.040 . 4.040 3.030 2.965 3.106 . 0 0 "[ . 1]" 1
1155 1 118 VAL H 1 118 VAL MG2 4.350 . 4.350 2.161 2.121 2.196 . 0 0 "[ . 1]" 1
1156 1 118 VAL HA 1 119 PHE H 3.610 . 3.610 2.135 2.125 2.141 . 0 0 "[ . 1]" 1
1157 1 118 VAL HB 1 119 PHE H 5.160 . 5.160 3.619 3.613 3.630 . 0 0 "[ . 1]" 1
1158 1 118 VAL MG1 1 119 PHE H 4.510 . 4.510 4.110 4.068 4.142 . 0 0 "[ . 1]" 1
1159 1 118 VAL MG1 1 119 PHE QE 5.360 . 5.360 5.314 5.296 5.331 . 0 0 "[ . 1]" 1
1160 1 118 VAL MG1 1 119 PHE QD 5.500 . 5.500 4.795 4.750 4.832 . 0 0 "[ . 1]" 1
1161 1 118 VAL MG2 1 119 PHE H 4.050 . 4.050 4.101 4.094 4.121 0.071 2 0 "[ . 1]" 1
1162 1 118 VAL MG2 1 119 PHE QE 5.500 . 5.500 5.380 5.361 5.411 . 0 0 "[ . 1]" 1
1163 1 118 VAL MG2 1 119 PHE QD 5.500 . 5.500 4.807 4.787 4.828 . 0 0 "[ . 1]" 1
1164 1 118 VAL MG2 1 119 PHE HA 4.910 . 4.910 4.092 4.051 4.149 . 0 0 "[ . 1]" 1
1165 1 118 VAL MG2 1 148 ASP HA 5.450 . 5.450 4.934 4.686 5.114 . 0 0 "[ . 1]" 1
1166 1 118 VAL MG2 1 149 LEU MD2 5.500 . 5.500 4.670 4.310 4.862 . 0 0 "[ . 1]" 1
1167 1 118 VAL MG1 1 151 ALA MB 5.500 . 5.500 4.722 4.563 4.848 . 0 0 "[ . 1]" 1
1168 1 118 VAL MG2 1 151 ALA MB 4.360 . 4.360 4.062 3.885 4.318 . 0 0 "[ . 1]" 1
1169 1 118 VAL H 1 151 ALA HA 4.440 . 4.440 2.884 2.726 3.066 . 0 0 "[ . 1]" 1
1170 1 118 VAL H 1 151 ALA MB 5.270 . 5.270 4.388 4.251 4.571 . 0 0 "[ . 1]" 1
1171 1 118 VAL MG1 1 152 ILE HB 5.500 . 5.500 2.390 2.134 2.565 . 0 0 "[ . 1]" 1
1172 1 118 VAL MG1 1 152 ILE HG12 5.480 . 5.480 3.656 3.352 3.794 . 0 0 "[ . 1]" 1
1173 1 118 VAL MG1 1 152 ILE HG13 4.020 . 4.020 2.306 1.995 2.445 . 0 0 "[ . 1]" 1
1174 1 118 VAL MG1 1 152 ILE HA 4.070 . 4.070 2.058 1.851 2.360 . 0 0 "[ . 1]" 1
1175 1 118 VAL MG1 1 152 ILE MG 4.140 . 4.140 3.720 3.523 3.840 . 0 0 "[ . 1]" 1
1176 1 118 VAL MG1 1 152 ILE H 4.850 . 4.850 3.347 3.205 3.435 . 0 0 "[ . 1]" 1
1177 1 118 VAL MG1 1 152 ILE MD 4.840 . 4.840 2.569 2.240 2.738 . 0 0 "[ . 1]" 1
1178 1 118 VAL MG2 1 152 ILE HA 5.410 . 5.410 2.790 2.019 3.240 . 0 0 "[ . 1]" 1
1179 1 118 VAL H 1 152 ILE MG 5.500 . 5.500 5.161 4.885 5.341 . 0 0 "[ . 1]" 1
1180 1 118 VAL H 1 152 ILE MD 5.500 . 5.500 5.087 4.965 5.149 . 0 0 "[ . 1]" 1
1181 1 119 PHE HA 1 119 PHE QD 4.140 . 4.140 3.206 3.191 3.220 . 0 0 "[ . 1]" 1
1182 1 119 PHE H 1 119 PHE QE 5.500 . 5.500 4.128 4.108 4.140 . 0 0 "[ . 1]" 1
1183 1 119 PHE H 1 119 PHE QD 3.540 . 3.540 1.917 1.885 1.952 . 0 0 "[ . 1]" 1
1184 1 119 PHE HA 1 120 LEU HB3 5.410 . 5.410 5.413 4.909 5.592 0.182 2 0 "[ . 1]" 1
1185 1 119 PHE HA 1 120 LEU MD1 5.500 . 5.500 3.679 2.494 4.694 . 0 0 "[ . 1]" 1
1186 1 119 PHE HB3 1 120 LEU H 5.070 . 5.070 2.282 2.209 2.607 . 0 0 "[ . 1]" 1
1187 1 119 PHE HB2 1 120 LEU H 4.870 . 4.870 3.308 3.218 3.624 . 0 0 "[ . 1]" 1
1188 1 119 PHE QD 1 120 LEU H 5.500 . 5.500 4.007 3.964 4.158 . 0 0 "[ . 1]" 1
1189 1 119 PHE QD 1 146 GLN HB2 5.260 . 5.260 4.135 3.682 4.610 . 0 0 "[ . 1]" 1
1190 1 119 PHE QD 1 146 GLN HB3 5.500 . 5.500 2.838 2.592 3.487 . 0 0 "[ . 1]" 1
1191 1 119 PHE QD 1 146 GLN HG2 5.500 . 5.500 3.636 2.006 4.874 . 0 0 "[ . 1]" 1
1192 1 119 PHE HA 1 148 ASP HA 4.350 . 4.350 2.775 2.669 2.969 . 0 0 "[ . 1]" 1
1193 1 119 PHE QD 1 148 ASP HB2 5.480 . 5.480 1.976 1.877 2.048 . 0 0 "[ . 1]" 1
1194 1 119 PHE QD 1 148 ASP H 4.200 . 4.200 4.207 4.187 4.264 0.064 9 0 "[ . 1]" 1
1195 1 119 PHE QE 1 148 ASP H 5.500 . 5.500 5.546 5.524 5.578 0.078 5 0 "[ . 1]" 1
1196 1 119 PHE QE 1 148 ASP HB3 5.470 . 5.470 3.683 3.539 3.736 . 0 0 "[ . 1]" 1
1197 1 119 PHE QE 1 148 ASP HB2 5.080 . 5.080 2.657 2.559 2.705 . 0 0 "[ . 1]" 1
1198 1 119 PHE QE 1 148 ASP HA 5.500 . 5.500 4.499 4.299 4.581 . 0 0 "[ . 1]" 1
1199 1 119 PHE HA 1 149 LEU H 4.480 . 4.480 4.072 3.925 4.305 . 0 0 "[ . 1]" 1
1200 1 119 PHE QD 1 149 LEU H 5.460 . 5.460 5.408 5.243 5.516 0.056 9 0 "[ . 1]" 1
1201 1 120 LEU HA 1 120 LEU MD1 4.190 . 4.190 3.220 2.548 4.094 . 0 0 "[ . 1]" 1
1202 1 120 LEU H 1 120 LEU HG 4.980 . 4.980 4.089 2.338 4.524 . 0 0 "[ . 1]" 1
1203 1 120 LEU H 1 120 LEU MD1 5.040 . 5.040 3.511 2.214 4.248 . 0 0 "[ . 1]" 1
1204 1 120 LEU H 1 120 LEU MD2 5.150 . 5.150 4.482 3.350 4.728 . 0 0 "[ . 1]" 1
1205 1 120 LEU HB2 1 121 GLN H 5.100 . 5.100 3.704 2.569 3.984 . 0 0 "[ . 1]" 1
1206 1 120 LEU MD1 1 121 GLN H 5.500 . 5.500 4.362 4.133 4.505 . 0 0 "[ . 1]" 1
1207 1 120 LEU H 1 146 GLN HA 5.150 . 5.150 4.938 4.627 5.185 0.035 2 0 "[ . 1]" 1
1208 1 120 LEU HB3 1 147 LEU HB3 5.080 . 5.080 3.017 2.217 4.769 . 0 0 "[ . 1]" 1
1209 1 120 LEU HB3 1 147 LEU HB2 5.440 . 5.440 3.129 2.366 4.864 . 0 0 "[ . 1]" 1
1210 1 120 LEU HB2 1 147 LEU HB3 4.940 . 4.940 2.081 1.756 3.912 0.044 2 0 "[ . 1]" 1
1211 1 120 LEU HB2 1 147 LEU MD1 5.230 . 5.230 2.512 1.924 3.225 . 0 0 "[ . 1]" 1
1212 1 120 LEU MD1 1 147 LEU HB2 5.270 . 5.270 4.331 3.015 4.751 . 0 0 "[ . 1]" 1
1213 1 120 LEU MD1 1 147 LEU MD1 4.040 . 4.040 3.131 1.747 3.773 0.053 9 0 "[ . 1]" 1
1214 1 120 LEU H 1 147 LEU HB3 4.750 . 4.750 2.541 2.262 3.178 . 0 0 "[ . 1]" 1
1215 1 120 LEU H 1 147 LEU MD1 5.500 . 5.500 4.090 3.862 4.489 . 0 0 "[ . 1]" 1
1216 1 120 LEU H 1 147 LEU MD2 5.500 . 5.500 4.453 4.236 4.992 . 0 0 "[ . 1]" 1
1217 1 120 LEU MD1 1 148 ASP HA 5.500 . 5.500 4.780 3.805 5.535 0.035 7 0 "[ . 1]" 1
1218 1 120 LEU H 1 148 ASP HA 5.150 . 5.150 4.024 3.832 4.409 . 0 0 "[ . 1]" 1
1219 1 120 LEU MD1 1 149 LEU MD2 4.070 . 4.070 2.793 2.397 3.094 . 0 0 "[ . 1]" 1
1220 1 120 LEU HG 1 149 LEU MD2 5.500 . 5.500 4.784 3.275 5.154 . 0 0 "[ . 1]" 1
1221 1 120 LEU H 1 149 LEU MD2 5.500 . 5.500 4.024 3.727 4.660 . 0 0 "[ . 1]" 1
1222 1 120 LEU MD1 1 160 TYR QE 5.500 . 5.500 2.924 1.808 5.430 . 0 0 "[ . 1]" 1
1223 1 120 LEU MD2 1 160 TYR QE 4.400 . 4.400 3.574 2.433 4.464 0.064 2 0 "[ . 1]" 1
1224 1 120 LEU MD2 1 160 TYR QD 4.670 . 4.670 3.594 2.919 4.492 . 0 0 "[ . 1]" 1
1225 1 122 CYS HB3 1 123 GLN H 4.940 . 4.940 2.695 2.099 2.938 . 0 0 "[ . 1]" 1
1226 1 122 CYS HB2 1 123 GLN H 4.720 . 4.720 3.708 3.570 3.784 . 0 0 "[ . 1]" 1
1227 1 122 CYS H 1 123 GLN H 5.500 . 5.500 4.385 4.360 4.436 . 0 0 "[ . 1]" 1
1228 1 122 CYS H 1 132 TYR QD 5.000 . 5.000 2.767 2.296 3.279 . 0 0 "[ . 1]" 1
1229 1 122 CYS H 1 132 TYR QE 4.000 . 4.000 3.079 2.499 3.783 . 0 0 "[ . 1]" 1
1230 1 122 CYS HB2 1 132 TYR HA 4.420 . 4.420 3.670 3.157 4.273 . 0 0 "[ . 1]" 1
1231 1 122 CYS HB3 1 133 LEU HA 5.450 . 5.450 5.034 4.494 5.271 . 0 0 "[ . 1]" 1
1232 1 122 CYS HB3 1 133 LEU QD 5.230 . 5.230 3.198 2.764 3.532 . 0 0 "[ . 1]" 1
1233 1 122 CYS HB2 1 133 LEU HA 5.500 . 5.500 5.393 4.964 5.561 0.061 9 0 "[ . 1]" 1
1234 1 122 CYS HB2 1 133 LEU QD 4.700 . 4.700 4.310 4.013 4.598 . 0 0 "[ . 1]" 1
1235 1 122 CYS HB2 1 133 LEU HB2 5.170 . 5.170 4.763 3.896 5.180 0.010 6 0 "[ . 1]" 1
1236 1 122 CYS HB2 1 162 CYS HB3 4.960 . 4.960 4.912 4.713 5.062 0.102 9 0 "[ . 1]" 1
1237 1 123 GLN H 1 123 GLN HB2 3.950 . 3.950 3.664 3.644 3.684 . 0 0 "[ . 1]" 1
1238 1 123 GLN HB3 1 124 GLU H 4.470 . 4.470 4.270 4.215 4.395 . 0 0 "[ . 1]" 1
1239 1 123 GLN HB2 1 124 GLU H 4.370 . 4.370 3.302 3.280 3.380 . 0 0 "[ . 1]" 1
1240 1 123 GLN HB2 1 133 LEU QD 5.030 . 5.030 5.043 5.034 5.062 0.032 2 0 "[ . 1]" 1
1241 1 123 GLN H 1 133 LEU QD 4.650 . 4.650 3.685 3.446 4.090 . 0 0 "[ . 1]" 1
1242 1 123 GLN HB3 1 163 GLN HA 4.320 . 4.320 4.410 4.378 4.492 0.172 9 0 "[ . 1]" 1
1243 1 123 GLN HG3 1 163 GLN H 5.150 . 5.150 5.083 4.917 5.172 0.022 9 0 "[ . 1]" 1
1244 1 123 GLN HG3 1 163 GLN HA 4.190 . 4.190 3.497 3.158 3.849 . 0 0 "[ . 1]" 1
1245 1 123 GLN HG3 1 164 ARG H 4.810 . 4.810 2.584 2.156 3.013 . 0 0 "[ . 1]" 1
1246 1 123 GLN HG3 1 164 ARG QB 5.010 . 5.010 2.098 1.833 2.954 . 0 0 "[ . 1]" 1
1247 1 123 GLN HG3 1 165 ASP H 4.990 . 4.990 4.781 4.545 5.001 0.011 6 0 "[ . 1]" 1
1248 1 124 GLU H 1 124 GLU HB3 3.810 . 3.810 3.277 2.831 3.741 . 0 0 "[ . 1]" 1
1249 1 124 GLU HA 1 133 LEU H 4.890 . 4.890 4.867 4.537 4.939 0.049 8 0 "[ . 1]" 1
1250 1 124 GLU HB3 1 133 LEU QD 4.840 . 4.840 4.162 3.575 4.781 . 0 0 "[ . 1]" 1
1251 1 132 TYR HA 1 133 LEU QD 4.050 . 4.050 2.681 2.352 2.925 . 0 0 "[ . 1]" 1
1252 1 132 TYR QD 1 146 GLN HA 3.670 . 3.670 3.293 1.977 3.687 0.017 2 0 "[ . 1]" 1
1253 1 132 TYR QE 1 146 GLN HA 4.410 . 4.410 3.609 2.150 4.327 . 0 0 "[ . 1]" 1
1254 1 133 LEU HA 1 133 LEU QD 3.580 . 3.580 2.055 1.973 2.143 . 0 0 "[ . 1]" 1
1255 1 133 LEU HA 1 133 LEU HG 3.690 . 3.690 3.728 3.671 3.764 0.074 3 0 "[ . 1]" 1
1256 1 133 LEU H 1 133 LEU QD 4.100 . 4.100 1.954 1.840 2.404 . 0 0 "[ . 1]" 1
1257 1 133 LEU HA 1 134 TRP HA 5.420 . 5.420 4.445 4.393 4.533 . 0 0 "[ . 1]" 1
1258 1 133 LEU HA 1 141 LEU MD1 3.610 . 3.610 3.164 2.540 3.497 . 0 0 "[ . 1]" 1
1259 1 133 LEU HB3 1 141 LEU MD1 3.940 . 3.940 2.630 2.031 3.241 . 0 0 "[ . 1]" 1
1260 1 133 LEU QD 1 141 LEU MD1 3.940 . 3.940 3.208 2.674 3.575 . 0 0 "[ . 1]" 1
1261 1 133 LEU HA 1 143 ASN HA 4.080 . 4.080 3.683 3.378 4.102 0.022 6 0 "[ . 1]" 1
1262 1 133 LEU HA 1 144 MET ME 4.240 . 4.240 3.116 2.800 3.377 . 0 0 "[ . 1]" 1
1263 1 133 LEU HB2 1 144 MET ME 5.400 . 5.400 5.224 4.903 5.427 0.027 10 0 "[ . 1]" 1
1264 1 133 LEU H 1 144 MET ME 5.480 . 5.480 4.367 4.196 4.551 . 0 0 "[ . 1]" 1
1265 1 133 LEU HA 1 147 LEU MD2 5.500 . 5.500 5.193 4.971 5.344 . 0 0 "[ . 1]" 1
1266 1 133 LEU QD 1 163 GLN HA 5.500 . 5.500 4.631 4.229 5.039 . 0 0 "[ . 1]" 1
1267 1 133 LEU QD 1 164 ARG H 5.290 . 5.290 4.399 3.914 4.862 . 0 0 "[ . 1]" 1
1268 1 133 LEU QD 1 164 ARG HA 4.720 . 4.720 2.438 1.882 2.942 . 0 0 "[ . 1]" 1
1269 1 133 LEU HG 1 164 ARG H 5.500 . 5.500 5.420 5.071 5.516 0.016 6 0 "[ . 1]" 1
1270 1 133 LEU QD 1 165 ASP H 5.500 . 5.500 4.075 3.539 4.507 . 0 0 "[ . 1]" 1
1271 1 133 LEU HG 1 165 ASP H 4.120 . 4.120 3.905 3.332 4.155 0.035 2 0 "[ . 1]" 1
1272 1 133 LEU HG 1 168 VAL MG1 3.780 . 3.780 3.613 3.184 3.803 0.023 8 0 "[ . 1]" 1
1273 1 134 TRP HA 1 134 TRP HE3 5.500 . 5.500 4.932 4.879 4.982 . 0 0 "[ . 1]" 1
1274 1 134 TRP H 1 134 TRP HE3 5.000 . 5.000 3.930 3.741 4.112 . 0 0 "[ . 1]" 1
1275 1 134 TRP HA 1 135 LYS HB2 5.500 . 5.500 4.391 4.310 4.456 . 0 0 "[ . 1]" 1
1276 1 134 TRP HA 1 135 LYS HB3 5.380 . 5.380 4.904 4.838 4.983 . 0 0 "[ . 1]" 1
1277 1 134 TRP HA 1 141 LEU MD1 5.500 . 5.500 3.505 3.130 3.623 . 0 0 "[ . 1]" 1
1278 1 134 TRP HB2 1 141 LEU MD1 5.500 . 5.500 4.683 4.398 4.813 . 0 0 "[ . 1]" 1
1279 1 134 TRP HE3 1 141 LEU MD1 3.980 . 3.980 4.042 4.021 4.062 0.082 2 0 "[ . 1]" 1
1280 1 134 TRP H 1 141 LEU MD2 4.690 . 4.690 4.604 4.390 4.706 0.016 1 0 "[ . 1]" 1
1281 1 134 TRP H 1 141 LEU MD1 3.580 . 3.580 2.069 1.935 2.133 . 0 0 "[ . 1]" 1
1282 1 134 TRP H 1 142 GLY H 4.910 . 4.910 3.647 3.208 3.906 . 0 0 "[ . 1]" 1
1283 1 134 TRP H 1 143 ASN HA 4.650 . 4.650 4.415 4.214 4.611 . 0 0 "[ . 1]" 1
1284 1 134 TRP HA 1 144 MET ME 5.420 . 5.420 4.029 3.958 4.110 . 0 0 "[ . 1]" 1
1285 1 134 TRP HB3 1 144 MET ME 4.080 . 4.080 1.855 1.822 1.982 . 0 0 "[ . 1]" 1
1286 1 134 TRP HB2 1 144 MET HG2 5.430 . 5.430 5.419 4.914 5.507 0.077 2 0 "[ . 1]" 1
1287 1 134 TRP HB2 1 144 MET ME 3.860 . 3.860 3.063 2.916 3.237 . 0 0 "[ . 1]" 1
1288 1 134 TRP HE3 1 144 MET HG2 4.850 . 4.850 4.884 4.860 4.913 0.063 5 0 "[ . 1]" 1
1289 1 134 TRP HE3 1 144 MET ME 4.310 . 4.310 1.961 1.887 2.225 . 0 0 "[ . 1]" 1
1290 1 134 TRP H 1 144 MET H 5.500 . 5.500 5.508 5.297 5.565 0.065 7 0 "[ . 1]" 1
1291 1 134 TRP H 1 144 MET ME 4.450 . 4.450 2.687 2.272 2.875 . 0 0 "[ . 1]" 1
1292 1 134 TRP HB3 1 147 LEU MD1 4.900 . 4.900 3.287 3.172 3.413 . 0 0 "[ . 1]" 1
1293 1 134 TRP HB3 1 147 LEU MD2 4.770 . 4.770 1.961 1.883 2.011 . 0 0 "[ . 1]" 1
1294 1 134 TRP HB2 1 147 LEU MD1 4.530 . 4.530 1.935 1.791 2.066 0.009 5 0 "[ . 1]" 1
1295 1 134 TRP HB2 1 147 LEU MD2 4.640 . 4.640 1.960 1.885 1.993 . 0 0 "[ . 1]" 1
1296 1 134 TRP HB3 1 149 LEU HG 4.570 . 4.570 4.630 4.595 4.691 0.121 2 0 "[ . 1]" 1
1297 1 134 TRP HB2 1 149 LEU HG 4.160 . 4.160 4.265 4.237 4.306 0.146 2 0 "[ . 1]" 1
1298 1 134 TRP HB2 1 149 LEU MD1 5.500 . 5.500 3.851 3.635 3.988 . 0 0 "[ . 1]" 1
1299 1 134 TRP HH2 1 149 LEU HG 4.860 . 4.860 4.889 4.871 4.899 0.039 9 0 "[ . 1]" 1
1300 1 134 TRP HA 1 161 THR H 5.110 . 5.110 4.334 4.106 4.712 . 0 0 "[ . 1]" 1
1301 1 134 TRP HA 1 162 CYS HB2 5.210 . 5.210 3.716 2.664 4.272 . 0 0 "[ . 1]" 1
1302 1 134 TRP HA 1 162 CYS HB3 5.090 . 5.090 5.073 4.350 5.186 0.096 2 0 "[ . 1]" 1
1303 1 134 TRP HA 1 162 CYS HA 3.990 . 3.990 3.082 2.773 3.318 . 0 0 "[ . 1]" 1
1304 1 134 TRP HA 1 163 GLN H 4.810 . 4.810 4.574 4.145 4.842 0.032 9 0 "[ . 1]" 1
1305 1 135 LYS HA 1 135 LYS HD3 4.820 . 4.820 4.387 4.359 4.431 . 0 0 "[ . 1]" 1
1306 1 135 LYS HB3 1 135 LYS HE3 4.990 . 4.990 3.460 3.325 4.218 . 0 0 "[ . 1]" 1
1307 1 135 LYS HB3 1 135 LYS HD3 2.660 . 2.660 2.469 2.363 2.600 . 0 0 "[ . 1]" 1
1308 1 135 LYS HB2 1 135 LYS HE3 5.500 . 5.500 4.256 4.174 4.650 . 0 0 "[ . 1]" 1
1309 1 135 LYS HB2 1 135 LYS HD3 3.770 . 3.770 2.382 2.331 2.474 . 0 0 "[ . 1]" 1
1310 1 135 LYS H 1 135 LYS HG3 5.130 . 5.130 4.644 4.541 4.702 . 0 0 "[ . 1]" 1
1311 1 135 LYS HA 1 136 LYS HB2 4.860 . 4.860 4.330 4.144 4.627 . 0 0 "[ . 1]" 1
1312 1 135 LYS HB3 1 136 LYS H 5.040 . 5.040 4.170 4.098 4.205 . 0 0 "[ . 1]" 1
1313 1 135 LYS HB2 1 136 LYS H 4.980 . 4.980 4.480 4.454 4.518 . 0 0 "[ . 1]" 1
1314 1 135 LYS HG2 1 139 GLU H 5.310 . 5.310 5.172 5.062 5.354 0.044 6 0 "[ . 1]" 1
1315 1 135 LYS HA 1 140 GLU HG2 5.350 . 5.350 5.393 5.362 5.481 0.131 6 0 "[ . 1]" 1
1316 1 135 LYS HA 1 140 GLU HA 4.440 . 4.440 3.946 3.604 4.121 . 0 0 "[ . 1]" 1
1317 1 135 LYS HB2 1 140 GLU HA 5.490 . 5.490 4.689 4.532 5.026 . 0 0 "[ . 1]" 1
1318 1 135 LYS HD3 1 140 GLU HG3 5.450 . 5.450 4.388 4.133 4.574 . 0 0 "[ . 1]" 1
1319 1 135 LYS HD3 1 140 GLU HG2 4.790 . 4.790 4.795 4.643 4.844 0.054 6 0 "[ . 1]" 1
1320 1 135 LYS HD3 1 140 GLU HA 5.500 . 5.500 4.468 4.315 4.688 . 0 0 "[ . 1]" 1
1321 1 135 LYS HE3 1 140 GLU HG3 5.230 . 5.230 4.643 3.653 5.079 . 0 0 "[ . 1]" 1
1322 1 135 LYS HE2 1 140 GLU HA 4.890 . 4.890 4.009 3.266 4.168 . 0 0 "[ . 1]" 1
1323 1 135 LYS HE2 1 140 GLU QB 5.120 . 5.120 5.075 4.129 5.200 0.080 3 0 "[ . 1]" 1
1324 1 135 LYS HG2 1 140 GLU H 5.070 . 5.070 5.123 5.083 5.151 0.081 8 0 "[ . 1]" 1
1325 1 135 LYS HG2 1 140 GLU HG2 4.820 . 4.820 4.717 4.488 4.843 0.023 1 0 "[ . 1]" 1
1326 1 135 LYS HG2 1 140 GLU HG3 5.500 . 5.500 4.021 3.282 4.244 . 0 0 "[ . 1]" 1
1327 1 135 LYS HA 1 141 LEU H 4.990 . 4.990 4.773 4.458 4.886 . 0 0 "[ . 1]" 1
1328 1 135 LYS HA 1 141 LEU MD1 5.500 . 5.500 2.543 2.432 2.768 . 0 0 "[ . 1]" 1
1329 1 135 LYS HB3 1 141 LEU HA 5.050 . 5.050 5.126 4.979 5.167 0.117 5 0 "[ . 1]" 1
1330 1 135 LYS HB3 1 141 LEU MD2 3.380 . 3.380 3.370 3.250 3.413 0.033 8 0 "[ . 1]" 1
1331 1 135 LYS HB3 1 141 LEU MD1 3.450 . 3.450 3.443 3.367 3.535 0.085 6 0 "[ . 1]" 1
1332 1 135 LYS HD3 1 141 LEU MD1 5.470 . 5.470 3.670 3.449 4.080 . 0 0 "[ . 1]" 1
1333 1 135 LYS HD3 1 141 LEU MD2 4.940 . 4.940 2.286 2.037 2.580 . 0 0 "[ . 1]" 1
1334 1 135 LYS HE3 1 141 LEU MD2 4.380 . 4.380 4.042 3.874 4.096 . 0 0 "[ . 1]" 1
1335 1 135 LYS HE2 1 141 LEU MD2 4.500 . 4.500 3.713 3.653 3.950 . 0 0 "[ . 1]" 1
1336 1 135 LYS HE2 1 141 LEU MD1 5.500 . 5.500 5.538 5.495 5.576 0.076 1 0 "[ . 1]" 1
1337 1 135 LYS HA 1 142 GLY H 5.400 . 5.400 5.080 4.472 5.334 . 0 0 "[ . 1]" 1
1338 1 135 LYS H 1 160 TYR QD 5.500 . 5.500 5.429 4.832 5.583 0.083 8 0 "[ . 1]" 1
1339 1 135 LYS HA 1 161 THR HB 5.090 . 5.090 4.894 4.715 5.092 0.002 9 0 "[ . 1]" 1
1340 1 135 LYS HB3 1 161 THR MG 4.850 . 4.850 3.675 3.429 3.837 . 0 0 "[ . 1]" 1
1341 1 135 LYS HB3 1 161 THR HB 4.280 . 4.280 2.408 2.255 2.588 . 0 0 "[ . 1]" 1
1342 1 135 LYS HB2 1 161 THR HB 4.460 . 4.460 3.845 3.622 4.152 . 0 0 "[ . 1]" 1
1343 1 135 LYS HD3 1 161 THR HB 4.730 . 4.730 4.302 3.883 4.453 . 0 0 "[ . 1]" 1
1344 1 135 LYS HE3 1 161 THR MG 5.500 . 5.500 4.567 4.141 5.126 . 0 0 "[ . 1]" 1
1345 1 135 LYS H 1 161 THR H 4.830 . 4.830 2.771 2.601 3.104 . 0 0 "[ . 1]" 1
1346 1 135 LYS H 1 161 THR HB 4.730 . 4.730 3.391 3.239 3.618 . 0 0 "[ . 1]" 1
1347 1 135 LYS H 1 161 THR MG 5.500 . 5.500 4.424 4.263 4.557 . 0 0 "[ . 1]" 1
1348 1 135 LYS H 1 162 CYS HA 5.500 . 5.500 3.669 3.443 3.900 . 0 0 "[ . 1]" 1
1349 1 135 LYS HB3 1 167 ASN HA 4.470 . 4.470 4.578 4.530 4.634 0.164 6 0 "[ . 1]" 1
1350 1 135 LYS HB2 1 167 ASN HA 5.120 . 5.120 4.207 4.145 4.269 . 0 0 "[ . 1]" 1
1351 1 135 LYS HD3 1 167 ASN HA 3.640 . 3.640 2.238 2.019 2.307 . 0 0 "[ . 1]" 1
1352 1 135 LYS HE3 1 167 ASN HA 3.450 . 3.450 3.258 2.435 3.470 0.020 9 0 "[ . 1]" 1
1353 1 135 LYS HE2 1 167 ASN HA 3.040 . 3.040 3.057 2.967 3.116 0.076 6 0 "[ . 1]" 1
1354 1 135 LYS HG3 1 167 ASN HA 5.260 . 5.260 4.632 4.251 4.838 . 0 0 "[ . 1]" 1
1355 1 135 LYS HG3 1 168 VAL MG1 5.500 . 5.500 5.444 5.167 5.542 0.042 1 0 "[ . 1]" 1
1356 1 136 LYS HB2 1 137 GLY H 5.430 . 5.430 4.146 3.970 4.268 . 0 0 "[ . 1]" 1
1357 1 136 LYS HB2 1 139 GLU HG2 5.500 . 5.500 3.196 2.585 3.968 . 0 0 "[ . 1]" 1
1358 1 136 LYS H 1 139 GLU H 4.400 . 4.400 3.570 3.423 3.637 . 0 0 "[ . 1]" 1
1359 1 136 LYS H 1 139 GLU HG3 5.400 . 5.400 3.811 3.664 4.018 . 0 0 "[ . 1]" 1
1360 1 136 LYS H 1 139 GLU HB3 5.250 . 5.250 3.384 3.249 3.551 . 0 0 "[ . 1]" 1
1361 1 136 LYS H 1 139 GLU HB2 5.210 . 5.210 4.869 4.775 5.028 . 0 0 "[ . 1]" 1
1362 1 136 LYS HA 1 160 TYR HA 3.860 . 3.860 1.973 1.933 2.033 . 0 0 "[ . 1]" 1
1363 1 136 LYS HA 1 160 TYR QD 3.790 . 3.790 3.399 2.329 3.868 0.078 10 0 "[ . 1]" 1
1364 1 136 LYS HA 1 160 TYR HB3 3.100 . 3.100 2.805 2.247 3.250 0.150 2 0 "[ . 1]" 1
1365 1 136 LYS HB2 1 160 TYR HA 5.030 . 5.030 4.229 3.690 4.733 . 0 0 "[ . 1]" 1
1366 1 136 LYS HA 1 161 THR H 4.880 . 4.880 3.107 2.674 3.376 . 0 0 "[ . 1]" 1
1367 1 137 GLY HA3 1 139 GLU H 5.300 . 5.300 4.702 4.582 4.790 . 0 0 "[ . 1]" 1
1368 1 137 GLY HA2 1 139 GLU H 4.620 . 4.620 4.561 4.471 4.632 0.012 8 0 "[ . 1]" 1
1369 1 137 GLY H 1 160 TYR HB3 5.500 . 5.500 4.642 4.000 5.036 . 0 0 "[ . 1]" 1
1370 1 137 GLY H 1 160 TYR HA 5.440 . 5.440 2.889 2.713 3.149 . 0 0 "[ . 1]" 1
1371 1 138 LYS H 1 139 GLU H 4.950 . 4.950 1.992 1.972 2.018 . 0 0 "[ . 1]" 1
1372 1 138 LYS H 1 139 GLU HA 4.730 . 4.730 4.743 4.726 4.767 0.037 5 0 "[ . 1]" 1
1373 1 139 GLU HA 1 139 GLU HG2 3.870 . 3.870 3.887 3.873 3.915 0.045 6 0 "[ . 1]" 1
1374 1 139 GLU HA 1 139 GLU HG3 3.970 . 3.970 2.874 2.854 2.907 . 0 0 "[ . 1]" 1
1375 1 139 GLU H 1 139 GLU HB2 3.260 . 3.260 3.320 3.301 3.339 0.079 6 0 "[ . 1]" 1
1376 1 139 GLU H 1 139 GLU HG2 4.120 . 4.120 4.158 4.137 4.206 0.086 6 0 "[ . 1]" 1
1377 1 139 GLU H 1 139 GLU HB3 3.840 . 3.840 2.377 2.363 2.400 . 0 0 "[ . 1]" 1
1378 1 139 GLU HA 1 140 GLU H 3.010 . 3.010 2.190 2.176 2.207 . 0 0 "[ . 1]" 1
1379 1 139 GLU HB3 1 140 GLU H 4.720 . 4.720 4.335 4.273 4.377 . 0 0 "[ . 1]" 1
1380 1 139 GLU HB2 1 140 GLU H 4.550 . 4.550 3.911 3.854 3.970 . 0 0 "[ . 1]" 1
1381 1 139 GLU HG3 1 140 GLU H 4.900 . 4.900 2.553 2.400 2.662 . 0 0 "[ . 1]" 1
1382 1 139 GLU HG2 1 140 GLU H 4.370 . 4.370 4.154 4.016 4.244 . 0 0 "[ . 1]" 1
1383 1 139 GLU H 1 140 GLU H 4.700 . 4.700 4.425 4.389 4.451 . 0 0 "[ . 1]" 1
1384 1 139 GLU HG3 1 141 LEU MD1 5.500 . 5.500 5.495 5.253 5.536 0.036 7 0 "[ . 1]" 1
1385 1 139 GLU HG3 1 141 LEU HA 4.420 . 4.420 4.494 4.466 4.537 0.117 6 0 "[ . 1]" 1
1386 1 140 GLU HA 1 140 GLU HG2 3.990 . 3.990 3.038 2.989 3.154 . 0 0 "[ . 1]" 1
1387 1 140 GLU HA 1 140 GLU HG3 4.160 . 4.160 2.350 2.112 2.442 . 0 0 "[ . 1]" 1
1388 1 140 GLU H 1 140 GLU QB 3.130 . 3.130 2.252 2.235 2.279 . 0 0 "[ . 1]" 1
1389 1 140 GLU HA 1 141 LEU MD2 5.500 . 5.500 3.380 3.175 4.495 . 0 0 "[ . 1]" 1
1390 1 140 GLU HA 1 141 LEU MD1 5.170 . 5.170 4.657 4.578 4.744 . 0 0 "[ . 1]" 1
1391 1 140 GLU QB 1 141 LEU MD1 5.070 . 5.070 5.047 5.016 5.087 0.017 5 0 "[ . 1]" 1
1392 1 140 GLU QB 1 141 LEU H 4.440 . 4.440 1.880 1.855 1.944 . 0 0 "[ . 1]" 1
1393 1 140 GLU QB 1 141 LEU MD2 4.950 . 4.950 3.712 3.519 4.767 . 0 0 "[ . 1]" 1
1394 1 140 GLU HG3 1 141 LEU H 4.850 . 4.850 3.230 2.893 3.316 . 0 0 "[ . 1]" 1
1395 1 140 GLU HG3 1 141 LEU MD2 4.840 . 4.840 3.005 2.837 4.019 . 0 0 "[ . 1]" 1
1396 1 140 GLU HG3 1 141 LEU MD1 5.070 . 5.070 5.150 5.134 5.226 0.156 6 0 "[ . 1]" 1
1397 1 140 GLU HG2 1 141 LEU H 4.830 . 4.830 1.829 1.782 1.871 0.018 6 0 "[ . 1]" 1
1398 1 140 GLU HG2 1 141 LEU MD1 4.950 . 4.950 4.405 4.282 4.900 . 0 0 "[ . 1]" 1
1399 1 140 GLU HG2 1 141 LEU MD2 4.010 . 4.010 2.212 1.926 3.641 . 0 0 "[ . 1]" 1
1400 1 141 LEU HA 1 141 LEU MD1 3.820 . 3.820 1.921 1.744 1.961 0.056 6 0 "[ . 1]" 1
1401 1 141 LEU H 1 141 LEU HG 5.500 . 5.500 4.473 4.379 4.732 . 0 0 "[ . 1]" 1
1402 1 141 LEU H 1 141 LEU MD2 5.260 . 5.260 2.640 2.427 3.443 . 0 0 "[ . 1]" 1
1403 1 141 LEU H 1 141 LEU MD1 4.150 . 4.150 3.918 3.835 3.998 . 0 0 "[ . 1]" 1
1404 1 141 LEU HA 1 142 GLY H 3.490 . 3.490 2.501 2.106 2.562 . 0 0 "[ . 1]" 1
1405 1 141 LEU HA 1 142 GLY HA2 4.740 . 4.740 4.653 4.373 4.694 . 0 0 "[ . 1]" 1
1406 1 141 LEU QB 1 142 GLY H 3.990 . 3.990 2.082 1.937 3.274 . 0 0 "[ . 1]" 1
1407 1 141 LEU MD1 1 142 GLY H 3.810 . 3.810 2.293 1.967 2.411 . 0 0 "[ . 1]" 1
1408 1 141 LEU MD1 1 142 GLY HA2 5.500 . 5.500 4.771 4.436 4.866 . 0 0 "[ . 1]" 1
1409 1 141 LEU MD2 1 142 GLY H 5.310 . 5.310 4.300 4.260 4.517 . 0 0 "[ . 1]" 1
1410 1 141 LEU H 1 142 GLY H 4.380 . 4.380 4.427 4.413 4.475 0.095 6 0 "[ . 1]" 1
1411 1 141 LEU MD1 1 143 ASN HA 4.530 . 4.530 4.601 4.543 4.753 0.223 6 0 "[ . 1]" 1
1412 1 141 LEU MD1 1 143 ASN H 5.140 . 5.140 4.559 4.381 5.153 0.013 6 0 "[ . 1]" 1
1413 1 141 LEU MD1 1 144 MET ME 4.620 . 4.620 3.456 3.073 3.568 . 0 0 "[ . 1]" 1
1414 1 141 LEU MD2 1 167 ASN HA 4.020 . 4.020 2.836 2.661 2.985 . 0 0 "[ . 1]" 1
1415 1 141 LEU HG 1 167 ASN H 5.370 . 5.370 5.393 5.373 5.420 0.050 5 0 "[ . 1]" 1
1416 1 142 GLY H 1 143 ASN H 4.350 . 4.350 2.966 2.805 3.934 . 0 0 "[ . 1]" 1
1417 1 142 GLY HA2 1 144 MET ME 4.900 . 4.900 4.474 4.127 4.540 . 0 0 "[ . 1]" 1
1418 1 143 ASN H 1 143 ASN HB3 3.830 . 3.830 3.425 2.629 3.837 0.007 6 0 "[ . 1]" 1
1419 1 143 ASN HA 1 144 MET H 3.500 . 3.500 2.158 2.130 2.199 . 0 0 "[ . 1]" 1
1420 1 143 ASN HA 1 144 MET ME 5.170 . 5.170 2.118 1.972 2.218 . 0 0 "[ . 1]" 1
1421 1 143 ASN HA 1 144 MET HG2 5.100 . 5.100 4.203 4.071 4.306 . 0 0 "[ . 1]" 1
1422 1 143 ASN HA 1 144 MET HA 4.970 . 4.970 4.428 4.404 4.458 . 0 0 "[ . 1]" 1
1423 1 143 ASN HB3 1 144 MET H 4.330 . 4.330 3.316 2.923 3.921 . 0 0 "[ . 1]" 1
1424 1 143 ASN HB3 1 144 MET ME 4.210 . 4.210 4.181 4.016 4.225 0.015 6 0 "[ . 1]" 1
1425 1 143 ASN HB2 1 144 MET H 4.440 . 4.440 3.967 3.008 4.397 . 0 0 "[ . 1]" 1
1426 1 143 ASN H 1 144 MET H 5.500 . 5.500 4.522 4.089 4.607 . 0 0 "[ . 1]" 1
1427 1 143 ASN H 1 144 MET ME 4.770 . 4.770 3.736 2.715 3.902 . 0 0 "[ . 1]" 1
1428 1 144 MET HA 1 144 MET ME 4.970 . 4.970 4.065 4.021 4.252 . 0 0 "[ . 1]" 1
1429 1 144 MET ME 1 144 MET HG3 3.730 . 3.730 3.220 3.060 3.250 . 0 0 "[ . 1]" 1
1430 1 144 MET ME 1 144 MET HG2 3.380 . 3.380 2.229 2.206 2.253 . 0 0 "[ . 1]" 1
1431 1 144 MET H 1 144 MET HB2 4.120 . 4.120 3.927 3.884 3.958 . 0 0 "[ . 1]" 1
1432 1 144 MET H 1 144 MET HG2 4.570 . 4.570 2.520 2.413 2.603 . 0 0 "[ . 1]" 1
1433 1 144 MET H 1 144 MET HG3 4.740 . 4.740 4.087 3.990 4.166 . 0 0 "[ . 1]" 1
1434 1 144 MET H 1 144 MET ME 4.040 . 4.040 1.993 1.911 2.306 . 0 0 "[ . 1]" 1
1435 1 144 MET HB3 1 145 ARG H 5.060 . 5.060 3.966 3.864 4.022 . 0 0 "[ . 1]" 1
1436 1 144 MET HB2 1 145 ARG H 4.020 . 4.020 2.840 2.575 3.011 . 0 0 "[ . 1]" 1
1437 1 144 MET HG3 1 145 ARG H 5.020 . 5.020 4.549 4.196 5.033 0.013 6 0 "[ . 1]" 1
1438 1 144 MET HG2 1 145 ARG H 5.040 . 5.040 4.271 4.030 4.553 . 0 0 "[ . 1]" 1
1439 1 144 MET H 1 145 ARG H 5.050 . 5.050 4.321 4.212 4.382 . 0 0 "[ . 1]" 1
1440 1 144 MET HB3 1 146 GLN H 4.640 . 4.640 4.660 4.650 4.671 0.031 5 0 "[ . 1]" 1
1441 1 144 MET HB2 1 146 GLN H 4.430 . 4.430 2.978 2.957 3.026 . 0 0 "[ . 1]" 1
1442 1 144 MET HG3 1 146 GLN H 5.500 . 5.500 3.588 3.332 4.684 . 0 0 "[ . 1]" 1
1443 1 144 MET HG3 1 146 GLN HA 5.500 . 5.500 4.545 4.311 5.480 . 0 0 "[ . 1]" 1
1444 1 144 MET HG2 1 146 GLN H 5.200 . 5.200 3.984 3.816 4.823 . 0 0 "[ . 1]" 1
1445 1 144 MET ME 1 147 LEU HA 4.280 . 4.280 3.713 3.546 4.296 0.016 6 0 "[ . 1]" 1
1446 1 144 MET ME 1 147 LEU MD2 3.400 . 3.400 2.179 1.908 2.518 . 0 0 "[ . 1]" 1
1447 1 144 MET ME 1 147 LEU MD1 4.330 . 4.330 3.694 3.477 4.056 . 0 0 "[ . 1]" 1
1448 1 144 MET HG3 1 147 LEU MD2 5.500 . 5.500 3.093 2.323 3.320 . 0 0 "[ . 1]" 1
1449 1 144 MET HG2 1 147 LEU MD1 5.500 . 5.500 5.115 4.696 5.398 . 0 0 "[ . 1]" 1
1450 1 144 MET HG2 1 147 LEU MD2 5.500 . 5.500 3.367 2.750 3.647 . 0 0 "[ . 1]" 1
1451 1 144 MET H 1 147 LEU MD2 5.180 . 5.180 4.974 4.548 5.193 0.013 2 0 "[ . 1]" 1
1452 1 145 ARG HA 1 146 GLN H 3.650 . 3.650 3.534 3.529 3.539 . 0 0 "[ . 1]" 1
1453 1 145 ARG HB3 1 146 GLN H 4.480 . 4.480 3.178 2.490 3.989 . 0 0 "[ . 1]" 1
1454 1 145 ARG HB2 1 146 GLN H 5.070 . 5.070 3.007 2.462 3.677 . 0 0 "[ . 1]" 1
1455 1 145 ARG H 1 146 GLN H 4.200 . 4.200 2.722 2.572 2.799 . 0 0 "[ . 1]" 1
1456 1 145 ARG H 1 146 GLN HA 5.300 . 5.300 5.267 5.158 5.311 0.011 10 0 "[ . 1]" 1
1457 1 146 GLN HA 1 146 GLN HG3 3.980 . 3.980 2.386 2.104 2.890 . 0 0 "[ . 1]" 1
1458 1 146 GLN H 1 146 GLN HB2 3.280 . 3.280 2.746 2.468 3.152 . 0 0 "[ . 1]" 1
1459 1 146 GLN HA 1 147 LEU HB2 5.270 . 5.270 4.227 4.213 4.249 . 0 0 "[ . 1]" 1
1460 1 146 GLN HB2 1 147 LEU H 4.680 . 4.680 4.365 4.200 4.470 . 0 0 "[ . 1]" 1
1461 1 146 GLN HG3 1 147 LEU H 4.880 . 4.880 3.573 2.483 4.853 . 0 0 "[ . 1]" 1
1462 1 147 LEU HA 1 147 LEU MD2 3.540 . 3.540 1.860 1.745 1.926 0.055 9 0 "[ . 1]" 1
1463 1 147 LEU HB3 1 147 LEU MD1 3.290 . 3.290 2.296 2.146 2.337 . 0 0 "[ . 1]" 1
1464 1 147 LEU H 1 147 LEU MD1 5.230 . 5.230 4.154 4.074 4.247 . 0 0 "[ . 1]" 1
1465 1 147 LEU H 1 147 LEU MD2 4.830 . 4.830 4.006 3.917 4.035 . 0 0 "[ . 1]" 1
1466 1 147 LEU HA 1 148 ASP HB2 4.710 . 4.710 4.495 4.461 4.556 . 0 0 "[ . 1]" 1
1467 1 147 LEU HA 1 148 ASP H 3.470 . 3.470 2.125 2.120 2.132 . 0 0 "[ . 1]" 1
1468 1 147 LEU HB3 1 148 ASP H 3.770 . 3.770 3.862 3.794 3.903 0.133 7 0 "[ . 1]" 1
1469 1 147 LEU HB2 1 148 ASP H 4.810 . 4.810 4.575 4.563 4.583 . 0 0 "[ . 1]" 1
1470 1 147 LEU MD1 1 148 ASP H 5.350 . 5.350 4.931 4.878 4.972 . 0 0 "[ . 1]" 1
1471 1 147 LEU MD2 1 148 ASP HB2 5.340 . 5.340 5.092 4.978 5.264 . 0 0 "[ . 1]" 1
1472 1 147 LEU MD2 1 148 ASP H 3.700 . 3.700 2.559 2.470 2.665 . 0 0 "[ . 1]" 1
1473 1 147 LEU MD2 1 148 ASP HB3 5.500 . 5.500 5.070 4.989 5.172 . 0 0 "[ . 1]" 1
1474 1 147 LEU HA 1 149 LEU MD1 5.480 . 5.480 2.855 2.697 2.922 . 0 0 "[ . 1]" 1
1475 1 147 LEU HA 1 149 LEU MD2 4.970 . 4.970 3.551 3.342 4.032 . 0 0 "[ . 1]" 1
1476 1 147 LEU HB3 1 149 LEU MD2 3.770 . 3.770 2.610 2.515 2.734 . 0 0 "[ . 1]" 1
1477 1 147 LEU HB2 1 149 LEU MD2 5.500 . 5.500 4.008 3.887 4.231 . 0 0 "[ . 1]" 1
1478 1 147 LEU MD1 1 149 LEU H 5.210 . 5.210 5.179 5.033 5.259 0.049 9 0 "[ . 1]" 1
1479 1 147 LEU MD1 1 149 LEU MD2 4.220 . 4.220 2.416 2.204 2.733 . 0 0 "[ . 1]" 1
1480 1 147 LEU MD1 1 149 LEU HG 3.830 . 3.830 3.858 3.771 3.889 0.059 5 0 "[ . 1]" 1
1481 1 147 LEU MD2 1 149 LEU HB3 5.500 . 5.500 4.293 4.229 4.396 . 0 0 "[ . 1]" 1
1482 1 147 LEU MD2 1 149 LEU H 5.500 . 5.500 3.925 3.754 4.186 . 0 0 "[ . 1]" 1
1483 1 147 LEU MD2 1 149 LEU HG 3.720 . 3.720 2.562 2.463 2.825 . 0 0 "[ . 1]" 1
1484 1 147 LEU MD2 1 149 LEU MD2 4.690 . 4.690 2.018 1.786 2.646 0.014 7 0 "[ . 1]" 1
1485 1 147 LEU H 1 149 LEU MD2 5.500 . 5.500 5.098 4.939 5.441 . 0 0 "[ . 1]" 1
1486 1 147 LEU MD1 1 160 TYR HB2 5.150 . 5.150 4.152 3.967 4.653 . 0 0 "[ . 1]" 1
1487 1 147 LEU MD1 1 160 TYR QE 4.900 . 4.900 4.433 3.942 4.948 0.048 5 0 "[ . 1]" 1
1488 1 147 LEU MD1 1 160 TYR QD 3.650 . 3.650 3.603 3.092 3.694 0.044 3 0 "[ . 1]" 1
1489 1 147 LEU MD2 1 160 TYR QE 5.500 . 5.500 4.819 4.286 5.152 . 0 0 "[ . 1]" 1
1490 1 147 LEU MD2 1 160 TYR QD 5.120 . 5.120 4.300 3.690 4.654 . 0 0 "[ . 1]" 1
1491 1 147 LEU MD1 1 161 THR H 5.500 . 5.500 5.477 5.278 5.572 0.072 9 0 "[ . 1]" 1
1492 1 148 ASP H 1 148 ASP HB3 3.810 . 3.810 2.897 2.840 2.938 . 0 0 "[ . 1]" 1
1493 1 148 ASP H 1 148 ASP HB2 3.890 . 3.890 2.964 2.938 3.033 . 0 0 "[ . 1]" 1
1494 1 148 ASP HA 1 149 LEU MD2 3.430 . 3.430 2.976 2.889 3.151 . 0 0 "[ . 1]" 1
1495 1 148 ASP HA 1 149 LEU H 3.540 . 3.540 2.234 2.223 2.245 . 0 0 "[ . 1]" 1
1496 1 148 ASP HB3 1 149 LEU H 5.090 . 5.090 4.359 4.340 4.391 . 0 0 "[ . 1]" 1
1497 1 148 ASP HB3 1 149 LEU MD2 5.500 . 5.500 4.842 4.671 5.149 . 0 0 "[ . 1]" 1
1498 1 148 ASP HB2 1 149 LEU H 4.910 . 4.910 4.616 4.596 4.629 . 0 0 "[ . 1]" 1
1499 1 148 ASP H 1 149 LEU H 5.130 . 5.130 3.763 3.746 3.775 . 0 0 "[ . 1]" 1
1500 1 149 LEU HA 1 149 LEU MD1 4.160 . 4.160 2.390 2.292 2.546 . 0 0 "[ . 1]" 1
1501 1 149 LEU HA 1 149 LEU MD2 3.930 . 3.930 3.536 3.501 3.590 . 0 0 "[ . 1]" 1
1502 1 149 LEU HB2 1 149 LEU MD1 3.620 . 3.620 3.184 3.181 3.185 . 0 0 "[ . 1]" 1
1503 1 149 LEU H 1 149 LEU HG 4.440 . 4.440 3.954 3.896 3.997 . 0 0 "[ . 1]" 1
1504 1 149 LEU H 1 149 LEU MD1 4.520 . 4.520 2.694 2.496 2.829 . 0 0 "[ . 1]" 1
1505 1 149 LEU H 1 149 LEU MD2 4.500 . 4.500 1.863 1.854 1.879 . 0 0 "[ . 1]" 1
1506 1 149 LEU HA 1 150 GLY HA2 5.500 . 5.500 4.379 4.349 4.398 . 0 0 "[ . 1]" 1
1507 1 149 LEU HB2 1 150 GLY H 4.530 . 4.530 4.093 3.956 4.209 . 0 0 "[ . 1]" 1
1508 1 149 LEU HB2 1 150 GLY HA2 5.100 . 5.100 4.962 4.789 5.109 0.009 5 0 "[ . 1]" 1
1509 1 149 LEU HB2 1 156 PRO HB3 4.100 . 4.100 3.158 2.792 3.602 . 0 0 "[ . 1]" 1
1510 1 149 LEU MD2 1 156 PRO HB2 4.690 . 4.690 4.768 4.731 4.816 0.126 2 0 "[ . 1]" 1
1511 1 149 LEU MD2 1 156 PRO HA 5.250 . 5.250 5.234 5.054 5.288 0.038 7 0 "[ . 1]" 1
1512 1 149 LEU MD2 1 156 PRO HB3 5.220 . 5.220 3.634 3.565 3.700 . 0 0 "[ . 1]" 1
1513 1 149 LEU MD2 1 160 TYR QD 5.000 . 5.000 3.176 2.785 3.642 . 0 0 "[ . 1]" 1
1514 1 149 LEU MD2 1 160 TYR QE 4.570 . 4.570 2.719 2.242 3.162 . 0 0 "[ . 1]" 1
1515 1 149 LEU HG 1 160 TYR HB3 5.050 . 5.050 4.329 3.960 5.093 0.043 2 0 "[ . 1]" 1
1516 1 149 LEU HG 1 160 TYR QD 4.230 . 4.230 3.684 2.903 4.006 . 0 0 "[ . 1]" 1
1517 1 149 LEU HG 1 160 TYR QE 4.250 . 4.250 3.875 2.373 4.294 0.044 7 0 "[ . 1]" 1
1518 1 150 GLY HA3 1 151 ALA H 3.280 . 3.280 2.658 2.531 2.691 . 0 0 "[ . 1]" 1
1519 1 150 GLY HA3 1 151 ALA MB 4.500 . 4.500 4.506 4.428 4.525 0.025 6 0 "[ . 1]" 1
1520 1 150 GLY HA2 1 151 ALA H 3.470 . 3.470 2.457 2.418 2.595 . 0 0 "[ . 1]" 1
1521 1 150 GLY HA2 1 151 ALA MB 4.790 . 4.790 3.899 3.882 3.935 . 0 0 "[ . 1]" 1
1522 1 150 GLY H 1 151 ALA H 4.570 . 4.570 4.365 4.353 4.384 . 0 0 "[ . 1]" 1
1523 1 150 GLY H 1 151 ALA MB 5.470 . 5.470 5.011 4.955 5.087 . 0 0 "[ . 1]" 1
1524 1 150 GLY HA3 1 156 PRO HB3 5.490 . 5.490 2.775 2.356 3.926 . 0 0 "[ . 1]" 1
1525 1 151 ALA H 1 151 ALA MB 3.270 . 3.270 2.439 2.425 2.448 . 0 0 "[ . 1]" 1
1526 1 151 ALA HA 1 152 ILE HB 4.490 . 4.490 4.497 4.444 4.547 0.057 2 0 "[ . 1]" 1
1527 1 151 ALA HA 1 152 ILE HA 4.400 . 4.400 4.303 4.287 4.312 . 0 0 "[ . 1]" 1
1528 1 151 ALA HA 1 152 ILE MG 4.510 . 4.510 4.488 4.339 4.531 0.021 9 0 "[ . 1]" 1
1529 1 151 ALA MB 1 152 ILE HB 5.230 . 5.230 4.404 4.384 4.468 . 0 0 "[ . 1]" 1
1530 1 151 ALA MB 1 152 ILE HA 5.390 . 5.390 4.290 4.268 4.334 . 0 0 "[ . 1]" 1
1531 1 151 ALA MB 1 152 ILE H 3.800 . 3.800 2.335 2.307 2.470 . 0 0 "[ . 1]" 1
1532 1 151 ALA MB 1 153 TYR HA 4.960 . 4.960 4.832 4.817 4.881 . 0 0 "[ . 1]" 1
1533 1 151 ALA MB 1 153 TYR QE 4.090 . 4.090 3.035 2.651 3.163 . 0 0 "[ . 1]" 1
1534 1 151 ALA MB 1 153 TYR HB3 5.270 . 5.270 4.768 4.583 4.834 . 0 0 "[ . 1]" 1
1535 1 151 ALA MB 1 153 TYR QD 3.390 . 3.390 3.256 2.966 3.369 . 0 0 "[ . 1]" 1
1536 1 151 ALA MB 1 154 ASP HB3 4.400 . 4.400 2.007 1.936 2.274 . 0 0 "[ . 1]" 1
1537 1 151 ALA MB 1 154 ASP H 3.900 . 3.900 1.934 1.928 1.945 . 0 0 "[ . 1]" 1
1538 1 151 ALA MB 1 154 ASP HB2 4.340 . 4.340 2.677 2.603 2.874 . 0 0 "[ . 1]" 1
1539 1 151 ALA H 1 154 ASP H 5.490 . 5.490 4.054 3.652 4.205 . 0 0 "[ . 1]" 1
1540 1 151 ALA MB 1 155 ASP HB3 5.500 . 5.500 5.589 5.577 5.600 0.100 5 0 "[ . 1]" 1
1541 1 151 ALA MB 1 155 ASP H 5.500 . 5.500 4.003 3.952 4.124 . 0 0 "[ . 1]" 1
1542 1 152 ILE HA 1 152 ILE HG12 4.100 . 4.100 3.174 3.110 3.239 . 0 0 "[ . 1]" 1
1543 1 152 ILE HA 1 152 ILE MD 4.480 . 4.480 3.512 3.471 3.554 . 0 0 "[ . 1]" 1
1544 1 152 ILE MD 1 152 ILE MG 2.870 . 2.870 2.402 2.319 2.443 . 0 0 "[ . 1]" 1
1545 1 152 ILE H 1 152 ILE HB 3.900 . 3.900 2.393 2.336 2.409 . 0 0 "[ . 1]" 1
1546 1 152 ILE H 1 152 ILE HG13 4.470 . 4.470 4.292 4.241 4.322 . 0 0 "[ . 1]" 1
1547 1 152 ILE H 1 152 ILE HG12 5.200 . 5.200 4.632 4.594 4.643 . 0 0 "[ . 1]" 1
1548 1 152 ILE H 1 152 ILE MG 4.010 . 4.010 2.369 2.255 2.483 . 0 0 "[ . 1]" 1
1549 1 152 ILE H 1 152 ILE MD 4.360 . 4.360 4.216 4.165 4.254 . 0 0 "[ . 1]" 1
1550 1 152 ILE HA 1 153 TYR HA 5.140 . 5.140 4.640 4.632 4.656 . 0 0 "[ . 1]" 1
1551 1 152 ILE HB 1 153 TYR QD 5.360 . 5.360 4.594 4.526 4.725 . 0 0 "[ . 1]" 1
1552 1 152 ILE MD 1 153 TYR QD 5.360 . 5.360 5.318 5.250 5.366 0.006 5 0 "[ . 1]" 1
1553 1 152 ILE MD 1 153 TYR H 5.360 . 5.360 4.807 4.777 4.824 . 0 0 "[ . 1]" 1
1554 1 152 ILE MD 1 153 TYR HB3 5.500 . 5.500 5.553 5.542 5.570 0.070 5 0 "[ . 1]" 1
1555 1 152 ILE HG12 1 153 TYR HA 4.970 . 4.970 4.379 4.189 4.476 . 0 0 "[ . 1]" 1
1556 1 152 ILE MG 1 153 TYR HA 4.990 . 4.990 3.205 3.137 3.315 . 0 0 "[ . 1]" 1
1557 1 152 ILE MG 1 153 TYR QE 4.320 . 4.320 3.804 3.734 3.935 . 0 0 "[ . 1]" 1
1558 1 152 ILE MG 1 153 TYR HB3 5.380 . 5.380 2.645 2.612 2.768 . 0 0 "[ . 1]" 1
1559 1 152 ILE MG 1 153 TYR QD 2.810 . 2.810 2.110 2.064 2.183 . 0 0 "[ . 1]" 1
1560 1 152 ILE H 1 153 TYR H 4.450 . 4.450 2.607 2.548 2.695 . 0 0 "[ . 1]" 1
1561 1 152 ILE H 1 153 TYR QD 3.900 . 3.900 3.699 3.634 3.789 . 0 0 "[ . 1]" 1
1562 1 152 ILE HA 1 155 ASP H 5.150 . 5.150 4.994 4.425 5.175 0.025 8 0 "[ . 1]" 1
1563 1 153 TYR HA 1 153 TYR QD 4.090 . 4.090 3.744 3.743 3.745 . 0 0 "[ . 1]" 1
1564 1 153 TYR H 1 153 TYR HB3 4.090 . 4.090 2.707 2.658 2.729 . 0 0 "[ . 1]" 1
1565 1 153 TYR H 1 153 TYR HB2 3.890 . 3.890 3.646 3.629 3.653 . 0 0 "[ . 1]" 1
1566 1 153 TYR H 1 153 TYR QD 2.400 . 2.400 2.148 2.053 2.195 . 0 0 "[ . 1]" 1
1567 1 153 TYR QD 1 154 ASP HA 3.960 . 3.960 3.681 3.605 3.788 . 0 0 "[ . 1]" 1
1568 1 153 TYR QE 1 154 ASP HB2 5.500 . 5.500 2.643 2.610 2.699 . 0 0 "[ . 1]" 1
1569 1 153 TYR HA 1 155 ASP H 4.710 . 4.710 4.061 3.772 4.176 . 0 0 "[ . 1]" 1
1570 1 153 TYR HB2 1 155 ASP H 5.500 . 5.500 5.443 5.244 5.511 0.011 8 0 "[ . 1]" 1
1571 1 154 ASP H 1 154 ASP HB3 3.690 . 3.690 2.892 2.690 2.943 . 0 0 "[ . 1]" 1
1572 1 154 ASP H 1 154 ASP HB2 3.780 . 3.780 2.539 2.500 2.713 . 0 0 "[ . 1]" 1
1573 1 154 ASP HA 1 155 ASP H 3.400 . 3.400 2.532 2.460 2.741 . 0 0 "[ . 1]" 1
1574 1 154 ASP HB3 1 155 ASP H 4.770 . 4.770 4.305 4.212 4.328 . 0 0 "[ . 1]" 1
1575 1 154 ASP HB2 1 155 ASP H 5.500 . 5.500 4.603 4.554 4.621 . 0 0 "[ . 1]" 1
1576 1 154 ASP H 1 155 ASP H 3.960 . 3.960 3.324 2.968 3.445 . 0 0 "[ . 1]" 1
1577 1 155 ASP HB2 1 156 PRO HG3 4.810 . 4.810 4.377 4.283 4.447 . 0 0 "[ . 1]" 1
1578 1 156 PRO HA 1 157 ARG H 3.410 . 3.410 2.733 2.326 3.489 0.079 5 0 "[ . 1]" 1
1579 1 156 PRO HA 1 157 ARG HG3 5.400 . 5.400 4.778 3.788 5.427 0.027 9 0 "[ . 1]" 1
1580 1 156 PRO HA 1 157 ARG HA 5.060 . 5.060 4.617 4.285 5.291 0.231 5 0 "[ . 1]" 1
1581 1 156 PRO HB3 1 157 ARG H 4.090 . 4.090 3.498 3.103 4.143 0.053 1 0 "[ . 1]" 1
1582 1 156 PRO HB2 1 157 ARG H 4.180 . 4.180 2.823 2.496 3.147 . 0 0 "[ . 1]" 1
1583 1 156 PRO HB2 1 157 ARG HA 4.940 . 4.940 4.556 4.346 4.763 . 0 0 "[ . 1]" 1
1584 1 156 PRO HG3 1 157 ARG H 5.190 . 5.190 4.815 4.062 5.202 0.012 10 0 "[ . 1]" 1
1585 1 156 PRO HA 1 158 GLY H 5.160 . 5.160 4.198 4.006 4.369 . 0 0 "[ . 1]" 1
1586 1 156 PRO HG3 1 158 GLY H 4.770 . 4.770 4.782 4.608 4.838 0.068 6 0 "[ . 1]" 1
1587 1 157 ARG HA 1 157 ARG HD3 5.480 . 5.480 4.175 3.042 4.778 . 0 0 "[ . 1]" 1
1588 1 157 ARG H 1 157 ARG HD3 5.300 . 5.300 4.675 2.759 5.183 . 0 0 "[ . 1]" 1
1589 1 157 ARG H 1 157 ARG HG3 4.610 . 4.610 3.269 2.682 4.248 . 0 0 "[ . 1]" 1
1590 1 157 ARG H 1 157 ARG HG2 4.760 . 4.760 3.332 1.995 4.521 . 0 0 "[ . 1]" 1
1591 1 157 ARG HB3 1 158 GLY H 5.290 . 5.290 4.175 3.379 4.681 . 0 0 "[ . 1]" 1
1592 1 157 ARG HB2 1 158 GLY H 4.890 . 4.890 3.809 2.949 4.491 . 0 0 "[ . 1]" 1
1593 1 157 ARG HG3 1 158 GLY H 5.480 . 5.480 5.015 4.043 5.482 0.002 9 0 "[ . 1]" 1
1594 1 157 ARG H 1 158 GLY HA2 5.280 . 5.280 5.226 5.043 5.428 0.148 2 0 "[ . 1]" 1
1595 1 157 ARG H 1 158 GLY H 5.400 . 5.400 2.738 2.501 2.884 . 0 0 "[ . 1]" 1
1596 1 160 TYR HA 1 160 TYR QD 3.980 . 3.980 3.007 2.183 3.604 . 0 0 "[ . 1]" 1
1597 1 160 TYR H 1 160 TYR QD 3.700 . 3.700 3.035 2.351 3.467 . 0 0 "[ . 1]" 1
1598 1 160 TYR HA 1 161 THR HB 5.120 . 5.120 4.683 4.558 4.821 . 0 0 "[ . 1]" 1
1599 1 160 TYR HB3 1 161 THR H 4.900 . 4.900 2.705 2.210 3.145 . 0 0 "[ . 1]" 1
1600 1 160 TYR HB2 1 161 THR H 5.460 . 5.460 2.816 2.425 3.481 . 0 0 "[ . 1]" 1
1601 1 160 TYR QD 1 161 THR H 4.750 . 4.750 4.203 3.937 4.401 . 0 0 "[ . 1]" 1
1602 1 160 TYR HA 1 171 THR MG 4.700 . 4.700 4.011 3.870 4.136 . 0 0 "[ . 1]" 1
1603 1 160 TYR H 1 172 LEU H 4.000 . 4.000 4.006 3.935 4.037 0.037 6 0 "[ . 1]" 1
1604 1 160 TYR HA 1 172 LEU MD1 5.310 . 5.310 5.415 5.357 5.451 0.141 6 0 "[ . 1]" 1
1605 1 160 TYR HB3 1 172 LEU MD1 5.210 . 5.210 5.058 4.365 5.293 0.083 3 0 "[ . 1]" 1
1606 1 160 TYR HB2 1 172 LEU MD1 5.500 . 5.500 3.855 2.982 4.473 . 0 0 "[ . 1]" 1
1607 1 160 TYR H 1 172 LEU MD1 5.500 . 5.500 3.375 3.137 3.643 . 0 0 "[ . 1]" 1
1608 1 161 THR H 1 161 THR HB 4.070 . 4.070 2.724 2.622 2.887 . 0 0 "[ . 1]" 1
1609 1 161 THR H 1 161 THR MG 4.790 . 4.790 3.898 3.857 3.956 . 0 0 "[ . 1]" 1
1610 1 161 THR HA 1 162 CYS HB3 4.750 . 4.750 4.431 4.173 4.961 0.211 8 0 "[ . 1]" 1
1611 1 161 THR HB 1 162 CYS H 5.500 . 5.500 4.012 3.929 4.188 . 0 0 "[ . 1]" 1
1612 1 161 THR MG 1 162 CYS HB2 5.500 . 5.500 4.971 4.605 5.126 . 0 0 "[ . 1]" 1
1613 1 161 THR MG 1 162 CYS H 3.690 . 3.690 2.424 2.229 2.692 . 0 0 "[ . 1]" 1
1614 1 161 THR MG 1 162 CYS HA 4.880 . 4.880 3.794 3.626 3.940 . 0 0 "[ . 1]" 1
1615 1 161 THR MG 1 163 GLN H 5.500 . 5.500 4.503 4.379 4.809 . 0 0 "[ . 1]" 1
1616 1 161 THR HA 1 168 VAL HB 5.060 . 5.060 4.511 4.394 4.675 . 0 0 "[ . 1]" 1
1617 1 161 THR HA 1 168 VAL MG2 5.500 . 5.500 3.667 3.585 3.776 . 0 0 "[ . 1]" 1
1618 1 161 THR HB 1 168 VAL MG2 5.500 . 5.500 1.802 1.767 1.864 0.033 1 0 "[ . 1]" 1
1619 1 161 THR MG 1 168 VAL HB 4.140 . 4.140 2.068 1.952 2.577 . 0 0 "[ . 1]" 1
1620 1 161 THR MG 1 169 ASN HA 5.500 . 5.500 2.876 2.619 3.025 . 0 0 "[ . 1]" 1
1621 1 161 THR HA 1 170 SER H 5.190 . 5.190 5.236 5.224 5.248 0.058 9 0 "[ . 1]" 1
1622 1 161 THR MG 1 170 SER HB3 5.500 . 5.500 3.967 3.516 4.567 . 0 0 "[ . 1]" 1
1623 1 161 THR MG 1 170 SER H 4.350 . 4.350 2.836 2.713 3.100 . 0 0 "[ . 1]" 1
1624 1 161 THR HA 1 171 THR MG 5.180 . 5.180 3.438 3.323 3.500 . 0 0 "[ . 1]" 1
1625 1 161 THR HB 1 171 THR MG 5.500 . 5.500 4.404 4.173 4.667 . 0 0 "[ . 1]" 1
1626 1 161 THR MG 1 171 THR HA 5.310 . 5.310 2.429 2.303 2.535 . 0 0 "[ . 1]" 1
1627 1 161 THR H 1 171 THR MG 5.500 . 5.500 4.348 4.230 4.445 . 0 0 "[ . 1]" 1
1628 1 161 THR HA 1 172 LEU H 4.880 . 4.880 2.240 2.105 2.422 . 0 0 "[ . 1]" 1
1629 1 162 CYS H 1 162 CYS HB3 3.840 . 3.840 2.707 2.521 3.066 . 0 0 "[ . 1]" 1
1630 1 162 CYS HB3 1 163 GLN H 5.050 . 5.050 4.170 3.827 4.372 . 0 0 "[ . 1]" 1
1631 1 162 CYS HB2 1 163 GLN H 4.530 . 4.530 4.079 3.801 4.456 . 0 0 "[ . 1]" 1
1632 1 162 CYS HB3 1 170 SER HB3 5.330 . 5.330 4.388 3.714 5.341 0.011 4 0 "[ . 1]" 1
1633 1 162 CYS HB3 1 170 SER HB2 5.210 . 5.210 4.654 3.759 5.215 0.005 9 0 "[ . 1]" 1
1634 1 162 CYS H 1 170 SER HB3 4.770 . 4.770 3.444 2.820 4.478 . 0 0 "[ . 1]" 1
1635 1 162 CYS H 1 170 SER H 4.850 . 4.850 4.167 4.016 4.616 . 0 0 "[ . 1]" 1
1636 1 162 CYS H 1 171 THR HA 4.650 . 4.650 3.544 3.460 3.613 . 0 0 "[ . 1]" 1
1637 1 162 CYS H 1 172 LEU H 4.000 . 4.000 3.428 3.157 3.750 . 0 0 "[ . 1]" 1
1638 1 163 GLN H 1 164 ARG H 5.460 . 5.460 4.342 4.330 4.350 . 0 0 "[ . 1]" 1
1639 1 163 GLN H 1 165 ASP H 4.840 . 4.840 4.180 3.942 4.323 . 0 0 "[ . 1]" 1
1640 1 164 ARG QB 1 165 ASP H 4.090 . 4.090 3.752 3.303 4.072 . 0 0 "[ . 1]" 1
1641 1 164 ARG H 1 165 ASP H 4.300 . 4.300 2.892 2.727 3.258 . 0 0 "[ . 1]" 1
1642 1 165 ASP HB2 1 166 GLU H 4.470 . 4.470 2.941 2.381 3.503 . 0 0 "[ . 1]" 1
1643 1 165 ASP HB2 1 166 GLU HA 4.920 . 4.920 4.888 4.800 4.952 0.032 8 0 "[ . 1]" 1
1644 1 165 ASP HB2 1 168 VAL H 5.290 . 5.290 3.989 2.927 4.725 . 0 0 "[ . 1]" 1
1645 1 165 ASP H 1 168 VAL H 5.000 . 5.000 4.471 3.933 4.738 . 0 0 "[ . 1]" 1
1646 1 165 ASP H 1 168 VAL MG2 5.500 . 5.500 5.212 4.741 5.504 0.004 9 0 "[ . 1]" 1
1647 1 165 ASP H 1 168 VAL HB 4.910 . 4.910 4.900 4.626 4.980 0.070 10 0 "[ . 1]" 1
1648 1 165 ASP H 1 168 VAL HA 3.410 . 3.410 3.472 3.414 3.513 0.103 6 0 "[ . 1]" 1
1649 1 166 GLU HB3 1 167 ASN H 4.510 . 4.510 2.873 2.034 3.813 . 0 0 "[ . 1]" 1
1650 1 166 GLU HB2 1 167 ASN H 4.110 . 4.110 3.236 2.148 3.964 . 0 0 "[ . 1]" 1
1651 1 166 GLU HB2 1 167 ASN QB 5.500 . 5.500 5.163 4.302 5.502 0.002 1 0 "[ . 1]" 1
1652 1 166 GLU HA 1 168 VAL H 4.890 . 4.890 3.830 3.671 4.125 . 0 0 "[ . 1]" 1
1653 1 166 GLU HB3 1 168 VAL H 5.420 . 5.420 4.985 4.571 5.453 0.033 9 0 "[ . 1]" 1
1654 1 167 ASN H 1 167 ASN QB 3.630 . 3.630 2.642 2.268 3.219 . 0 0 "[ . 1]" 1
1655 1 167 ASN QB 1 168 VAL H 3.800 . 3.800 3.865 3.842 3.954 0.154 6 0 "[ . 1]" 1
1656 1 167 ASN QB 1 168 VAL MG2 4.370 . 4.370 4.468 4.451 4.486 0.116 2 0 "[ . 1]" 1
1657 1 167 ASN H 1 168 VAL H 3.760 . 3.760 3.040 2.513 3.282 . 0 0 "[ . 1]" 1
1658 1 167 ASN H 1 168 VAL MG2 5.020 . 5.020 4.810 4.405 5.023 0.003 9 0 "[ . 1]" 1
1659 1 168 VAL HA 1 168 VAL MG2 3.610 . 3.610 3.177 3.173 3.182 . 0 0 "[ . 1]" 1
1660 1 168 VAL H 1 168 VAL MG2 3.900 . 3.900 2.306 2.216 2.457 . 0 0 "[ . 1]" 1
1661 1 168 VAL H 1 168 VAL HB 4.180 . 4.180 3.645 3.627 3.653 . 0 0 "[ . 1]" 1
1662 1 168 VAL HA 1 169 ASN H 3.340 . 3.340 2.213 2.181 2.254 . 0 0 "[ . 1]" 1
1663 1 168 VAL HA 1 169 ASN HB3 4.730 . 4.730 4.814 4.800 4.835 0.105 7 0 "[ . 1]" 1
1664 1 168 VAL HB 1 169 ASN H 4.040 . 4.040 2.828 2.728 2.914 . 0 0 "[ . 1]" 1
1665 1 168 VAL HB 1 169 ASN HA 4.940 . 4.940 4.538 4.483 4.605 . 0 0 "[ . 1]" 1
1666 1 168 VAL MG1 1 169 ASN H 5.270 . 5.270 3.613 3.541 3.716 . 0 0 "[ . 1]" 1
1667 1 168 VAL MG1 1 169 ASN HB2 5.500 . 5.500 5.621 5.600 5.659 0.159 9 0 "[ . 1]" 1
1668 1 168 VAL MG2 1 169 ASN H 4.080 . 4.080 3.865 3.814 3.903 . 0 0 "[ . 1]" 1
1669 1 168 VAL MG2 1 169 ASN HB2 5.500 . 5.500 5.468 5.412 5.502 0.002 3 0 "[ . 1]" 1
1670 1 168 VAL H 1 169 ASN H 5.370 . 5.370 4.567 4.544 4.591 . 0 0 "[ . 1]" 1
1671 1 168 VAL HB 1 170 SER H 4.730 . 4.730 3.286 3.121 3.484 . 0 0 "[ . 1]" 1
1672 1 168 VAL MG1 1 170 SER H 4.670 . 4.670 4.428 4.289 4.605 . 0 0 "[ . 1]" 1
1673 1 169 ASN H 1 169 ASN HB2 4.070 . 4.070 2.623 2.574 2.682 . 0 0 "[ . 1]" 1
1674 1 169 ASN HA 1 170 SER HA 4.880 . 4.880 4.753 4.723 4.794 . 0 0 "[ . 1]" 1
1675 1 169 ASN HB3 1 170 SER H 4.300 . 4.300 2.814 2.703 2.914 . 0 0 "[ . 1]" 1
1676 1 169 ASN HB2 1 170 SER H 4.400 . 4.400 3.793 3.724 3.858 . 0 0 "[ . 1]" 1
1677 1 170 SER H 1 170 SER HB3 4.140 . 4.140 3.311 3.026 3.606 . 0 0 "[ . 1]" 1
1678 1 170 SER HA 1 171 THR HB 5.120 . 5.120 4.852 4.761 4.989 . 0 0 "[ . 1]" 1
1679 1 170 SER HB3 1 171 THR H 4.850 . 4.850 3.965 3.764 4.126 . 0 0 "[ . 1]" 1
1680 1 170 SER HB2 1 171 THR H 4.710 . 4.710 4.491 4.105 4.636 . 0 0 "[ . 1]" 1
1681 1 171 THR H 1 171 THR HB 4.020 . 4.020 2.691 2.602 2.829 . 0 0 "[ . 1]" 1
1682 1 171 THR HB 1 172 LEU H 5.120 . 5.120 4.269 4.198 4.348 . 0 0 "[ . 1]" 1
1683 1 171 THR MG 1 172 LEU H 4.390 . 4.390 3.126 2.874 3.274 . 0 0 "[ . 1]" 1
1684 1 171 THR H 1 172 LEU H 5.500 . 5.500 4.304 4.258 4.373 . 0 0 "[ . 1]" 1
1685 1 172 LEU HA 1 172 LEU MD1 4.770 . 4.770 3.393 3.345 3.447 . 0 0 "[ . 1]" 1
1686 1 172 LEU HA 1 172 LEU MD2 3.620 . 3.620 2.083 2.032 2.161 . 0 0 "[ . 1]" 1
1687 1 172 LEU H 1 172 LEU MD1 5.500 . 5.500 3.799 3.747 3.874 . 0 0 "[ . 1]" 1
1688 1 172 LEU H 1 172 LEU MD2 5.220 . 5.220 4.186 4.176 4.204 . 0 0 "[ . 1]" 1
1689 1 172 LEU HA 1 173 HIS HB3 5.050 . 5.050 4.803 4.596 5.269 0.219 3 0 "[ . 1]" 1
1690 1 172 LEU MD1 1 173 HIS HB3 4.640 . 4.640 4.596 4.452 4.689 0.049 3 0 "[ . 1]" 1
1691 1 176 TYR H 1 176 TYR QD 5.240 . 5.240 2.222 1.819 3.765 . 0 0 "[ . 1]" 1
1692 1 176 TYR HA 1 177 ARG HA 5.270 . 5.270 4.469 4.372 4.590 . 0 0 "[ . 1]" 1
1693 1 176 TYR HA 1 177 ARG QB 4.340 . 4.340 3.949 3.819 4.194 . 0 0 "[ . 1]" 1
1694 1 176 TYR HB3 1 177 ARG H 5.300 . 5.300 3.697 2.953 4.065 . 0 0 "[ . 1]" 1
1695 1 176 TYR HB3 1 177 ARG HA 5.340 . 5.340 5.348 3.754 5.576 0.236 7 0 "[ . 1]" 1
1696 1 176 TYR HB2 1 177 ARG HA 4.750 . 4.750 4.216 3.948 4.931 0.181 5 0 "[ . 1]" 1
1697 1 176 TYR QD 1 177 ARG H 5.240 . 5.240 3.906 2.896 4.377 . 0 0 "[ . 1]" 1
1698 1 176 TYR QD 1 177 ARG HA 4.640 . 4.640 4.155 3.735 4.875 0.235 5 0 "[ . 1]" 1
1699 1 176 TYR H 1 177 ARG HA 5.430 . 5.430 5.146 4.899 5.626 0.196 5 0 "[ . 1]" 1
1700 1 176 TYR QD 1 178 MET H 5.320 . 5.320 4.084 3.302 4.863 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 76
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 54.180
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0352
_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 12 GLU 0.002 0.002 10 0 "[ . 1]"
1 14 SER 0.023 0.013 3 0 "[ . 1]"
1 17 THR 0.023 0.013 3 0 "[ . 1]"
1 18 VAL 0.130 0.042 2 0 "[ . 1]"
1 19 THR 0.002 0.002 10 0 "[ . 1]"
1 20 ILE 0.037 0.015 4 0 "[ . 1]"
1 22 CYS 0.318 0.057 9 0 "[ . 1]"
1 30 LYS 0.048 0.033 3 0 "[ . 1]"
1 39 ASP 0.317 0.070 2 0 "[ . 1]"
1 41 ASN 0.318 0.057 9 0 "[ . 1]"
1 42 LYS 0.317 0.070 2 0 "[ . 1]"
1 43 TYR 0.037 0.015 4 0 "[ . 1]"
1 45 ILE 0.130 0.042 2 0 "[ . 1]"
1 51 SER 1.728 0.142 10 0 "[ . 1]"
1 53 LEU 0.009 0.009 4 0 "[ . 1]"
1 55 VAL 0.025 0.017 2 0 "[ . 1]"
1 57 CYS 0.096 0.033 2 0 "[ . 1]"
1 58 THR 0.048 0.033 3 0 "[ . 1]"
1 59 ALA 0.182 0.023 4 0 "[ . 1]"
1 62 GLN 0.182 0.023 4 0 "[ . 1]"
1 63 GLU 0.001 0.001 5 0 "[ . 1]"
1 64 HIS 0.096 0.033 2 0 "[ . 1]"
1 65 THR 0.009 0.005 3 0 "[ . 1]"
1 66 MET 0.025 0.017 2 0 "[ . 1]"
1 67 TYR 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 0.009 0.009 4 0 "[ . 1]"
1 70 ALA 1.728 0.142 10 0 "[ . 1]"
1 110 SER 0.221 0.046 3 0 "[ . 1]"
1 112 LYS 0.000 0.000 . 0 "[ . 1]"
1 114 VAL 0.065 0.016 2 0 "[ . 1]"
1 117 LYS 0.065 0.016 2 0 "[ . 1]"
1 119 PHE 0.000 0.000 . 0 "[ . 1]"
1 120 LEU 0.727 0.096 5 0 "[ . 1]"
1 121 GLN 0.221 0.046 3 0 "[ . 1]"
1 135 LYS 0.000 0.000 . 0 "[ . 1]"
1 136 LYS 0.552 0.076 4 0 "[ . 1]"
1 137 GLY 0.835 0.080 6 0 "[ . 1]"
1 139 GLU 0.552 0.076 4 0 "[ . 1]"
1 147 LEU 0.727 0.096 5 0 "[ . 1]"
1 159 THR 0.835 0.080 6 0 "[ . 1]"
1 160 TYR 0.092 0.033 9 0 "[ . 1]"
1 161 THR 0.000 0.000 . 0 "[ . 1]"
1 162 CYS 0.000 0.000 . 0 "[ . 1]"
1 170 SER 0.000 0.000 . 0 "[ . 1]"
1 171 THR 0.001 0.001 5 0 "[ . 1]"
1 172 LEU 0.092 0.033 9 0 "[ . 1]"
1 173 HIS 0.009 0.005 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 GLU H 1 19 THR O 1.600 . 2.200 1.851 1.678 1.989 . 0 0 "[ . 1]" 2
2 1 12 GLU N 1 19 THR O 2.500 2.300 3.200 2.794 2.609 2.925 . 0 0 "[ . 1]" 2
3 1 14 SER H 1 17 THR O 1.600 . 2.200 1.860 1.673 2.179 . 0 0 "[ . 1]" 2
4 1 14 SER N 1 17 THR O 2.500 2.300 3.200 2.589 2.540 2.713 . 0 0 "[ . 1]" 2
5 1 14 SER O 1 17 THR H 1.600 . 2.200 2.056 1.804 2.213 0.013 3 0 "[ . 1]" 2
6 1 14 SER O 1 17 THR N 2.500 2.300 3.200 2.931 2.733 3.128 . 0 0 "[ . 1]" 2
7 1 18 VAL H 1 45 ILE O 1.600 . 2.200 2.185 1.961 2.242 0.042 2 0 "[ . 1]" 2
8 1 18 VAL N 1 45 ILE O 2.500 2.300 3.200 3.022 2.868 3.130 . 0 0 "[ . 1]" 2
9 1 12 GLU O 1 19 THR H 1.600 . 2.200 1.845 1.688 2.202 0.002 10 0 "[ . 1]" 2
10 1 12 GLU O 1 19 THR N 2.500 2.300 3.200 2.761 2.583 3.028 . 0 0 "[ . 1]" 2
11 1 20 ILE H 1 43 TYR O 1.600 . 2.200 2.122 1.960 2.215 0.015 4 0 "[ . 1]" 2
12 1 20 ILE N 1 43 TYR O 2.500 2.300 3.200 2.842 2.677 2.959 . 0 0 "[ . 1]" 2
13 1 22 CYS H 1 41 ASN O 1.600 . 2.200 2.223 2.112 2.257 0.057 9 0 "[ . 1]" 2
14 1 22 CYS N 1 41 ASN O 2.500 2.300 3.200 3.160 3.057 3.202 0.002 1 0 "[ . 1]" 2
15 1 30 LYS H 1 58 THR O 1.600 . 2.200 2.140 1.964 2.233 0.033 3 0 "[ . 1]" 2
16 1 30 LYS N 1 58 THR O 2.500 2.300 3.200 2.953 2.837 3.084 . 0 0 "[ . 1]" 2
17 1 39 ASP H 1 42 LYS O 1.600 . 2.200 1.950 1.816 2.048 . 0 0 "[ . 1]" 2
18 1 39 ASP N 1 42 LYS O 2.500 2.300 3.200 2.532 2.427 2.721 . 0 0 "[ . 1]" 2
19 1 39 ASP O 1 42 LYS H 1.600 . 2.200 2.201 1.923 2.270 0.070 2 0 "[ . 1]" 2
20 1 39 ASP O 1 42 LYS N 2.500 2.300 3.200 3.116 2.853 3.190 . 0 0 "[ . 1]" 2
21 1 20 ILE O 1 43 TYR H 1.600 . 2.200 1.817 1.594 2.029 0.006 9 0 "[ . 1]" 2
22 1 20 ILE O 1 43 TYR N 2.500 2.300 3.200 2.553 2.521 2.596 . 0 0 "[ . 1]" 2
23 1 18 VAL O 1 45 ILE H 1.600 . 2.200 1.855 1.674 2.208 0.008 10 0 "[ . 1]" 2
24 1 18 VAL O 1 45 ILE N 2.500 2.300 3.200 2.696 2.590 3.021 . 0 0 "[ . 1]" 2
25 1 51 SER H 1 70 ALA O 1.600 . 2.200 2.271 2.233 2.305 0.105 1 0 "[ . 1]" 2
26 1 51 SER N 1 70 ALA O 2.500 2.300 3.200 3.125 2.942 3.183 . 0 0 "[ . 1]" 2
27 1 55 VAL H 1 66 MET O 1.600 . 2.200 1.978 1.686 2.217 0.017 2 0 "[ . 1]" 2
28 1 55 VAL N 1 66 MET O 2.500 2.300 3.200 2.881 2.568 3.137 . 0 0 "[ . 1]" 2
29 1 57 CYS H 1 64 HIS O 1.600 . 2.200 1.997 1.701 2.205 0.005 10 0 "[ . 1]" 2
30 1 57 CYS N 1 64 HIS O 2.500 2.300 3.200 2.699 2.555 2.903 . 0 0 "[ . 1]" 2
31 1 59 ALA O 1 62 GLN H 1.600 . 2.200 2.218 2.212 2.223 0.023 4 0 "[ . 1]" 2
32 1 59 ALA O 1 62 GLN N 2.500 2.300 3.200 3.017 2.990 3.044 . 0 0 "[ . 1]" 2
33 1 57 CYS O 1 64 HIS H 1.600 . 2.200 2.156 1.940 2.233 0.033 2 0 "[ . 1]" 2
34 1 57 CYS O 1 64 HIS N 2.500 2.300 3.200 3.107 2.907 3.204 0.004 2 0 "[ . 1]" 2
35 1 55 VAL O 1 66 MET H 1.600 . 2.200 1.823 1.629 2.080 . 0 0 "[ . 1]" 2
36 1 55 VAL O 1 66 MET N 2.500 2.300 3.200 2.766 2.553 3.007 . 0 0 "[ . 1]" 2
37 1 53 LEU O 1 68 LEU H 1.600 . 2.200 1.721 1.591 1.912 0.009 4 0 "[ . 1]" 2
38 1 53 LEU O 1 68 LEU N 2.500 2.300 3.200 2.641 2.504 2.830 . 0 0 "[ . 1]" 2
39 1 51 SER O 1 70 ALA H 1.600 . 2.200 2.301 2.280 2.342 0.142 10 0 "[ . 1]" 2
40 1 51 SER O 1 70 ALA N 2.500 2.300 3.200 3.129 3.094 3.210 0.010 10 0 "[ . 1]" 2
41 1 114 VAL H 1 117 LYS O 1.600 . 2.200 2.162 1.997 2.205 0.005 5 0 "[ . 1]" 2
42 1 114 VAL N 1 117 LYS O 2.500 2.300 3.200 3.004 2.951 3.037 . 0 0 "[ . 1]" 2
43 1 114 VAL O 1 117 LYS H 1.600 . 2.200 1.595 1.584 1.601 0.016 2 0 "[ . 1]" 2
44 1 114 VAL O 1 117 LYS N 2.500 2.300 3.200 2.572 2.562 2.580 . 0 0 "[ . 1]" 2
45 1 112 LYS O 1 119 PHE H 1.600 . 2.200 2.053 1.938 2.128 . 0 0 "[ . 1]" 2
46 1 112 LYS O 1 119 PHE N 2.500 2.300 3.200 2.823 2.676 2.899 . 0 0 "[ . 1]" 2
47 1 120 LEU H 1 147 LEU O 1.600 . 2.200 1.833 1.669 2.244 0.044 9 0 "[ . 1]" 2
48 1 120 LEU N 1 147 LEU O 2.500 2.300 3.200 2.661 2.562 2.975 . 0 0 "[ . 1]" 2
49 1 110 SER O 1 121 GLN H 1.600 . 2.200 2.190 1.973 2.246 0.046 3 0 "[ . 1]" 2
50 1 110 SER O 1 121 GLN N 2.500 2.300 3.200 2.980 2.655 3.134 . 0 0 "[ . 1]" 2
51 1 135 LYS H 1 161 THR O 1.600 . 2.200 1.838 1.699 1.988 . 0 0 "[ . 1]" 2
52 1 135 LYS N 1 161 THR O 2.500 2.300 3.200 2.800 2.621 2.945 . 0 0 "[ . 1]" 2
53 1 136 LYS H 1 139 GLU O 1.600 . 2.200 2.058 1.895 2.150 . 0 0 "[ . 1]" 2
54 1 136 LYS N 1 139 GLU O 2.500 2.300 3.200 2.629 2.524 2.714 . 0 0 "[ . 1]" 2
55 1 137 GLY H 1 159 THR O 1.600 . 2.200 2.252 2.209 2.280 0.080 6 0 "[ . 1]" 2
56 1 137 GLY N 1 159 THR O 2.500 2.300 3.200 3.229 3.174 3.257 0.057 8 0 "[ . 1]" 2
57 1 136 LYS O 1 139 GLU H 1.600 . 2.200 2.255 2.241 2.276 0.076 4 0 "[ . 1]" 2
58 1 136 LYS O 1 139 GLU N 2.500 2.300 3.200 2.840 2.811 2.868 . 0 0 "[ . 1]" 2
59 1 120 LEU O 1 147 LEU H 1.600 . 2.200 2.268 2.227 2.296 0.096 5 0 "[ . 1]" 2
60 1 120 LEU O 1 147 LEU N 2.500 2.300 3.200 3.082 3.005 3.131 . 0 0 "[ . 1]" 2
61 1 160 TYR H 1 172 LEU O 1.600 . 2.200 2.176 2.051 2.233 0.033 9 0 "[ . 1]" 2
62 1 160 TYR N 1 172 LEU O 2.500 2.300 3.200 3.055 2.935 3.124 . 0 0 "[ . 1]" 2
63 1 135 LYS O 1 161 THR H 1.600 . 2.200 1.756 1.646 1.857 . 0 0 "[ . 1]" 2
64 1 135 LYS O 1 161 THR N 2.500 2.300 3.200 2.568 2.526 2.667 . 0 0 "[ . 1]" 2
65 1 162 CYS H 1 170 SER O 1.600 . 2.200 1.761 1.687 2.031 . 0 0 "[ . 1]" 2
66 1 162 CYS N 1 170 SER O 2.500 2.300 3.200 2.643 2.571 2.781 . 0 0 "[ . 1]" 2
67 1 160 TYR O 1 172 LEU H 1.600 . 2.200 1.822 1.745 1.963 . 0 0 "[ . 1]" 2
68 1 160 TYR O 1 172 LEU N 2.500 2.300 3.200 2.503 2.436 2.535 . 0 0 "[ . 1]" 2
69 1 65 THR H 1 171 THR O 1.650 . 3.650 1.768 1.662 2.005 . 0 0 "[ . 1]" 2
70 1 65 THR N 1 171 THR O 1.650 . 3.650 2.609 2.549 2.815 . 0 0 "[ . 1]" 2
71 1 67 TYR H 1 173 HIS O 1.650 . 3.650 2.227 1.849 2.554 . 0 0 "[ . 1]" 2
72 1 67 TYR N 1 173 HIS O 1.650 . 3.650 3.047 2.709 3.510 . 0 0 "[ . 1]" 2
73 1 63 GLU O 1 171 THR H 1.650 . 3.650 2.485 2.264 2.706 . 0 0 "[ . 1]" 2
74 1 63 GLU O 1 171 THR N 1.650 . 3.650 3.442 3.212 3.651 0.001 5 0 "[ . 1]" 2
75 1 65 THR O 1 173 HIS H 1.650 . 3.650 1.914 1.645 2.298 0.005 3 0 "[ . 1]" 2
76 1 65 THR O 1 173 HIS N 1.650 . 3.650 2.810 2.593 3.065 . 0 0 "[ . 1]" 2
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