NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565632 |
2m3c   |
18953 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3c
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 944
_Distance_constraint_stats_list.Viol_count 1858
_Distance_constraint_stats_list.Viol_total 2465.838
_Distance_constraint_stats_list.Viol_max 0.449
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0885
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 1.665 0.153 13 0 "[ . 1 .]"
1 3 LYS 0.012 0.012 7 0 "[ . 1 .]"
1 4 ILE 1.816 0.163 15 0 "[ . 1 .]"
1 5 ILE 0.865 0.151 13 0 "[ . 1 .]"
1 6 PHE 1.055 0.080 10 0 "[ . 1 .]"
1 7 TYR 2.233 0.164 3 0 "[ . 1 .]"
1 8 GLU 1.497 0.148 10 0 "[ . 1 .]"
1 9 ASP 0.320 0.045 3 0 "[ . 1 .]"
1 11 ASN 0.372 0.042 6 0 "[ . 1 .]"
1 12 PHE 0.372 0.042 6 0 "[ . 1 .]"
1 14 GLY 1.065 0.148 10 0 "[ . 1 .]"
1 15 ARG 0.138 0.029 13 0 "[ . 1 .]"
1 16 TYR 0.402 0.057 15 0 "[ . 1 .]"
1 17 HIS 2.028 0.164 3 0 "[ . 1 .]"
1 18 GLU 0.608 0.080 10 0 "[ . 1 .]"
1 19 CYS 2.761 0.163 15 0 "[ . 1 .]"
1 20 MET 0.080 0.041 8 0 "[ . 1 .]"
1 21 SER 1.271 0.105 11 0 "[ . 1 .]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 23 CYS 0.416 0.127 1 0 "[ . 1 .]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 25 ASP 0.871 0.127 1 0 "[ . 1 .]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 27 HIS 0.055 0.014 5 0 "[ . 1 .]"
1 28 SER 2.321 0.231 10 0 "[ . 1 .]"
1 29 TYR 3.915 0.250 4 0 "[ . 1 .]"
1 30 PHE 1.992 0.250 4 0 "[ . 1 .]"
1 31 ASN 0.049 0.034 7 0 "[ . 1 .]"
1 32 ARG 3.419 0.255 15 0 "[ . 1 .]"
1 33 CYS 2.195 0.179 7 0 "[ . 1 .]"
1 34 HIS 0.320 0.045 3 0 "[ . 1 .]"
1 35 SER 0.204 0.054 13 0 "[ . 1 .]"
1 36 ILE 0.310 0.091 13 0 "[ . 1 .]"
1 37 ARG 0.044 0.033 14 0 "[ . 1 .]"
1 38 VAL 4.891 0.305 14 0 "[ . 1 .]"
1 39 GLU 0.699 0.042 10 0 "[ . 1 .]"
1 40 SER 3.913 0.305 14 0 "[ . 1 .]"
1 41 GLY 1.665 0.153 13 0 "[ . 1 .]"
1 42 CYS 0.015 0.015 3 0 "[ . 1 .]"
1 43 PHE 0.312 0.072 10 0 "[ . 1 .]"
1 44 MET 0.038 0.021 11 0 "[ . 1 .]"
1 45 VAL 4.225 0.270 4 0 "[ . 1 .]"
1 46 TYR 3.946 0.270 4 0 "[ . 1 .]"
1 47 ASP 1.862 0.131 13 0 "[ . 1 .]"
1 48 ARG 0.054 0.033 2 0 "[ . 1 .]"
1 49 THR 5.327 0.237 4 0 "[ . 1 .]"
1 50 ASN 0.116 0.116 15 0 "[ . 1 .]"
1 51 PHE 3.745 0.285 4 0 "[ . 1 .]"
1 52 MET 4.833 0.285 4 0 "[ . 1 .]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 54 ARG 2.122 0.149 1 0 "[ . 1 .]"
1 55 GLN 0.114 0.048 13 0 "[ . 1 .]"
1 56 TYR 1.583 0.214 13 0 "[ . 1 .]"
1 57 PHE 4.046 0.203 12 0 "[ . 1 .]"
1 58 LEU 0.145 0.072 10 0 "[ . 1 .]"
1 59 ARG 1.062 0.202 6 0 "[ . 1 .]"
1 60 ARG 1.009 0.102 9 0 "[ . 1 .]"
1 61 GLY 1.019 0.202 6 0 "[ . 1 .]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 63 TYR 1.157 0.084 4 0 "[ . 1 .]"
1 64 PRO 0.437 0.075 7 0 "[ . 1 .]"
1 65 ASP 0.568 0.094 8 0 "[ . 1 .]"
1 66 TYR 1.643 0.252 15 0 "[ . 1 .]"
1 67 MET 0.855 0.094 8 0 "[ . 1 .]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 69 THR 0.627 0.084 4 0 "[ . 1 .]"
1 70 MET 1.784 0.252 15 0 "[ . 1 .]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 72 MET 2.019 0.149 1 0 "[ . 1 .]"
1 73 ASN 0.037 0.024 11 0 "[ . 1 .]"
1 74 ASP 4.187 0.255 15 0 "[ . 1 .]"
1 75 CYS 0.802 0.074 3 0 "[ . 1 .]"
1 76 VAL 5.574 0.250 10 0 "[ . 1 .]"
1 77 ARG 2.212 0.237 4 0 "[ . 1 .]"
1 78 SER 4.140 0.250 10 0 "[ . 1 .]"
1 79 CYS 2.618 0.223 4 0 "[ . 1 .]"
1 80 ARG 0.101 0.046 10 0 "[ . 1 .]"
1 81 MET 0.237 0.047 11 0 "[ . 1 .]"
1 82 ILE 0.209 0.071 10 0 "[ . 1 .]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 84 LEU 0.568 0.098 2 0 "[ . 1 .]"
1 85 HIS 0.543 0.098 2 0 "[ . 1 .]"
1 86 HIS 0.782 0.192 5 0 "[ . 1 .]"
1 87 GLY 0.140 0.140 14 0 "[ . 1 .]"
1 88 SER 0.353 0.317 10 0 "[ . 1 .]"
1 89 PHE 1.618 0.317 10 0 "[ . 1 .]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 91 MET 0.780 0.127 9 0 "[ . 1 .]"
1 92 ARG 3.743 0.221 8 0 "[ . 1 .]"
1 93 LEU 9.943 0.266 11 0 "[ . 1 .]"
1 94 TYR 2.254 0.138 15 0 "[ . 1 .]"
1 95 GLU 0.724 0.052 13 0 "[ . 1 .]"
1 96 HIS 3.608 0.148 11 0 "[ . 1 .]"
1 97 SER 0.597 0.100 3 0 "[ . 1 .]"
1 98 ASP 0.100 0.100 3 0 "[ . 1 .]"
1 99 MET 3.633 0.239 3 0 "[ . 1 .]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 102 ARG 0.473 0.093 2 0 "[ . 1 .]"
1 103 MET 0.000 0.000 . 0 "[ . 1 .]"
1 104 MET 6.700 0.258 1 0 "[ . 1 .]"
1 105 GLU 0.001 0.001 9 0 "[ . 1 .]"
1 106 LEU 4.507 0.178 13 0 "[ . 1 .]"
1 107 MET 0.036 0.028 9 0 "[ . 1 .]"
1 108 ASP 1.323 0.123 15 0 "[ . 1 .]"
1 109 ASP 1.006 0.123 15 0 "[ . 1 .]"
1 110 CYS 3.133 0.178 13 0 "[ . 1 .]"
1 111 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 112 ASN 4.329 0.241 3 0 "[ . 1 .]"
1 113 LEU 5.368 0.242 3 0 "[ . 1 .]"
1 114 MET 1.327 0.191 3 0 "[ . 1 .]"
1 115 ASP 0.499 0.046 15 0 "[ . 1 .]"
1 116 ARG 3.398 0.242 3 0 "[ . 1 .]"
1 117 PHE 2.568 0.110 11 0 "[ . 1 .]"
1 118 ASN 2.643 0.191 3 0 "[ . 1 .]"
1 119 MET 5.655 0.286 12 0 "[ . 1 .]"
1 120 SER 0.274 0.050 15 0 "[ . 1 .]"
1 121 ASP 3.554 0.286 12 0 "[ . 1 .]"
1 122 PHE 1.356 0.137 7 0 "[ . 1 .]"
1 123 HIS 1.762 0.148 11 0 "[ . 1 .]"
1 124 SER 4.230 0.266 11 0 "[ . 1 .]"
1 125 CYS 0.307 0.057 8 0 "[ . 1 .]"
1 126 HIS 2.503 0.167 2 0 "[ . 1 .]"
1 127 VAL 11.646 0.248 2 0 "[ . 1 .]"
1 128 MET 0.000 0.000 . 0 "[ . 1 .]"
1 129 ASP 2.441 0.248 2 0 "[ . 1 .]"
1 130 GLY 0.683 0.192 5 0 "[ . 1 .]"
1 131 HIS 1.037 0.174 6 0 "[ . 1 .]"
1 132 TRP 2.472 0.127 9 0 "[ . 1 .]"
1 133 LEU 5.511 0.203 12 0 "[ . 1 .]"
1 134 VAL 1.499 0.133 12 0 "[ . 1 .]"
1 135 TYR 10.925 0.215 9 0 "[ . 1 .]"
1 136 GLU 2.411 0.201 8 0 "[ . 1 .]"
1 137 GLN 2.422 0.196 7 0 "[ . 1 .]"
1 138 PRO 3.151 0.231 7 0 "[ . 1 .]"
1 139 ASN 0.572 0.193 14 0 "[ . 1 .]"
1 140 TYR 0.212 0.088 6 0 "[ . 1 .]"
1 141 THR 0.000 0.000 . 0 "[ . 1 .]"
1 142 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 143 ARG 2.411 0.201 8 0 "[ . 1 .]"
1 144 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 145 PHE 2.683 0.215 9 0 "[ . 1 .]"
1 146 TYR 0.251 0.047 4 0 "[ . 1 .]"
1 147 LEU 7.182 0.224 8 0 "[ . 1 .]"
1 148 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 149 PRO 3.097 0.239 11 0 "[ . 1 .]"
1 150 GLY 0.059 0.031 9 0 "[ . 1 .]"
1 151 GLU 0.592 0.071 5 0 "[ . 1 .]"
1 152 TYR 0.147 0.042 8 0 "[ . 1 .]"
1 153 ARG 5.346 0.239 3 0 "[ . 1 .]"
1 154 SER 0.095 0.041 11 0 "[ . 1 .]"
1 155 TYR 3.636 0.237 5 0 "[ . 1 .]"
1 156 ASN 1.892 0.118 12 0 "[ . 1 .]"
1 157 ASP 0.050 0.041 5 0 "[ . 1 .]"
1 158 TRP 7.288 0.117 3 0 "[ . 1 .]"
1 159 GLY 0.281 0.046 11 0 "[ . 1 .]"
1 160 GLY 3.095 0.237 5 0 "[ . 1 .]"
1 161 VAL 2.170 0.212 4 0 "[ . 1 .]"
1 162 THR 3.434 0.212 4 0 "[ . 1 .]"
1 163 SER 3.408 0.211 10 0 "[ . 1 .]"
1 164 ARG 0.340 0.064 11 0 "[ . 1 .]"
1 165 MET 3.445 0.268 11 0 "[ . 1 .]"
1 166 GLY 1.703 0.141 4 0 "[ . 1 .]"
1 167 SER 8.624 0.283 8 0 "[ . 1 .]"
1 168 ILE 10.718 0.241 3 0 "[ . 1 .]"
1 169 ARG 4.401 0.203 12 0 "[ . 1 .]"
1 170 ARG 0.316 0.091 8 0 "[ . 1 .]"
1 171 ILE 1.460 0.285 9 0 "[ . 1 .]"
1 172 THR 0.781 0.285 9 0 "[ . 1 .]"
1 173 ASP 2.109 0.449 5 0 "[ . 1 .]"
1 174 LEU 1.613 0.449 5 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 2 GLY QA 1 3 LYS H 2.700 . 3.000 2.236 2.184 2.273 . 0 0 "[ . 1 .]" 1
2 1 2 GLY QA 1 40 SER H 5.000 . 5.300 3.464 3.053 3.730 . 0 0 "[ . 1 .]" 1
3 1 2 GLY QA 1 41 GLY H 3.500 . 3.800 3.911 3.833 3.953 0.153 13 0 "[ . 1 .]" 1
4 1 2 GLY QA 1 41 GLY QA 3.500 . 4.100 2.452 2.227 2.734 . 0 0 "[ . 1 .]" 1
5 1 2 GLY QA 1 42 CYS H 5.000 . 5.300 4.007 3.270 4.628 . 0 0 "[ . 1 .]" 1
6 1 3 LYS HA 1 4 ILE H 2.700 . 2.700 2.261 2.209 2.386 . 0 0 "[ . 1 .]" 1
7 1 3 LYS HA 1 4 ILE MG 5.000 . 5.500 4.003 3.302 5.407 . 0 0 "[ . 1 .]" 1
8 1 3 LYS HA 1 20 MET HA 3.500 . 3.500 3.160 2.956 3.512 0.012 7 0 "[ . 1 .]" 1
9 1 3 LYS H 1 39 GLU H 5.000 . 5.000 3.585 3.300 3.859 . 0 0 "[ . 1 .]" 1
10 1 3 LYS H 1 40 SER H 3.500 . 3.500 2.520 2.404 2.644 . 0 0 "[ . 1 .]" 1
11 1 3 LYS QB 1 39 GLU QB 3.500 . 4.100 2.718 2.245 4.098 . 0 0 "[ . 1 .]" 1
12 1 3 LYS H 1 40 SER QB 5.000 . 5.300 3.460 3.104 4.343 . 0 0 "[ . 1 .]" 1
13 1 4 ILE HA 1 5 ILE H 2.700 . 2.700 2.183 2.153 2.198 . 0 0 "[ . 1 .]" 1
14 1 4 ILE MG 1 6 PHE QE 5.000 . 5.800 2.375 2.106 3.165 . 0 0 "[ . 1 .]" 1
15 1 4 ILE MD 1 6 PHE QD 5.000 . 5.800 4.409 3.834 5.797 . 0 0 "[ . 1 .]" 1
16 1 4 ILE H 1 19 CYS H 3.500 . 3.500 3.602 3.510 3.663 0.163 15 0 "[ . 1 .]" 1
17 1 4 ILE MG 1 19 CYS QB 3.500 . 4.300 2.364 1.899 3.642 . 0 0 "[ . 1 .]" 1
18 1 4 ILE H 1 20 MET HA 5.000 . 5.000 3.402 3.257 3.493 . 0 0 "[ . 1 .]" 1
19 1 4 ILE HA 1 38 VAL HA 3.500 . 3.500 2.299 2.186 2.530 . 0 0 "[ . 1 .]" 1
20 1 4 ILE QG 1 38 VAL MG2 5.000 . 5.800 2.694 2.112 4.222 . 0 0 "[ . 1 .]" 1
21 1 4 ILE HA 1 39 GLU H 3.500 . 3.500 3.221 2.993 3.531 0.031 7 0 "[ . 1 .]" 1
22 1 4 ILE MD 1 43 PHE QD 5.000 . 5.800 2.638 2.048 3.995 . 0 0 "[ . 1 .]" 1
23 1 4 ILE MG 1 43 PHE QD 5.000 . 5.800 3.098 2.665 3.791 . 0 0 "[ . 1 .]" 1
24 1 5 ILE HA 1 6 PHE H 2.700 . 2.700 2.185 2.171 2.193 . 0 0 "[ . 1 .]" 1
25 1 5 ILE MG 1 7 TYR QE 5.000 . 5.800 2.339 2.076 2.656 . 0 0 "[ . 1 .]" 1
26 1 5 ILE MD 1 7 TYR QE 5.000 . 5.800 3.235 3.007 4.484 . 0 0 "[ . 1 .]" 1
27 1 5 ILE MG 1 16 TYR HA 5.000 . 5.500 3.932 3.812 4.185 . 0 0 "[ . 1 .]" 1
28 1 5 ILE MG 1 17 HIS H 3.500 . 4.000 2.722 2.558 2.944 . 0 0 "[ . 1 .]" 1
29 1 5 ILE HA 1 18 GLU HA 3.500 . 3.500 2.218 2.134 2.259 . 0 0 "[ . 1 .]" 1
30 1 5 ILE HA 1 19 CYS H 5.000 . 5.000 2.783 2.668 2.971 . 0 0 "[ . 1 .]" 1
31 1 5 ILE H 1 37 ARG H 3.500 . 3.500 3.016 2.802 3.262 . 0 0 "[ . 1 .]" 1
32 1 5 ILE H 1 38 VAL HA 3.500 . 3.500 3.556 3.479 3.651 0.151 13 0 "[ . 1 .]" 1
33 1 5 ILE MD 1 38 VAL HA 6.000 . 6.500 5.771 5.463 6.089 . 0 0 "[ . 1 .]" 1
34 1 5 ILE H 1 39 GLU H 5.000 . 5.000 4.421 4.254 4.724 . 0 0 "[ . 1 .]" 1
35 1 5 ILE MD 1 39 GLU H 5.000 . 5.500 5.169 4.978 5.485 . 0 0 "[ . 1 .]" 1
36 1 6 PHE HA 1 7 TYR H 2.700 . 2.700 2.386 2.248 2.535 . 0 0 "[ . 1 .]" 1
37 1 6 PHE H 1 16 TYR HA 5.000 . 5.000 5.026 4.985 5.057 0.057 15 0 "[ . 1 .]" 1
38 1 6 PHE H 1 17 HIS H 3.500 . 3.500 3.029 2.955 3.094 . 0 0 "[ . 1 .]" 1
39 1 6 PHE H 1 18 GLU HA 3.500 . 3.500 3.538 3.465 3.580 0.080 10 0 "[ . 1 .]" 1
40 1 6 PHE QE 1 26 LEU MD1 3.500 . 4.300 3.521 3.086 3.975 . 0 0 "[ . 1 .]" 1
41 1 6 PHE HA 1 36 ILE HA 5.000 . 5.000 2.238 2.158 2.281 . 0 0 "[ . 1 .]" 1
42 1 6 PHE QD 1 36 ILE MD 5.000 . 5.800 3.121 2.726 3.486 . 0 0 "[ . 1 .]" 1
43 1 6 PHE HA 1 37 ARG H 3.500 . 3.500 3.317 3.097 3.533 0.033 14 0 "[ . 1 .]" 1
44 1 6 PHE QD 1 76 VAL MG1 5.000 . 5.800 5.326 4.957 5.802 0.002 13 0 "[ . 1 .]" 1
45 1 6 PHE QD 1 76 VAL MG2 5.000 . 5.800 3.902 3.409 4.460 . 0 0 "[ . 1 .]" 1
46 1 7 TYR HA 1 8 GLU H 2.700 . 2.700 2.231 2.200 2.258 . 0 0 "[ . 1 .]" 1
47 1 7 TYR HA 1 16 TYR HA 2.700 . 2.700 2.220 2.146 2.299 . 0 0 "[ . 1 .]" 1
48 1 7 TYR HA 1 17 HIS H 3.500 . 3.500 3.635 3.611 3.664 0.164 3 0 "[ . 1 .]" 1
49 1 7 TYR H 1 35 SER H 3.500 . 3.500 3.462 3.345 3.554 0.054 13 0 "[ . 1 .]" 1
50 1 7 TYR H 1 36 ILE HA 3.500 . 3.500 3.093 2.864 3.296 . 0 0 "[ . 1 .]" 1
51 1 8 GLU H 1 9 ASP H 3.500 . 3.500 2.629 2.515 2.710 . 0 0 "[ . 1 .]" 1
52 1 8 GLU HA 1 9 ASP H 5.000 . 5.000 3.558 3.496 3.602 . 0 0 "[ . 1 .]" 1
53 1 8 GLU H 1 14 GLY QA 3.500 . 3.800 3.871 3.834 3.948 0.148 10 0 "[ . 1 .]" 1
54 1 8 GLU QB 1 14 GLY QA 5.000 . 5.300 2.498 2.291 2.984 . 0 0 "[ . 1 .]" 1
55 1 8 GLU H 1 15 ARG H 3.500 . 3.500 3.505 3.481 3.529 0.029 13 0 "[ . 1 .]" 1
56 1 8 GLU H 1 16 TYR HA 3.500 . 3.500 3.329 3.178 3.451 . 0 0 "[ . 1 .]" 1
57 1 8 GLU QB 1 30 PHE QB 5.000 . 5.600 4.484 4.264 5.074 . 0 0 "[ . 1 .]" 1
58 1 8 GLU QG 1 30 PHE QB 3.500 . 4.100 4.075 3.418 4.141 0.041 10 0 "[ . 1 .]" 1
59 1 8 GLU HA 1 33 CYS HA 3.500 . 3.500 2.378 2.274 2.488 . 0 0 "[ . 1 .]" 1
60 1 8 GLU HA 1 34 HIS H 3.500 . 3.500 2.734 2.480 2.879 . 0 0 "[ . 1 .]" 1
61 1 8 GLU HA 1 35 SER H 5.000 . 5.000 3.920 3.737 4.140 . 0 0 "[ . 1 .]" 1
62 1 8 GLU QG 1 32 ARG H 5.000 . 5.300 4.491 4.232 4.743 . 0 0 "[ . 1 .]" 1
63 1 9 ASP H 1 14 GLY QA 3.500 . 3.800 2.848 2.634 3.138 . 0 0 "[ . 1 .]" 1
64 1 9 ASP H 1 15 ARG H 5.000 . 5.000 3.992 3.847 4.231 . 0 0 "[ . 1 .]" 1
65 1 9 ASP HA 1 34 HIS H 5.000 . 5.000 4.987 4.886 5.042 0.042 9 0 "[ . 1 .]" 1
66 1 9 ASP HA 1 34 HIS QB 3.500 . 3.800 3.784 3.624 3.845 0.045 3 0 "[ . 1 .]" 1
67 1 9 ASP HA 1 34 HIS HD2 5.000 . 5.000 4.332 3.376 4.938 . 0 0 "[ . 1 .]" 1
68 1 11 ASN HA 1 12 PHE QD 3.500 . 3.800 3.395 2.939 3.834 0.034 3 0 "[ . 1 .]" 1
69 1 11 ASN QB 1 12 PHE QD 3.500 . 4.100 3.819 3.049 4.142 0.042 6 0 "[ . 1 .]" 1
70 1 12 PHE QE 1 62 GLU QB 5.000 . 5.600 3.453 3.304 3.691 . 0 0 "[ . 1 .]" 1
71 1 12 PHE HZ 1 62 GLU QB 5.000 . 5.300 2.627 2.330 2.812 . 0 0 "[ . 1 .]" 1
72 1 12 PHE HZ 1 63 TYR H 3.500 . 3.500 3.401 3.364 3.438 . 0 0 "[ . 1 .]" 1
73 1 12 PHE QE 1 63 TYR H 3.500 . 3.800 3.521 3.273 3.760 . 0 0 "[ . 1 .]" 1
74 1 12 PHE HZ 1 64 PRO QD 5.000 . 5.300 3.305 3.072 3.456 . 0 0 "[ . 1 .]" 1
75 1 14 GLY H 1 15 ARG H 5.000 . 5.000 4.672 4.631 4.707 . 0 0 "[ . 1 .]" 1
76 1 14 GLY QA 1 15 ARG H 2.700 . 3.000 2.233 2.195 2.291 . 0 0 "[ . 1 .]" 1
77 1 15 ARG HA 1 16 TYR H 2.700 . 2.700 2.175 2.168 2.184 . 0 0 "[ . 1 .]" 1
78 1 15 ARG QB 1 30 PHE QB 5.000 . 5.600 4.016 3.749 4.533 . 0 0 "[ . 1 .]" 1
79 1 15 ARG QG 1 30 PHE QB 5.000 . 5.600 5.218 4.388 5.608 0.008 1 0 "[ . 1 .]" 1
80 1 16 TYR HA 1 17 HIS H 2.700 . 2.700 2.360 2.296 2.401 . 0 0 "[ . 1 .]" 1
81 1 17 HIS HA 1 18 GLU H 2.700 . 2.700 2.205 2.195 2.218 . 0 0 "[ . 1 .]" 1
82 1 17 HIS QB 1 29 TYR QB 5.000 . 5.600 3.690 3.275 4.042 . 0 0 "[ . 1 .]" 1
83 1 18 GLU HA 1 19 CYS H 2.700 . 2.700 2.201 2.191 2.218 . 0 0 "[ . 1 .]" 1
84 1 19 CYS H 1 20 MET H 5.000 . 5.000 4.445 4.402 4.486 . 0 0 "[ . 1 .]" 1
85 1 19 CYS HA 1 20 MET H 2.700 . 2.700 2.195 2.167 2.217 . 0 0 "[ . 1 .]" 1
86 1 19 CYS HA 1 21 SER H 3.500 . 3.500 3.574 3.545 3.605 0.105 11 0 "[ . 1 .]" 1
87 1 19 CYS QB 1 21 SER H 3.500 . 3.800 3.160 3.013 3.332 . 0 0 "[ . 1 .]" 1
88 1 19 CYS QB 1 23 CYS QB 3.500 . 4.100 4.038 3.881 4.145 0.045 13 0 "[ . 1 .]" 1
89 1 20 MET H 1 21 SER H 2.700 . 2.700 1.861 1.759 1.941 0.041 8 0 "[ . 1 .]" 1
90 1 20 MET HA 1 21 SER H 3.500 . 3.500 3.194 3.141 3.251 . 0 0 "[ . 1 .]" 1
91 1 21 SER HA 1 22 ASP H 2.700 . 2.700 2.383 2.297 2.507 . 0 0 "[ . 1 .]" 1
92 1 21 SER QB 1 22 ASP H 3.500 . 3.800 2.935 2.326 3.504 . 0 0 "[ . 1 .]" 1
93 1 21 SER HA 1 81 MET H 5.000 . 5.000 4.880 4.619 5.022 0.022 10 0 "[ . 1 .]" 1
94 1 21 SER HA 1 81 MET QB 3.500 . 3.800 3.294 2.811 3.820 0.020 4 0 "[ . 1 .]" 1
95 1 21 SER HA 1 81 MET ME 3.500 . 4.000 2.954 2.289 3.548 . 0 0 "[ . 1 .]" 1
96 1 21 SER QB 1 81 MET QB 5.000 . 5.600 4.870 4.488 5.464 . 0 0 "[ . 1 .]" 1
97 1 21 SER QB 1 81 MET ME 3.500 . 4.300 4.194 3.642 4.313 0.013 3 0 "[ . 1 .]" 1
98 1 22 ASP HA 1 23 CYS H 2.700 . 2.700 2.262 2.223 2.384 . 0 0 "[ . 1 .]" 1
99 1 22 ASP HA 1 80 ARG HA 3.500 . 3.500 2.405 2.264 2.529 . 0 0 "[ . 1 .]" 1
100 1 22 ASP H 1 80 ARG HA 5.000 . 5.000 4.553 4.391 4.831 . 0 0 "[ . 1 .]" 1
101 1 22 ASP HA 1 81 MET H 3.500 . 3.500 3.021 2.688 3.115 . 0 0 "[ . 1 .]" 1
102 1 22 ASP H 1 81 MET H 5.000 . 5.000 3.780 3.544 4.031 . 0 0 "[ . 1 .]" 1
103 1 23 CYS HA 1 24 ALA H 2.700 . 2.700 2.207 2.180 2.225 . 0 0 "[ . 1 .]" 1
104 1 23 CYS HA 1 25 ASP H 3.500 . 3.500 3.410 3.249 3.627 0.127 1 0 "[ . 1 .]" 1
105 1 23 CYS QB 1 26 LEU MD2 3.500 . 4.300 2.351 2.117 2.751 . 0 0 "[ . 1 .]" 1
106 1 23 CYS H 1 51 PHE QE 5.000 . 5.300 2.885 2.292 3.415 . 0 0 "[ . 1 .]" 1
107 1 23 CYS H 1 79 CYS H 3.500 . 3.500 3.192 3.035 3.443 . 0 0 "[ . 1 .]" 1
108 1 23 CYS H 1 80 ARG HA 3.500 . 3.500 3.352 3.178 3.508 0.008 11 0 "[ . 1 .]" 1
109 1 23 CYS H 1 81 MET H 5.000 . 5.000 4.955 4.693 5.047 0.047 11 0 "[ . 1 .]" 1
110 1 24 ALA H 1 25 ASP H 3.500 . 3.500 2.405 2.246 2.961 . 0 0 "[ . 1 .]" 1
111 1 24 ALA HA 1 25 ASP H 3.500 . 3.500 3.265 2.787 3.398 . 0 0 "[ . 1 .]" 1
112 1 24 ALA HA 1 50 ASN HA 3.500 . 3.500 3.138 2.783 3.444 . 0 0 "[ . 1 .]" 1
113 1 24 ALA HA 1 50 ASN H 5.000 . 5.000 2.527 2.324 2.692 . 0 0 "[ . 1 .]" 1
114 1 24 ALA HA 1 78 SER HA 5.000 . 5.000 3.311 2.943 3.606 . 0 0 "[ . 1 .]" 1
115 1 24 ALA HA 1 79 CYS H 3.500 . 3.500 3.237 2.902 3.468 . 0 0 "[ . 1 .]" 1
116 1 25 ASP H 1 26 LEU H 5.000 . 5.000 3.794 3.343 3.986 . 0 0 "[ . 1 .]" 1
117 1 25 ASP HA 1 26 LEU H 2.700 . 2.700 2.279 2.251 2.328 . 0 0 "[ . 1 .]" 1
118 1 25 ASP HA 1 27 HIS H 5.000 . 5.000 3.348 3.229 3.574 . 0 0 "[ . 1 .]" 1
119 1 25 ASP H 1 49 THR HB 5.000 . 5.000 5.049 5.000 5.099 0.099 15 0 "[ . 1 .]" 1
120 1 25 ASP HA 1 49 THR HA 5.000 . 5.000 3.940 3.697 4.455 . 0 0 "[ . 1 .]" 1
121 1 25 ASP HA 1 49 THR MG 3.500 . 4.000 2.862 2.565 3.603 . 0 0 "[ . 1 .]" 1
122 1 25 ASP H 1 78 SER QB 5.000 . 5.300 4.488 3.788 5.107 . 0 0 "[ . 1 .]" 1
123 1 25 ASP H 1 79 CYS H 5.000 . 5.000 4.790 4.110 4.961 . 0 0 "[ . 1 .]" 1
124 1 26 LEU H 1 27 HIS H 2.700 . 2.700 2.115 1.971 2.219 . 0 0 "[ . 1 .]" 1
125 1 26 LEU HA 1 28 SER H 5.000 . 5.000 4.034 3.769 4.330 . 0 0 "[ . 1 .]" 1
126 1 26 LEU HA 1 29 TYR H 3.500 . 3.500 3.328 3.174 3.476 . 0 0 "[ . 1 .]" 1
127 1 26 LEU MD1 1 30 PHE QE 3.500 . 4.300 3.538 3.287 3.878 . 0 0 "[ . 1 .]" 1
128 1 26 LEU MD1 1 78 SER H 3.500 . 4.000 2.900 2.548 3.287 . 0 0 "[ . 1 .]" 1
129 1 26 LEU MD1 1 78 SER HA 5.000 . 5.500 2.784 2.467 3.039 . 0 0 "[ . 1 .]" 1
130 1 26 LEU HG 1 78 SER HA 5.000 . 5.000 2.631 2.310 3.077 . 0 0 "[ . 1 .]" 1
131 1 26 LEU MD1 1 79 CYS H 5.000 . 5.500 3.444 3.010 3.634 . 0 0 "[ . 1 .]" 1
132 1 26 LEU MD1 1 79 CYS QB 5.000 . 5.800 2.165 2.018 2.273 . 0 0 "[ . 1 .]" 1
133 1 27 HIS H 1 28 SER H 2.700 . 2.700 2.691 2.629 2.714 0.014 5 0 "[ . 1 .]" 1
134 1 27 HIS H 1 29 TYR H 5.000 . 5.000 4.341 3.946 4.640 . 0 0 "[ . 1 .]" 1
135 1 27 HIS HA 1 29 TYR H 5.000 . 5.000 4.310 3.680 4.719 . 0 0 "[ . 1 .]" 1
136 1 27 HIS HA 1 30 PHE H 3.500 . 3.500 3.235 3.028 3.419 . 0 0 "[ . 1 .]" 1
137 1 27 HIS QB 1 49 THR MG 5.000 . 5.800 3.329 3.147 3.478 . 0 0 "[ . 1 .]" 1
138 1 27 HIS HD2 1 31 ASN HA 5.000 . 5.000 3.539 3.046 5.003 0.003 11 0 "[ . 1 .]" 1
139 1 27 HIS HD2 1 49 THR MG 5.000 . 5.500 5.338 4.997 5.484 . 0 0 "[ . 1 .]" 1
140 1 28 SER H 1 29 TYR H 2.700 . 2.700 2.849 2.670 2.931 0.231 10 0 "[ . 1 .]" 1
141 1 28 SER QB 1 30 PHE H 5.000 . 5.300 4.880 4.672 5.281 . 0 0 "[ . 1 .]" 1
142 1 29 TYR H 1 30 PHE H 2.700 . 2.700 2.674 2.178 2.950 0.250 4 0 "[ . 1 .]" 1
143 1 30 PHE HA 1 31 ASN H 2.700 . 2.700 2.316 2.291 2.341 . 0 0 "[ . 1 .]" 1
144 1 30 PHE HA 1 32 ARG H 5.000 . 5.000 3.873 3.832 3.958 . 0 0 "[ . 1 .]" 1
145 1 30 PHE QB 1 32 ARG H 3.500 . 3.800 2.491 2.357 2.615 . 0 0 "[ . 1 .]" 1
146 1 30 PHE QD 1 32 ARG H 3.500 . 3.800 2.527 2.291 2.754 . 0 0 "[ . 1 .]" 1
147 1 30 PHE QE 1 32 ARG H 5.000 . 5.300 4.789 4.542 5.005 . 0 0 "[ . 1 .]" 1
148 1 30 PHE QE 1 33 CYS HA 5.000 . 5.300 5.281 5.190 5.318 0.018 2 0 "[ . 1 .]" 1
149 1 30 PHE QD 1 33 CYS QB 5.000 . 5.600 3.007 2.909 3.123 . 0 0 "[ . 1 .]" 1
150 1 30 PHE QE 1 33 CYS QB 5.000 . 5.600 2.840 2.785 2.880 . 0 0 "[ . 1 .]" 1
151 1 30 PHE QE 1 76 VAL MG1 5.000 . 5.800 4.948 4.759 5.044 . 0 0 "[ . 1 .]" 1
152 1 30 PHE QE 1 76 VAL MG2 5.000 . 5.800 3.724 2.577 4.576 . 0 0 "[ . 1 .]" 1
153 1 31 ASN H 1 32 ARG H 2.700 . 2.700 2.283 2.185 2.358 . 0 0 "[ . 1 .]" 1
154 1 31 ASN QB 1 32 ARG H 3.500 . 3.800 3.462 3.193 3.834 0.034 7 0 "[ . 1 .]" 1
155 1 32 ARG HA 1 33 CYS H 2.700 . 2.700 2.349 2.272 2.420 . 0 0 "[ . 1 .]" 1
156 1 32 ARG HA 1 74 ASP H 6.000 . 6.000 6.225 6.197 6.255 0.255 15 0 "[ . 1 .]" 1
157 1 32 ARG HA 1 67 MET ME 3.500 . 4.000 3.742 3.329 4.004 0.004 3 0 "[ . 1 .]" 1
158 1 32 ARG HA 1 75 CYS QB 5.000 . 5.300 2.332 2.275 2.410 . 0 0 "[ . 1 .]" 1
159 1 33 CYS HA 1 34 HIS H 2.700 . 2.700 2.155 2.099 2.206 . 0 0 "[ . 1 .]" 1
160 1 33 CYS HA 1 35 SER H 5.000 . 5.000 3.572 3.478 3.726 . 0 0 "[ . 1 .]" 1
161 1 33 CYS H 1 67 MET ME 5.000 . 5.500 2.764 2.301 3.166 . 0 0 "[ . 1 .]" 1
162 1 33 CYS H 1 74 ASP QB 5.000 . 5.300 5.326 5.268 5.364 0.064 11 0 "[ . 1 .]" 1
163 1 33 CYS H 1 75 CYS QB 5.000 . 5.300 1.823 1.775 1.866 0.025 14 0 "[ . 1 .]" 1
164 1 33 CYS H 1 76 VAL H 5.000 . 5.000 5.114 5.055 5.179 0.179 7 0 "[ . 1 .]" 1
165 1 34 HIS H 1 35 SER H 2.700 . 2.700 2.239 2.064 2.511 . 0 0 "[ . 1 .]" 1
166 1 34 HIS HA 1 35 SER H 5.000 . 5.000 3.393 3.327 3.486 . 0 0 "[ . 1 .]" 1
167 1 34 HIS HA 1 66 TYR QD 5.000 . 5.300 3.927 3.603 4.196 . 0 0 "[ . 1 .]" 1
168 1 34 HIS HA 1 66 TYR QE 3.500 . 3.800 3.213 2.797 3.683 . 0 0 "[ . 1 .]" 1
169 1 34 HIS HA 1 67 MET ME 5.000 . 5.500 3.109 2.383 4.125 . 0 0 "[ . 1 .]" 1
170 1 34 HIS HD2 1 67 MET ME 5.000 . 5.500 4.542 3.494 5.265 . 0 0 "[ . 1 .]" 1
171 1 34 HIS HE1 1 67 MET ME 3.500 . 4.000 3.025 2.302 3.716 . 0 0 "[ . 1 .]" 1
172 1 35 SER HA 1 36 ILE H 2.700 . 2.700 2.216 2.188 2.252 . 0 0 "[ . 1 .]" 1
173 1 35 SER HA 1 64 PRO HA 5.000 . 5.000 4.107 3.744 4.304 . 0 0 "[ . 1 .]" 1
174 1 36 ILE HA 1 37 ARG H 2.700 . 2.700 2.315 2.290 2.387 . 0 0 "[ . 1 .]" 1
175 1 36 ILE MG 1 38 VAL H 5.000 . 5.500 4.136 3.747 4.880 . 0 0 "[ . 1 .]" 1
176 1 36 ILE MG 1 38 VAL MG2 3.500 . 4.500 2.975 2.603 3.973 . 0 0 "[ . 1 .]" 1
177 1 36 ILE MD 1 43 PHE QE 5.000 . 5.800 5.509 3.945 5.814 0.014 15 0 "[ . 1 .]" 1
178 1 36 ILE MD 1 43 PHE QD 5.000 . 5.800 4.986 4.658 5.823 0.023 12 0 "[ . 1 .]" 1
179 1 36 ILE H 1 63 TYR H 5.000 . 5.000 3.927 3.827 4.084 . 0 0 "[ . 1 .]" 1
180 1 36 ILE MG 1 63 TYR QE 5.000 . 5.800 4.733 4.463 5.096 . 0 0 "[ . 1 .]" 1
181 1 36 ILE MG 1 63 TYR QD 3.500 . 4.300 3.485 3.153 3.909 . 0 0 "[ . 1 .]" 1
182 1 37 ARG HA 1 38 VAL H 2.700 . 2.700 2.174 2.147 2.213 . 0 0 "[ . 1 .]" 1
183 1 37 ARG HA 1 62 GLU HA 3.500 . 3.500 2.460 2.359 2.541 . 0 0 "[ . 1 .]" 1
184 1 37 ARG HA 1 63 TYR H 3.500 . 3.500 2.490 2.219 2.618 . 0 0 "[ . 1 .]" 1
185 1 38 VAL HA 1 39 GLU H 2.700 . 2.700 2.196 2.181 2.214 . 0 0 "[ . 1 .]" 1
186 1 38 VAL HA 1 40 SER H 3.500 . 3.500 3.726 3.691 3.805 0.305 14 0 "[ . 1 .]" 1
187 1 38 VAL MG1 1 40 SER H 3.500 . 4.000 2.397 2.243 2.779 . 0 0 "[ . 1 .]" 1
188 1 38 VAL MG1 1 40 SER HA 5.000 . 5.500 3.583 3.325 3.939 . 0 0 "[ . 1 .]" 1
189 1 38 VAL MG1 1 42 CYS HA 5.000 . 5.500 3.267 2.700 3.962 . 0 0 "[ . 1 .]" 1
190 1 38 VAL MG1 1 43 PHE H 5.000 . 5.500 4.075 3.800 4.416 . 0 0 "[ . 1 .]" 1
191 1 38 VAL MG1 1 43 PHE QD 5.000 . 5.800 4.219 2.751 4.797 . 0 0 "[ . 1 .]" 1
192 1 38 VAL MG2 1 43 PHE QD 5.000 . 5.800 4.147 3.891 4.487 . 0 0 "[ . 1 .]" 1
193 1 38 VAL MG1 1 59 ARG HA 3.500 . 4.000 3.570 2.998 4.042 0.042 14 0 "[ . 1 .]" 1
194 1 38 VAL MG1 1 60 ARG HA 3.500 . 4.000 2.193 2.047 2.775 . 0 0 "[ . 1 .]" 1
195 1 38 VAL MG1 1 60 ARG H 5.000 . 5.500 3.254 2.924 3.559 . 0 0 "[ . 1 .]" 1
196 1 38 VAL MG1 1 61 GLY H 5.000 . 5.500 3.038 2.872 3.385 . 0 0 "[ . 1 .]" 1
197 1 38 VAL H 1 60 ARG HA 5.000 . 5.000 4.982 4.652 5.102 0.102 9 0 "[ . 1 .]" 1
198 1 38 VAL H 1 61 GLY H 3.500 . 3.500 3.345 3.095 3.485 . 0 0 "[ . 1 .]" 1
199 1 38 VAL H 1 62 GLU HA 3.200 . 3.200 2.856 2.715 3.011 . 0 0 "[ . 1 .]" 1
200 1 38 VAL H 1 63 TYR H 5.000 . 5.000 3.708 3.537 3.850 . 0 0 "[ . 1 .]" 1
201 1 38 VAL MG2 1 63 TYR QD 5.000 . 5.800 2.900 2.299 3.437 . 0 0 "[ . 1 .]" 1
202 1 38 VAL MG2 1 63 TYR QE 3.500 . 4.300 2.841 2.298 3.868 . 0 0 "[ . 1 .]" 1
203 1 39 GLU H 1 40 SER H 2.700 . 2.700 2.353 2.285 2.418 . 0 0 "[ . 1 .]" 1
204 1 39 GLU HA 1 40 SER H 3.500 . 3.500 3.535 3.525 3.542 0.042 10 0 "[ . 1 .]" 1
205 1 39 GLU HA 1 60 ARG QD 5.000 . 5.300 5.065 4.721 5.335 0.035 14 0 "[ . 1 .]" 1
206 1 39 GLU HA 1 61 GLY H 5.000 . 5.000 4.340 4.194 4.455 . 0 0 "[ . 1 .]" 1
207 1 39 GLU QB 1 40 SER QB 3.500 . 4.100 3.332 3.187 3.791 . 0 0 "[ . 1 .]" 1
208 1 40 SER HA 1 41 GLY H 2.700 . 2.700 2.281 2.212 2.340 . 0 0 "[ . 1 .]" 1
209 1 40 SER QB 1 41 GLY H 3.500 . 3.800 3.251 2.594 3.524 . 0 0 "[ . 1 .]" 1
210 1 40 SER HA 1 60 ARG HA 5.000 . 5.000 3.239 2.786 4.068 . 0 0 "[ . 1 .]" 1
211 1 40 SER HA 1 60 ARG QD 2.700 . 3.000 2.247 2.187 2.352 . 0 0 "[ . 1 .]" 1
212 1 40 SER HA 1 60 ARG QG 3.500 . 3.800 2.363 2.213 3.704 . 0 0 "[ . 1 .]" 1
213 1 40 SER QB 1 60 ARG QD 3.500 . 4.100 2.998 2.463 3.673 . 0 0 "[ . 1 .]" 1
214 1 41 GLY QA 1 42 CYS H 2.700 . 3.000 2.211 2.075 2.340 . 0 0 "[ . 1 .]" 1
215 1 41 GLY QA 1 174 LEU MD1 5.000 . 5.800 4.413 2.298 5.788 . 0 0 "[ . 1 .]" 1
216 1 42 CYS HA 1 43 PHE H 2.700 . 2.700 2.414 2.326 2.618 . 0 0 "[ . 1 .]" 1
217 1 42 CYS HA 1 59 ARG HA 3.500 . 3.500 2.335 2.224 2.477 . 0 0 "[ . 1 .]" 1
218 1 42 CYS QB 1 82 ILE HB 3.500 . 3.800 2.827 2.257 3.691 . 0 0 "[ . 1 .]" 1
219 1 42 CYS QB 1 82 ILE MD 3.500 . 4.300 2.455 2.014 4.315 0.015 3 0 "[ . 1 .]" 1
220 1 42 CYS QB 1 82 ILE MG 5.000 . 5.800 3.621 3.122 4.226 . 0 0 "[ . 1 .]" 1
221 1 43 PHE HA 1 44 MET H 2.700 . 2.700 2.227 2.174 2.477 . 0 0 "[ . 1 .]" 1
222 1 43 PHE QE 1 45 VAL MG1 3.500 . 4.300 2.937 2.015 4.309 0.009 14 0 "[ . 1 .]" 1
223 1 43 PHE H 1 58 LEU H 3.500 . 3.500 3.209 2.854 3.572 0.072 10 0 "[ . 1 .]" 1
224 1 43 PHE QD 1 58 LEU MD1 5.000 . 5.800 4.101 2.962 5.829 0.029 10 0 "[ . 1 .]" 1
225 1 43 PHE H 1 59 ARG HA 5.000 . 5.000 3.499 2.664 3.857 . 0 0 "[ . 1 .]" 1
226 1 43 PHE QD 1 79 CYS QB 5.000 . 5.600 3.287 2.292 4.111 . 0 0 "[ . 1 .]" 1
227 1 43 PHE QE 1 79 CYS QB 3.500 . 4.100 2.366 2.208 3.772 . 0 0 "[ . 1 .]" 1
228 1 43 PHE HA 1 81 MET HA 3.500 . 3.500 2.809 2.400 3.045 . 0 0 "[ . 1 .]" 1
229 1 43 PHE QD 1 81 MET HA 5.000 . 5.300 2.981 2.316 4.343 . 0 0 "[ . 1 .]" 1
230 1 43 PHE QD 1 81 MET ME 5.000 . 5.800 4.760 2.812 5.577 . 0 0 "[ . 1 .]" 1
231 1 43 PHE HA 1 82 ILE H 3.500 . 3.500 3.367 2.889 3.571 0.071 10 0 "[ . 1 .]" 1
232 1 43 PHE HA 1 82 ILE MD 5.000 . 5.500 3.745 2.301 4.428 . 0 0 "[ . 1 .]" 1
233 1 44 MET HA 1 45 VAL H 2.700 . 2.700 2.181 2.146 2.235 . 0 0 "[ . 1 .]" 1
234 1 44 MET HA 1 45 VAL MG2 5.000 . 5.500 3.761 3.618 3.846 . 0 0 "[ . 1 .]" 1
235 1 44 MET HA 1 56 TYR H 5.000 . 5.000 4.673 4.436 4.838 . 0 0 "[ . 1 .]" 1
236 1 44 MET ME 1 56 TYR H 5.000 . 5.500 3.206 2.536 4.792 . 0 0 "[ . 1 .]" 1
237 1 44 MET HA 1 57 PHE HA 3.500 . 3.500 2.629 2.298 2.761 . 0 0 "[ . 1 .]" 1
238 1 44 MET HA 1 58 LEU H 3.500 . 3.500 3.275 2.728 3.516 0.016 4 0 "[ . 1 .]" 1
239 1 44 MET H 1 80 ARG H 3.500 . 3.500 3.368 3.069 3.521 0.021 11 0 "[ . 1 .]" 1
240 1 44 MET H 1 81 MET HA 3.500 . 3.500 3.137 2.934 3.432 . 0 0 "[ . 1 .]" 1
241 1 44 MET H 1 82 ILE H 5.000 . 5.000 4.337 3.889 4.883 . 0 0 "[ . 1 .]" 1
242 1 44 MET H 1 82 ILE MD 5.000 . 5.500 3.909 2.687 4.470 . 0 0 "[ . 1 .]" 1
243 1 44 MET ME 1 82 ILE MD 5.000 . 6.000 4.554 2.958 5.532 . 0 0 "[ . 1 .]" 1
244 1 44 MET ME 1 146 TYR QD 3.500 . 4.300 3.452 2.603 4.014 . 0 0 "[ . 1 .]" 1
245 1 44 MET ME 1 146 TYR QE 5.000 . 5.800 4.987 3.836 5.584 . 0 0 "[ . 1 .]" 1
246 1 43 PHE QD 1 45 VAL MG1 5.000 . 5.800 2.274 1.981 2.697 . 0 0 "[ . 1 .]" 1
247 1 45 VAL HA 1 46 TYR H 2.700 . 2.700 2.221 2.182 2.263 . 0 0 "[ . 1 .]" 1
248 1 45 VAL HB 1 46 TYR H 2.700 . 2.700 2.894 2.831 2.970 0.270 4 0 "[ . 1 .]" 1
249 1 45 VAL H 1 55 GLN HA 6.000 . 6.000 4.830 4.545 4.961 . 0 0 "[ . 1 .]" 1
250 1 45 VAL H 1 56 TYR H 3.500 . 3.500 3.127 2.754 3.262 . 0 0 "[ . 1 .]" 1
251 1 45 VAL MG2 1 56 TYR H 5.000 . 5.500 2.554 1.924 2.709 . 0 0 "[ . 1 .]" 1
252 1 45 VAL MG2 1 56 TYR QD 3.500 . 4.300 2.897 2.610 3.357 . 0 0 "[ . 1 .]" 1
253 1 45 VAL MG2 1 56 TYR QB 3.500 . 4.300 1.973 1.950 2.031 . 0 0 "[ . 1 .]" 1
254 1 45 VAL H 1 57 PHE HA 3.500 . 3.500 3.582 3.533 3.620 0.120 7 0 "[ . 1 .]" 1
255 1 45 VAL H 1 58 LEU H 6.000 . 6.000 4.069 3.781 4.331 . 0 0 "[ . 1 .]" 1
256 1 45 VAL HA 1 79 CYS HA 3.500 . 3.500 2.278 2.175 2.390 . 0 0 "[ . 1 .]" 1
257 1 45 VAL MG1 1 79 CYS HA 5.000 . 5.500 3.820 3.597 4.057 . 0 0 "[ . 1 .]" 1
258 1 45 VAL MG1 1 79 CYS QB 3.500 . 4.300 2.749 2.297 3.652 . 0 0 "[ . 1 .]" 1
259 1 45 VAL HA 1 80 ARG H 3.500 . 3.500 3.428 3.320 3.546 0.046 10 0 "[ . 1 .]" 1
260 1 45 VAL MG1 1 80 ARG H 5.000 . 5.500 4.297 4.124 4.478 . 0 0 "[ . 1 .]" 1
261 1 46 TYR HA 1 47 ASP H 2.700 . 2.700 2.197 2.165 2.226 . 0 0 "[ . 1 .]" 1
262 1 46 TYR HA 1 48 ARG H 5.000 . 5.000 3.674 3.602 3.717 . 0 0 "[ . 1 .]" 1
263 1 46 TYR QB 1 48 ARG H 3.500 . 3.800 2.311 2.238 2.428 . 0 0 "[ . 1 .]" 1
264 1 46 TYR QE 1 51 PHE HA 3.500 . 3.800 3.534 3.414 3.642 . 0 0 "[ . 1 .]" 1
265 1 46 TYR QD 1 52 MET H 5.000 . 5.300 2.815 2.599 3.414 . 0 0 "[ . 1 .]" 1
266 1 46 TYR HA 1 55 GLN HA 3.500 . 3.500 2.344 2.201 2.449 . 0 0 "[ . 1 .]" 1
267 1 46 TYR QD 1 55 GLN HA 5.000 . 5.300 3.841 3.432 4.239 . 0 0 "[ . 1 .]" 1
268 1 46 TYR QD 1 55 GLN QG 3.500 . 4.100 2.686 2.259 4.148 0.048 13 0 "[ . 1 .]" 1
269 1 46 TYR QE 1 55 GLN QG 3.500 . 4.100 2.829 2.204 3.958 . 0 0 "[ . 1 .]" 1
270 1 46 TYR HA 1 56 TYR H 3.500 . 3.500 3.561 3.489 3.714 0.214 13 0 "[ . 1 .]" 1
271 1 46 TYR H 1 76 VAL MG1 5.000 . 5.500 2.450 1.967 3.157 . 0 0 "[ . 1 .]" 1
272 1 46 TYR H 1 78 SER H 3.500 . 3.800 3.272 3.186 3.350 . 0 0 "[ . 1 .]" 1
273 1 46 TYR H 1 79 CYS HA 3.500 . 3.500 2.808 2.681 3.032 . 0 0 "[ . 1 .]" 1
274 1 46 TYR QE 1 79 CYS HA 5.000 . 5.300 3.799 2.854 4.064 . 0 0 "[ . 1 .]" 1
275 1 46 TYR QD 1 79 CYS HA 5.000 . 5.300 2.299 2.221 2.352 . 0 0 "[ . 1 .]" 1
276 1 46 TYR QE 1 80 ARG H 3.500 . 3.800 3.250 2.244 3.684 . 0 0 "[ . 1 .]" 1
277 1 46 TYR H 1 80 ARG H 6.000 . 6.000 4.757 4.564 4.946 . 0 0 "[ . 1 .]" 1
278 1 47 ASP H 1 48 ARG H 2.700 . 2.700 2.542 2.472 2.599 . 0 0 "[ . 1 .]" 1
279 1 47 ASP HA 1 48 ARG H 3.500 . 3.500 3.377 3.346 3.414 . 0 0 "[ . 1 .]" 1
280 1 47 ASP H 1 52 MET H 5.000 . 5.000 5.071 5.023 5.123 0.123 15 0 "[ . 1 .]" 1
281 1 47 ASP H 1 54 ARG H 3.500 . 3.500 3.552 3.512 3.631 0.131 13 0 "[ . 1 .]" 1
282 1 47 ASP H 1 53 GLY QA 3.500 . 3.800 3.495 3.375 3.626 . 0 0 "[ . 1 .]" 1
283 1 47 ASP H 1 55 GLN HA 3.500 . 3.500 3.411 3.055 3.517 0.017 14 0 "[ . 1 .]" 1
284 1 47 ASP QB 1 56 TYR QE 5.000 . 5.600 3.347 2.975 4.132 . 0 0 "[ . 1 .]" 1
285 1 47 ASP HA 1 72 MET ME 3.500 . 4.000 2.635 2.332 3.179 . 0 0 "[ . 1 .]" 1
286 1 47 ASP QB 1 72 MET ME 3.500 . 4.300 2.155 2.027 2.437 . 0 0 "[ . 1 .]" 1
287 1 47 ASP HA 1 76 VAL HA 3.500 . 3.500 2.396 2.179 2.601 . 0 0 "[ . 1 .]" 1
288 1 47 ASP HA 1 77 ARG H 3.500 . 3.500 2.940 2.798 3.089 . 0 0 "[ . 1 .]" 1
289 1 47 ASP HA 1 78 SER H 5.000 . 5.000 4.389 4.247 4.549 . 0 0 "[ . 1 .]" 1
290 1 48 ARG H 1 49 THR H 5.000 . 5.000 4.441 4.420 4.462 . 0 0 "[ . 1 .]" 1
291 1 48 ARG HA 1 49 THR H 2.700 . 2.700 2.366 2.307 2.463 . 0 0 "[ . 1 .]" 1
292 1 48 ARG H 1 52 MET H 3.500 . 3.500 3.490 3.433 3.533 0.033 2 0 "[ . 1 .]" 1
293 1 48 ARG H 1 53 GLY QA 3.500 . 3.800 2.997 2.801 3.110 . 0 0 "[ . 1 .]" 1
294 1 48 ARG QD 1 53 GLY QA 3.500 . 4.100 3.278 2.154 3.919 . 0 0 "[ . 1 .]" 1
295 1 48 ARG H 1 54 ARG H 5.000 . 5.000 4.522 4.421 4.672 . 0 0 "[ . 1 .]" 1
296 1 48 ARG H 1 77 ARG H 5.000 . 5.000 3.727 3.552 3.870 . 0 0 "[ . 1 .]" 1
297 1 49 THR HA 1 50 ASN H 2.700 . 2.700 2.352 2.292 2.413 . 0 0 "[ . 1 .]" 1
298 1 49 THR HB 1 50 ASN H 3.500 . 3.500 2.621 2.485 2.815 . 0 0 "[ . 1 .]" 1
299 1 49 THR HA 1 51 PHE H 5.000 . 5.000 3.550 3.450 3.648 . 0 0 "[ . 1 .]" 1
300 1 49 THR H 1 52 MET H 5.000 . 5.000 4.934 4.805 5.025 0.025 2 0 "[ . 1 .]" 1
301 1 49 THR H 1 77 ARG H 5.000 . 5.000 5.147 5.082 5.237 0.237 4 0 "[ . 1 .]" 1
302 1 49 THR HA 1 78 SER HA 3.500 . 3.500 3.422 3.277 3.512 0.012 1 0 "[ . 1 .]" 1
303 1 49 THR MG 1 78 SER H 5.000 . 5.500 4.634 4.488 4.757 . 0 0 "[ . 1 .]" 1
304 1 49 THR HA 1 79 CYS H 5.000 . 5.000 5.156 5.093 5.223 0.223 4 0 "[ . 1 .]" 1
305 1 50 ASN H 1 51 PHE H 3.500 . 3.500 2.646 2.533 2.698 . 0 0 "[ . 1 .]" 1
306 1 50 ASN HA 1 51 PHE H 3.500 . 3.500 2.896 2.822 2.933 . 0 0 "[ . 1 .]" 1
307 1 50 ASN H 1 52 MET H 5.000 . 5.000 4.774 4.625 4.859 . 0 0 "[ . 1 .]" 1
308 1 50 ASN H 1 78 SER QB 3.500 . 3.800 2.111 1.924 2.829 . 0 0 "[ . 1 .]" 1
309 1 50 ASN HA 1 78 SER QB 3.500 . 3.800 3.651 3.444 3.916 0.116 15 0 "[ . 1 .]" 1
310 1 51 PHE H 1 52 MET H 2.700 . 2.700 2.946 2.907 2.985 0.285 4 0 "[ . 1 .]" 1
311 1 51 PHE HA 1 52 MET H 3.500 . 3.500 2.642 2.591 2.692 . 0 0 "[ . 1 .]" 1
312 1 51 PHE H 1 78 SER QB 3.500 . 3.800 2.006 1.778 2.270 0.022 4 0 "[ . 1 .]" 1
313 1 51 PHE HA 1 78 SER QB 3.500 . 3.800 3.250 2.722 3.565 . 0 0 "[ . 1 .]" 1
314 1 51 PHE H 1 79 CYS H 6.000 . 6.000 4.117 3.936 4.311 . 0 0 "[ . 1 .]" 1
315 1 51 PHE QD 1 79 CYS H 5.000 . 5.300 3.352 2.950 4.038 . 0 0 "[ . 1 .]" 1
316 1 51 PHE QE 1 79 CYS H 5.000 . 5.300 3.197 2.764 3.694 . 0 0 "[ . 1 .]" 1
317 1 51 PHE QE 1 80 ARG HA 5.000 . 5.300 3.512 2.925 4.356 . 0 0 "[ . 1 .]" 1
318 1 52 MET H 1 53 GLY H 5.000 . 5.000 4.467 4.456 4.482 . 0 0 "[ . 1 .]" 1
319 1 52 MET HA 1 53 GLY H 2.700 . 2.700 2.533 2.458 2.608 . 0 0 "[ . 1 .]" 1
320 1 53 GLY QA 1 54 ARG H 2.700 . 3.000 2.305 2.289 2.335 . 0 0 "[ . 1 .]" 1
321 1 54 ARG HA 1 55 GLN H 2.700 . 2.700 2.171 2.096 2.254 . 0 0 "[ . 1 .]" 1
322 1 54 ARG HA 1 56 TYR QE 5.000 . 5.300 4.693 4.422 5.077 . 0 0 "[ . 1 .]" 1
323 1 54 ARG QB 1 56 TYR QE 3.500 . 4.100 2.276 2.073 2.770 . 0 0 "[ . 1 .]" 1
324 1 54 ARG QD 1 56 TYR QE 3.500 . 4.100 3.268 2.987 3.899 . 0 0 "[ . 1 .]" 1
325 1 54 ARG QB 1 72 MET HA 5.000 . 5.300 5.389 5.335 5.449 0.149 1 0 "[ . 1 .]" 1
326 1 54 ARG QD 1 72 MET HA 5.000 . 5.300 3.940 3.594 4.339 . 0 0 "[ . 1 .]" 1
327 1 55 GLN HA 1 56 TYR H 2.700 . 2.700 2.220 2.192 2.297 . 0 0 "[ . 1 .]" 1
328 1 55 GLN QB 1 145 PHE QE 5.000 . 5.600 5.547 5.293 5.602 0.002 10 0 "[ . 1 .]" 1
329 1 55 GLN QB 1 145 PHE HA 5.000 . 5.300 3.913 3.247 5.019 . 0 0 "[ . 1 .]" 1
330 1 56 TYR HA 1 57 PHE H 2.700 . 2.700 2.213 2.180 2.233 . 0 0 "[ . 1 .]" 1
331 1 56 TYR QB 1 70 MET ME 5.000 . 5.800 2.720 2.150 3.446 . 0 0 "[ . 1 .]" 1
332 1 56 TYR QD 1 70 MET HA 5.000 . 5.300 5.194 4.513 5.322 0.022 10 0 "[ . 1 .]" 1
333 1 56 TYR QE 1 70 MET HA 5.000 . 5.300 4.125 3.317 4.432 . 0 0 "[ . 1 .]" 1
334 1 56 TYR QD 1 70 MET ME 3.500 . 4.300 3.181 2.912 3.534 . 0 0 "[ . 1 .]" 1
335 1 56 TYR QE 1 70 MET ME 3.500 . 4.300 4.203 3.793 4.327 0.027 15 0 "[ . 1 .]" 1
336 1 56 TYR QE 1 72 MET HA 5.000 . 5.300 5.329 5.297 5.365 0.065 15 0 "[ . 1 .]" 1
337 1 56 TYR QE 1 72 MET QB 5.000 . 5.600 4.425 3.581 4.809 . 0 0 "[ . 1 .]" 1
338 1 56 TYR QE 1 72 MET QG 3.500 . 4.100 2.893 2.642 4.099 . 0 0 "[ . 1 .]" 1
339 1 56 TYR QE 1 72 MET ME 2.700 . 3.500 2.743 2.250 3.238 . 0 0 "[ . 1 .]" 1
340 1 56 TYR QD 1 72 MET ME 2.700 . 3.500 3.124 2.493 3.504 0.004 4 0 "[ . 1 .]" 1
341 1 56 TYR HA 1 144 GLN QB 5.000 . 5.300 4.470 3.754 5.284 . 0 0 "[ . 1 .]" 1
342 1 57 PHE HA 1 58 LEU H 2.700 . 2.700 2.229 2.205 2.261 . 0 0 "[ . 1 .]" 1
343 1 57 PHE HA 1 133 LEU MD1 5.000 . 5.500 5.537 5.479 5.614 0.114 5 0 "[ . 1 .]" 1
344 1 57 PHE HA 1 133 LEU MD2 3.500 . 4.000 4.148 4.051 4.203 0.203 12 0 "[ . 1 .]" 1
345 1 57 PHE QB 1 133 LEU MD2 3.500 . 4.300 2.150 2.012 2.460 . 0 0 "[ . 1 .]" 1
346 1 57 PHE QB 1 133 LEU MD1 5.000 . 5.800 3.261 3.172 3.358 . 0 0 "[ . 1 .]" 1
347 1 58 LEU HA 1 59 ARG H 2.700 . 2.700 2.210 2.184 2.263 . 0 0 "[ . 1 .]" 1
348 1 58 LEU MD2 1 63 TYR QD 3.500 . 4.300 3.538 2.755 3.832 . 0 0 "[ . 1 .]" 1
349 1 58 LEU MD2 1 63 TYR QE 3.500 . 4.300 2.964 2.639 3.868 . 0 0 "[ . 1 .]" 1
350 1 58 LEU MD2 1 70 MET ME 2.700 . 3.700 2.324 1.974 3.341 . 0 0 "[ . 1 .]" 1
351 1 59 ARG HA 1 60 ARG H 2.700 . 2.700 2.409 2.341 2.549 . 0 0 "[ . 1 .]" 1
352 1 59 ARG H 1 61 GLY H 6.000 . 6.000 5.990 5.617 6.202 0.202 6 0 "[ . 1 .]" 1
353 1 59 ARG H 1 63 TYR QE 5.000 . 5.000 3.904 3.324 4.335 . 0 0 "[ . 1 .]" 1
354 1 60 ARG HA 1 61 GLY H 2.700 . 2.700 2.181 2.140 2.219 . 0 0 "[ . 1 .]" 1
355 1 60 ARG HA 1 63 TYR QE 5.000 . 5.300 5.292 5.107 5.362 0.062 15 0 "[ . 1 .]" 1
356 1 61 GLY QA 1 62 GLU H 2.700 . 3.000 2.285 2.237 2.315 . 0 0 "[ . 1 .]" 1
357 1 62 GLU HA 1 63 TYR H 2.700 . 2.700 2.194 2.178 2.212 . 0 0 "[ . 1 .]" 1
358 1 62 GLU HA 1 63 TYR QD 3.500 . 3.800 3.478 3.198 3.696 . 0 0 "[ . 1 .]" 1
359 1 63 TYR H 1 64 PRO QD 3.500 . 3.800 3.792 3.505 3.875 0.075 7 0 "[ . 1 .]" 1
360 1 63 TYR HA 1 64 PRO QD 2.700 . 3.000 1.986 1.929 2.066 . 0 0 "[ . 1 .]" 1
361 1 63 TYR HA 1 65 ASP H 5.000 . 5.000 3.478 3.326 3.615 . 0 0 "[ . 1 .]" 1
362 1 63 TYR QD 1 69 THR MG 5.000 . 5.800 4.841 4.669 5.183 . 0 0 "[ . 1 .]" 1
363 1 63 TYR QE 1 69 THR MG 5.000 . 5.800 5.604 5.256 5.884 0.084 4 0 "[ . 1 .]" 1
364 1 63 TYR QD 1 70 MET ME 3.500 . 4.300 3.777 3.357 4.327 0.027 14 0 "[ . 1 .]" 1
365 1 63 TYR QE 1 70 MET ME 3.500 . 4.300 3.587 3.171 4.273 . 0 0 "[ . 1 .]" 1
366 1 64 PRO QD 1 65 ASP H 3.500 . 3.800 2.743 2.639 2.974 . 0 0 "[ . 1 .]" 1
367 1 65 ASP HA 1 66 TYR H 2.700 . 2.700 2.318 2.284 2.361 . 0 0 "[ . 1 .]" 1
368 1 65 ASP H 1 66 TYR H 5.000 . 5.000 4.201 4.099 4.259 . 0 0 "[ . 1 .]" 1
369 1 65 ASP H 1 69 THR MG 5.000 . 5.500 5.094 4.221 5.553 0.053 11 0 "[ . 1 .]" 1
370 1 65 ASP QB 1 67 MET H 3.500 . 3.800 3.604 3.280 3.894 0.094 8 0 "[ . 1 .]" 1
371 1 66 TYR H 1 67 MET H 3.500 . 3.500 2.133 1.759 2.448 0.041 5 0 "[ . 1 .]" 1
372 1 66 TYR HA 1 69 THR MG 5.000 . 5.500 3.390 2.364 3.908 . 0 0 "[ . 1 .]" 1
373 1 66 TYR HA 1 69 THR HB 5.000 . 5.000 3.129 2.229 4.507 . 0 0 "[ . 1 .]" 1
374 1 66 TYR HA 1 69 THR H 3.500 . 3.500 3.236 2.872 3.437 . 0 0 "[ . 1 .]" 1
375 1 66 TYR HA 1 70 MET H 3.500 . 3.500 3.572 3.261 3.752 0.252 15 0 "[ . 1 .]" 1
376 1 66 TYR QE 1 67 MET ME 3.500 . 4.300 3.769 3.132 4.264 . 0 0 "[ . 1 .]" 1
377 1 66 TYR QD 1 72 MET ME 5.000 . 5.800 4.179 3.536 4.817 . 0 0 "[ . 1 .]" 1
378 1 67 MET H 1 68 ARG H 3.500 . 3.500 2.342 2.181 2.786 . 0 0 "[ . 1 .]" 1
379 1 67 MET HA 1 69 THR H 5.000 . 5.000 4.427 4.339 4.529 . 0 0 "[ . 1 .]" 1
380 1 67 MET HA 1 71 GLY H 5.000 . 5.000 4.039 3.868 4.192 . 0 0 "[ . 1 .]" 1
381 1 67 MET HA 1 72 MET H 3.500 . 3.500 3.324 3.070 3.483 . 0 0 "[ . 1 .]" 1
382 1 67 MET HA 1 72 MET QB 3.500 . 3.800 3.382 3.072 3.570 . 0 0 "[ . 1 .]" 1
383 1 67 MET QG 1 72 MET H 5.000 . 5.300 5.102 3.956 5.353 0.053 6 0 "[ . 1 .]" 1
384 1 67 MET HA 1 74 ASP H 5.000 . 5.000 4.765 4.602 4.963 . 0 0 "[ . 1 .]" 1
385 1 67 MET ME 1 74 ASP HA 2.700 . 3.200 2.640 2.277 2.948 . 0 0 "[ . 1 .]" 1
386 1 67 MET ME 1 75 CYS HA 2.700 . 3.200 3.124 2.416 3.236 0.036 11 0 "[ . 1 .]" 1
387 1 68 ARG H 1 69 THR H 2.700 . 2.700 2.137 2.023 2.290 . 0 0 "[ . 1 .]" 1
388 1 68 ARG HA 1 71 GLY H 3.500 . 3.500 3.315 3.134 3.447 . 0 0 "[ . 1 .]" 1
389 1 69 THR H 1 70 MET H 2.700 . 2.700 2.374 2.270 2.483 . 0 0 "[ . 1 .]" 1
390 1 69 THR H 1 71 GLY H 5.000 . 5.000 3.741 3.601 3.923 . 0 0 "[ . 1 .]" 1
391 1 70 MET H 1 71 GLY H 2.700 . 2.700 1.956 1.841 2.166 . 0 0 "[ . 1 .]" 1
392 1 70 MET H 1 72 MET H 5.000 . 5.000 4.087 3.960 4.220 . 0 0 "[ . 1 .]" 1
393 1 71 GLY H 1 72 MET H 2.700 . 2.700 2.587 2.346 2.658 . 0 0 "[ . 1 .]" 1
394 1 71 GLY QA 1 72 MET H 3.500 . 3.800 2.656 2.569 2.731 . 0 0 "[ . 1 .]" 1
395 1 72 MET HA 1 73 ASN H 2.700 . 2.700 2.332 2.248 2.714 0.014 1 0 "[ . 1 .]" 1
396 1 72 MET ME 1 76 VAL HA 3.500 . 4.000 3.124 2.923 3.436 . 0 0 "[ . 1 .]" 1
397 1 72 MET ME 1 76 VAL MG2 3.500 . 4.500 3.519 2.738 4.518 0.018 1 0 "[ . 1 .]" 1
398 1 72 MET ME 1 76 VAL MG1 3.500 . 4.500 3.293 2.235 4.014 . 0 0 "[ . 1 .]" 1
399 1 73 ASN H 1 74 ASP H 3.500 2.600 3.500 3.310 2.834 3.467 . 0 0 "[ . 1 .]" 1
400 1 73 ASN HA 1 74 ASP H 2.700 . 2.700 2.657 2.595 2.724 0.024 11 0 "[ . 1 .]" 1
401 1 74 ASP H 1 75 CYS H 5.000 . 5.000 4.357 4.347 4.366 . 0 0 "[ . 1 .]" 1
402 1 74 ASP HA 1 75 CYS H 2.700 . 2.700 2.723 2.676 2.753 0.053 12 0 "[ . 1 .]" 1
403 1 74 ASP QB 1 75 CYS H 3.500 . 3.800 1.856 1.805 1.914 . 0 0 "[ . 1 .]" 1
404 1 75 CYS H 1 76 VAL H 5.000 . 5.000 4.375 4.310 4.442 . 0 0 "[ . 1 .]" 1
405 1 75 CYS HA 1 76 VAL H 2.700 . 2.700 2.685 2.584 2.774 0.074 3 0 "[ . 1 .]" 1
406 1 76 VAL H 1 77 ARG H 5.000 . 5.000 4.670 4.621 4.702 . 0 0 "[ . 1 .]" 1
407 1 76 VAL HA 1 77 ARG H 2.700 . 2.700 2.328 2.305 2.353 . 0 0 "[ . 1 .]" 1
408 1 76 VAL HA 1 78 SER H 3.500 . 3.500 3.713 3.671 3.750 0.250 10 0 "[ . 1 .]" 1
409 1 76 VAL MG1 1 78 SER H 3.500 . 4.000 2.688 1.756 4.060 0.060 6 0 "[ . 1 .]" 1
410 1 77 ARG H 1 78 SER H 2.700 . 2.700 1.983 1.892 2.043 . 0 0 "[ . 1 .]" 1
411 1 78 SER HA 1 79 CYS H 2.700 . 2.700 2.401 2.320 2.497 . 0 0 "[ . 1 .]" 1
412 1 78 SER QB 1 79 CYS H 2.700 . 3.000 2.860 2.344 3.051 0.051 3 0 "[ . 1 .]" 1
413 1 79 CYS HA 1 80 ARG H 2.700 . 2.700 2.249 2.209 2.334 . 0 0 "[ . 1 .]" 1
414 1 80 ARG HA 1 81 MET H 2.700 . 2.700 2.253 2.216 2.272 . 0 0 "[ . 1 .]" 1
415 1 81 MET HA 1 82 ILE H 2.700 . 2.700 2.328 2.239 2.416 . 0 0 "[ . 1 .]" 1
416 1 82 ILE HA 1 83 PRO QD 2.700 . 3.000 2.029 2.001 2.116 . 0 0 "[ . 1 .]" 1
417 1 82 ILE MD 1 146 TYR QE 3.500 . 4.300 2.972 2.145 4.286 . 0 0 "[ . 1 .]" 1
418 1 82 ILE MD 1 146 TYR QD 5.000 . 5.800 3.925 3.308 4.997 . 0 0 "[ . 1 .]" 1
419 1 82 ILE MG 1 146 TYR QD 5.000 . 5.800 4.991 4.370 5.808 0.008 1 0 "[ . 1 .]" 1
420 1 82 ILE MG 1 146 TYR QE 3.500 . 4.300 3.355 2.939 4.031 . 0 0 "[ . 1 .]" 1
421 1 83 PRO HA 1 84 LEU H 2.700 . 2.700 2.392 2.283 2.618 . 0 0 "[ . 1 .]" 1
422 1 84 LEU H 1 85 HIS H 3.500 . 3.500 3.391 3.178 3.598 0.098 2 0 "[ . 1 .]" 1
423 1 84 LEU HA 1 85 HIS H 2.700 . 2.700 2.702 2.499 2.778 0.078 4 0 "[ . 1 .]" 1
424 1 86 HIS HD2 1 130 GLY H 5.000 . 5.000 4.817 3.149 5.192 0.192 5 0 "[ . 1 .]" 1
425 1 86 HIS HA 1 87 GLY H 2.700 . 2.700 2.427 2.195 2.840 0.140 14 0 "[ . 1 .]" 1
426 1 87 GLY H 1 88 SER H 3.500 . 3.500 3.065 2.746 3.292 . 0 0 "[ . 1 .]" 1
427 1 87 GLY QA 1 88 SER H 2.700 . 3.000 2.329 2.159 2.527 . 0 0 "[ . 1 .]" 1
428 1 88 SER H 1 89 PHE H 5.000 . 5.000 4.463 4.179 4.529 . 0 0 "[ . 1 .]" 1
429 1 88 SER HA 1 89 PHE H 2.700 . 2.700 2.355 2.095 2.694 . 0 0 "[ . 1 .]" 1
430 1 88 SER QB 1 89 PHE H 2.700 . 3.000 2.677 1.904 3.317 0.317 10 0 "[ . 1 .]" 1
431 1 88 SER QB 1 107 MET ME 3.500 . 4.300 3.949 3.212 4.328 0.028 9 0 "[ . 1 .]" 1
432 1 89 PHE H 1 90 LYS H 5.000 . 5.000 4.331 4.263 4.430 . 0 0 "[ . 1 .]" 1
433 1 89 PHE HA 1 90 LYS H 2.700 . 2.700 2.183 2.161 2.219 . 0 0 "[ . 1 .]" 1
434 1 89 PHE HZ 1 131 HIS H 2.700 . 2.700 2.746 2.574 2.874 0.174 6 0 "[ . 1 .]" 1
435 1 89 PHE HA 1 132 TRP HZ2 3.500 . 3.500 3.499 3.397 3.563 0.063 9 0 "[ . 1 .]" 1
436 1 89 PHE HA 1 132 TRP HE1 3.500 . 3.500 2.797 2.460 3.048 . 0 0 "[ . 1 .]" 1
437 1 89 PHE QD 1 132 TRP HE1 3.500 . 3.800 2.845 2.257 3.503 . 0 0 "[ . 1 .]" 1
438 1 89 PHE QE 1 170 ARG HA 5.000 . 5.300 3.783 3.200 4.211 . 0 0 "[ . 1 .]" 1
439 1 90 LYS HA 1 91 MET H 2.700 . 2.700 2.226 2.204 2.251 . 0 0 "[ . 1 .]" 1
440 1 90 LYS H 1 128 MET H 5.000 . 5.000 3.673 3.457 3.925 . 0 0 "[ . 1 .]" 1
441 1 90 LYS H 1 129 ASP H 3.500 . 3.500 3.369 3.214 3.497 . 0 0 "[ . 1 .]" 1
442 1 90 LYS H 1 132 TRP HZ2 3.500 . 3.500 2.815 2.477 3.199 . 0 0 "[ . 1 .]" 1
443 1 91 MET HA 1 92 ARG H 2.700 . 2.700 2.182 2.163 2.196 . 0 0 "[ . 1 .]" 1
444 1 91 MET ME 1 93 LEU MD1 5.000 . 6.000 4.297 3.051 4.671 . 0 0 "[ . 1 .]" 1
445 1 91 MET H 1 105 GLU HA 5.000 . 5.000 4.929 4.861 5.001 0.001 9 0 "[ . 1 .]" 1
446 1 91 MET H 1 106 LEU H 3.500 . 3.500 3.104 3.008 3.265 . 0 0 "[ . 1 .]" 1
447 1 91 MET ME 1 106 LEU MD1 5.000 . 6.000 4.663 2.996 5.725 . 0 0 "[ . 1 .]" 1
448 1 91 MET H 1 107 MET HA 5.000 . 5.000 3.213 2.765 3.479 . 0 0 "[ . 1 .]" 1
449 1 91 MET HA 1 127 VAL HA 3.500 . 3.500 2.558 2.448 2.717 . 0 0 "[ . 1 .]" 1
450 1 91 MET HA 1 127 VAL MG1 3.500 . 4.000 3.944 3.847 4.022 0.022 3 0 "[ . 1 .]" 1
451 1 91 MET HA 1 127 VAL MG2 5.000 . 5.500 3.455 3.341 3.558 . 0 0 "[ . 1 .]" 1
452 1 91 MET HA 1 128 MET H 3.500 . 3.500 3.285 3.102 3.421 . 0 0 "[ . 1 .]" 1
453 1 91 MET H 1 132 TRP HZ2 3.500 . 3.500 3.508 3.245 3.627 0.127 9 0 "[ . 1 .]" 1
454 1 91 MET ME 1 132 TRP HD1 5.000 . 5.500 3.983 3.538 5.199 . 0 0 "[ . 1 .]" 1
455 1 91 MET ME 1 132 TRP HE3 5.000 . 5.500 2.579 2.298 3.005 . 0 0 "[ . 1 .]" 1
456 1 91 MET ME 1 132 TRP HH2 5.000 . 5.500 5.150 4.951 5.412 . 0 0 "[ . 1 .]" 1
457 1 91 MET ME 1 165 MET ME 5.000 . 6.000 5.795 5.320 6.031 0.031 6 0 "[ . 1 .]" 1
458 1 92 ARG HA 1 93 LEU H 2.700 . 2.700 2.163 2.148 2.179 . 0 0 "[ . 1 .]" 1
459 1 92 ARG HA 1 104 MET H 5.000 . 5.000 5.063 4.996 5.095 0.095 7 0 "[ . 1 .]" 1
460 1 92 ARG H 1 126 HIS H 3.500 . 3.500 2.899 2.758 2.986 . 0 0 "[ . 1 .]" 1
461 1 92 ARG H 1 127 VAL HA 3.500 . 3.500 3.435 3.363 3.514 0.014 10 0 "[ . 1 .]" 1
462 1 92 ARG H 1 127 VAL MG1 5.000 . 5.500 5.260 5.198 5.321 . 0 0 "[ . 1 .]" 1
463 1 92 ARG H 1 127 VAL MG2 3.500 . 4.000 4.184 4.164 4.221 0.221 8 0 "[ . 1 .]" 1
464 1 92 ARG H 1 128 MET H 5.000 . 5.000 4.219 4.082 4.435 . 0 0 "[ . 1 .]" 1
465 1 93 LEU HA 1 94 TYR H 2.700 . 2.700 2.177 2.145 2.222 . 0 0 "[ . 1 .]" 1
466 1 93 LEU MD1 1 104 MET H 3.500 . 4.000 4.240 4.207 4.258 0.258 1 0 "[ . 1 .]" 1
467 1 93 LEU MD2 1 104 MET H 5.000 . 5.500 5.026 4.929 5.086 . 0 0 "[ . 1 .]" 1
468 1 93 LEU MD1 1 104 MET ME 3.500 . 4.500 4.084 3.708 4.487 . 0 0 "[ . 1 .]" 1
469 1 93 LEU H 1 105 GLU HA 3.500 . 3.500 3.103 2.878 3.466 . 0 0 "[ . 1 .]" 1
470 1 93 LEU MD1 1 105 GLU HA 5.000 . 5.500 4.272 4.028 4.678 . 0 0 "[ . 1 .]" 1
471 1 93 LEU MD1 1 106 LEU H 3.500 . 4.000 4.004 3.962 4.038 0.038 15 0 "[ . 1 .]" 1
472 1 93 LEU MD1 1 106 LEU MD1 3.500 . 4.500 2.954 2.249 4.218 . 0 0 "[ . 1 .]" 1
473 1 93 LEU MD1 1 106 LEU MD2 3.500 . 4.500 3.922 2.839 4.528 0.028 4 0 "[ . 1 .]" 1
474 1 93 LEU MD1 1 117 PHE QE 3.500 . 4.300 3.172 2.237 3.965 . 0 0 "[ . 1 .]" 1
475 1 93 LEU MD1 1 117 PHE QD 5.000 . 5.800 3.920 3.432 4.469 . 0 0 "[ . 1 .]" 1
476 1 93 LEU MD1 1 122 PHE QE 5.000 . 5.800 3.493 3.163 3.797 . 0 0 "[ . 1 .]" 1
477 1 93 LEU MD2 1 122 PHE QE 5.000 . 5.800 4.121 3.852 4.312 . 0 0 "[ . 1 .]" 1
478 1 93 LEU MD2 1 125 CYS QB 3.500 . 4.300 2.145 1.938 2.696 . 0 0 "[ . 1 .]" 1
479 1 93 LEU MD2 1 124 SER H 3.500 . 4.000 4.243 4.218 4.266 0.266 11 0 "[ . 1 .]" 1
480 1 93 LEU HA 1 125 CYS HA 5.000 . 5.000 2.191 2.150 2.243 . 0 0 "[ . 1 .]" 1
481 1 93 LEU MD2 1 125 CYS HA 3.500 . 4.000 3.123 2.928 3.483 . 0 0 "[ . 1 .]" 1
482 1 93 LEU HA 1 126 HIS H 3.500 . 3.500 3.518 3.482 3.557 0.057 4 0 "[ . 1 .]" 1
483 1 93 LEU MD2 1 126 HIS H 3.500 . 4.000 4.129 4.099 4.167 0.167 2 0 "[ . 1 .]" 1
484 1 94 TYR HA 1 95 GLU H 2.700 . 2.700 2.192 2.172 2.216 . 0 0 "[ . 1 .]" 1
485 1 94 TYR QB 1 96 HIS H 3.500 . 3.800 2.831 2.704 2.919 . 0 0 "[ . 1 .]" 1
486 1 94 TYR HA 1 103 MET HA 3.500 . 3.500 2.396 2.316 2.491 . 0 0 "[ . 1 .]" 1
487 1 94 TYR HA 1 104 MET H 3.500 . 3.500 3.609 3.578 3.638 0.138 15 0 "[ . 1 .]" 1
488 1 94 TYR HA 1 104 MET ME 3.500 . 4.000 3.657 3.324 4.028 0.028 12 0 "[ . 1 .]" 1
489 1 94 TYR H 1 124 SER H 3.500 . 3.500 3.530 3.390 3.594 0.094 3 0 "[ . 1 .]" 1
490 1 94 TYR H 1 125 CYS HA 3.500 . 3.500 2.909 2.723 3.094 . 0 0 "[ . 1 .]" 1
491 1 95 GLU H 1 96 HIS H 3.500 . 3.500 2.826 2.796 2.861 . 0 0 "[ . 1 .]" 1
492 1 95 GLU HA 1 96 HIS H 3.500 . 3.500 3.534 3.515 3.550 0.050 14 0 "[ . 1 .]" 1
493 1 95 GLU QB 1 101 GLY QA 5.000 . 5.600 1.936 1.837 2.231 . 0 0 "[ . 1 .]" 1
494 1 95 GLU QG 1 101 GLY QA 5.000 . 5.600 3.539 2.957 3.792 . 0 0 "[ . 1 .]" 1
495 1 95 GLU H 1 102 ARG H 3.500 . 3.500 2.878 2.402 3.313 . 0 0 "[ . 1 .]" 1
496 1 95 GLU H 1 103 MET HA 5.000 . 5.000 3.668 3.477 3.876 . 0 0 "[ . 1 .]" 1
497 1 95 GLU HA 1 119 MET ME 2.700 . 3.200 3.026 2.217 3.252 0.052 13 0 "[ . 1 .]" 1
498 1 95 GLU HA 1 123 HIS H 3.500 . 3.500 2.889 2.811 2.984 . 0 0 "[ . 1 .]" 1
499 1 96 HIS H 1 97 SER H 5.000 . 5.000 4.589 4.568 4.606 . 0 0 "[ . 1 .]" 1
500 1 96 HIS HA 1 97 SER H 2.700 . 2.700 2.415 2.368 2.450 . 0 0 "[ . 1 .]" 1
501 1 96 HIS H 1 100 GLY H 5.000 . 5.000 3.699 3.437 3.895 . 0 0 "[ . 1 .]" 1
502 1 96 HIS QB 1 100 GLY H 3.500 . 3.800 2.932 2.737 3.093 . 0 0 "[ . 1 .]" 1
503 1 96 HIS H 1 101 GLY QA 3.500 . 3.800 2.269 1.918 2.922 . 0 0 "[ . 1 .]" 1
504 1 96 HIS HD2 1 101 GLY QA 3.500 . 3.800 2.848 2.237 3.766 . 0 0 "[ . 1 .]" 1
505 1 96 HIS H 1 102 ARG H 5.000 . 5.000 4.082 3.830 4.408 . 0 0 "[ . 1 .]" 1
506 1 96 HIS HA 1 122 PHE HA 5.000 . 5.000 5.089 5.051 5.137 0.137 7 0 "[ . 1 .]" 1
507 1 96 HIS HA 1 123 HIS H 5.000 . 5.000 3.375 3.336 3.415 . 0 0 "[ . 1 .]" 1
508 1 96 HIS HA 1 123 HIS HA 5.000 . 5.000 5.117 5.097 5.148 0.148 11 0 "[ . 1 .]" 1
509 1 97 SER HA 1 98 ASP H 2.700 . 2.700 2.418 2.385 2.451 . 0 0 "[ . 1 .]" 1
510 1 97 SER QB 1 98 ASP H 2.700 . 3.000 2.665 2.596 3.100 0.100 3 0 "[ . 1 .]" 1
511 1 97 SER HA 1 99 MET H 5.000 . 5.000 5.013 4.908 5.086 0.086 8 0 "[ . 1 .]" 1
512 1 97 SER HA 1 154 SER HA 3.500 . 3.500 3.398 3.259 3.470 . 0 0 "[ . 1 .]" 1
513 1 98 ASP H 1 99 MET H 5.000 . 5.000 4.122 4.050 4.167 . 0 0 "[ . 1 .]" 1
514 1 98 ASP HA 1 99 MET H 3.500 . 3.500 3.455 3.416 3.484 . 0 0 "[ . 1 .]" 1
515 1 98 ASP H 1 124 SER QB 3.500 . 3.800 2.682 2.427 3.726 . 0 0 "[ . 1 .]" 1
516 1 98 ASP H 1 153 ARG HA 3.500 . 3.500 2.194 1.940 2.607 . 0 0 "[ . 1 .]" 1
517 1 99 MET H 1 100 GLY H 3.500 . 3.500 2.004 1.854 2.225 . 0 0 "[ . 1 .]" 1
518 1 99 MET HA 1 100 GLY H 3.500 . 3.500 2.825 2.700 2.910 . 0 0 "[ . 1 .]" 1
519 1 99 MET H 1 124 SER QB 5.000 . 5.300 3.927 3.767 4.126 . 0 0 "[ . 1 .]" 1
520 1 99 MET H 1 153 ARG HA 5.000 . 5.000 5.177 5.105 5.239 0.239 3 0 "[ . 1 .]" 1
521 1 99 MET ME 1 126 HIS HA 3.500 . 4.000 3.851 3.462 4.094 0.094 9 0 "[ . 1 .]" 1
522 1 99 MET ME 1 126 HIS QB 3.500 . 4.300 2.300 2.170 2.497 . 0 0 "[ . 1 .]" 1
523 1 99 MET ME 1 151 GLU HA 3.500 . 4.000 3.199 2.872 3.843 . 0 0 "[ . 1 .]" 1
524 1 99 MET ME 1 153 ARG HA 3.500 . 4.000 3.895 3.721 4.116 0.116 8 0 "[ . 1 .]" 1
525 1 100 GLY H 1 101 GLY H 5.000 . 5.000 4.299 4.195 4.500 . 0 0 "[ . 1 .]" 1
526 1 100 GLY QA 1 101 GLY H 2.700 . 3.000 2.226 2.201 2.261 . 0 0 "[ . 1 .]" 1
527 1 101 GLY QA 1 102 ARG H 2.700 . 3.000 2.289 2.158 2.341 . 0 0 "[ . 1 .]" 1
528 1 102 ARG H 1 103 MET H 5.000 . 5.000 4.598 4.364 4.664 . 0 0 "[ . 1 .]" 1
529 1 102 ARG HA 1 103 MET H 2.700 . 2.700 2.241 2.167 2.305 . 0 0 "[ . 1 .]" 1
530 1 102 ARG HA 1 104 MET ME 3.500 . 4.000 3.961 3.668 4.093 0.093 2 0 "[ . 1 .]" 1
531 1 102 ARG QD 1 104 MET ME 3.500 . 4.300 3.640 3.028 4.280 . 0 0 "[ . 1 .]" 1
532 1 103 MET HA 1 104 MET H 2.700 . 2.700 2.207 2.178 2.230 . 0 0 "[ . 1 .]" 1
533 1 103 MET HA 1 104 MET ME 3.500 . 4.000 3.394 2.877 3.960 . 0 0 "[ . 1 .]" 1
534 1 104 MET HA 1 105 GLU H 2.700 . 2.700 2.233 2.210 2.262 . 0 0 "[ . 1 .]" 1
535 1 104 MET QB 1 117 PHE QE 3.500 . 4.100 2.943 2.597 3.511 . 0 0 "[ . 1 .]" 1
536 1 104 MET ME 1 117 PHE QE 5.000 . 5.800 5.130 4.693 5.769 . 0 0 "[ . 1 .]" 1
537 1 104 MET ME 1 117 PHE QD 5.000 . 5.800 4.364 3.683 4.626 . 0 0 "[ . 1 .]" 1
538 1 104 MET ME 1 122 PHE QE 3.500 . 4.300 2.720 2.238 3.303 . 0 0 "[ . 1 .]" 1
539 1 104 MET ME 1 122 PHE QD 5.000 . 5.800 2.393 2.063 2.828 . 0 0 "[ . 1 .]" 1
540 1 105 GLU HA 1 106 LEU H 2.700 . 2.700 2.201 2.182 2.224 . 0 0 "[ . 1 .]" 1
541 1 106 LEU H 1 107 MET H 5.000 . 5.000 4.218 4.196 4.248 . 0 0 "[ . 1 .]" 1
542 1 106 LEU HA 1 107 MET H 2.700 . 2.700 2.182 2.163 2.207 . 0 0 "[ . 1 .]" 1
543 1 106 LEU HA 1 108 ASP H 3.500 . 3.500 3.514 3.460 3.581 0.081 14 0 "[ . 1 .]" 1
544 1 106 LEU QB 1 108 ASP H 5.000 . 5.300 4.124 3.842 4.727 . 0 0 "[ . 1 .]" 1
545 1 106 LEU MD1 1 110 CYS HA 3.500 . 4.000 3.803 3.282 4.175 0.175 4 0 "[ . 1 .]" 1
546 1 106 LEU MD2 1 110 CYS HA 3.500 . 4.000 4.057 3.901 4.178 0.178 13 0 "[ . 1 .]" 1
547 1 106 LEU MD1 1 117 PHE QE 3.500 . 4.300 2.978 2.188 4.330 0.030 13 0 "[ . 1 .]" 1
548 1 106 LEU MD2 1 117 PHE QE 3.500 . 4.300 4.357 4.212 4.394 0.094 1 0 "[ . 1 .]" 1
549 1 106 LEU MD1 1 132 TRP HZ3 5.000 . 5.500 3.720 2.299 4.640 . 0 0 "[ . 1 .]" 1
550 1 106 LEU MD1 1 132 TRP HH2 5.000 . 5.500 4.744 3.378 5.287 . 0 0 "[ . 1 .]" 1
551 1 106 LEU MD2 1 132 TRP HZ3 5.000 . 5.500 2.238 2.064 2.610 . 0 0 "[ . 1 .]" 1
552 1 106 LEU MD2 1 132 TRP HH2 5.000 . 5.500 2.941 2.394 4.049 . 0 0 "[ . 1 .]" 1
553 1 106 LEU MD1 1 168 ILE HB 3.500 . 4.000 3.509 2.642 4.099 0.099 15 0 "[ . 1 .]" 1
554 1 106 LEU MD2 1 168 ILE HB 3.500 . 4.000 3.438 2.359 4.058 0.058 12 0 "[ . 1 .]" 1
555 1 107 MET H 1 108 ASP H 2.700 . 2.700 2.116 1.823 2.326 . 0 0 "[ . 1 .]" 1
556 1 107 MET HA 1 108 ASP H 3.500 . 3.500 3.212 2.989 3.446 . 0 0 "[ . 1 .]" 1
557 1 107 MET HA 1 132 TRP HZ2 3.500 . 3.500 3.002 2.468 3.190 . 0 0 "[ . 1 .]" 1
558 1 107 MET HA 1 132 TRP HH2 3.500 . 3.500 2.537 2.282 2.993 . 0 0 "[ . 1 .]" 1
559 1 108 ASP HA 1 109 ASP H 2.700 . 2.700 2.767 2.704 2.823 0.123 15 0 "[ . 1 .]" 1
560 1 108 ASP HA 1 132 TRP HH2 5.000 . 5.000 3.813 3.515 4.567 . 0 0 "[ . 1 .]" 1
561 1 109 ASP HA 1 110 CYS H 2.700 . 2.700 2.231 2.203 2.259 . 0 0 "[ . 1 .]" 1
562 1 109 ASP HA 1 169 ARG HA 3.500 . 3.500 3.160 2.860 3.340 . 0 0 "[ . 1 .]" 1
563 1 109 ASP HA 1 170 ARG H 3.500 . 3.500 3.265 2.878 3.456 . 0 0 "[ . 1 .]" 1
564 1 110 CYS H 1 111 PRO QD 5.000 . 5.300 3.476 3.202 3.746 . 0 0 "[ . 1 .]" 1
565 1 110 CYS HA 1 111 PRO QD 2.700 . 3.000 2.108 2.057 2.163 . 0 0 "[ . 1 .]" 1
566 1 110 CYS HA 1 112 ASN H 3.500 . 3.500 3.512 3.411 3.572 0.072 1 0 "[ . 1 .]" 1
567 1 110 CYS H 1 168 ILE H 3.500 . 3.500 3.471 3.349 3.549 0.049 13 0 "[ . 1 .]" 1
568 1 110 CYS H 1 168 ILE MG 5.000 . 5.500 3.903 3.758 4.024 . 0 0 "[ . 1 .]" 1
569 1 110 CYS H 1 169 ARG HA 3.500 . 3.500 3.524 3.369 3.576 0.076 3 0 "[ . 1 .]" 1
570 1 111 PRO QD 1 112 ASN H 3.500 . 3.800 2.385 2.239 2.534 . 0 0 "[ . 1 .]" 1
571 1 111 PRO HA 1 168 ILE H 3.500 . 3.500 3.088 2.505 3.359 . 0 0 "[ . 1 .]" 1
572 1 112 ASN H 1 113 LEU H 3.500 . 3.500 3.558 3.453 3.623 0.123 5 0 "[ . 1 .]" 1
573 1 112 ASN HA 1 113 LEU H 2.700 . 2.700 2.392 2.324 2.483 . 0 0 "[ . 1 .]" 1
574 1 112 ASN HA 1 138 PRO HA 5.000 . 5.000 4.167 3.996 4.336 . 0 0 "[ . 1 .]" 1
575 1 112 ASN H 1 168 ILE H 5.000 . 5.000 5.203 5.139 5.241 0.241 3 0 "[ . 1 .]" 1
576 1 113 LEU H 1 114 MET H 2.700 . 2.700 2.570 2.517 2.672 . 0 0 "[ . 1 .]" 1
577 1 113 LEU H 1 115 ASP H 5.000 . 5.000 4.420 4.227 4.619 . 0 0 "[ . 1 .]" 1
578 1 113 LEU HA 1 116 ARG H 3.500 . 3.500 2.946 2.869 3.063 . 0 0 "[ . 1 .]" 1
579 1 113 LEU MD2 1 116 ARG H 3.500 . 4.000 4.141 4.102 4.242 0.242 3 0 "[ . 1 .]" 1
580 1 113 LEU MD2 1 117 PHE H 3.500 . 4.000 3.373 3.219 3.750 . 0 0 "[ . 1 .]" 1
581 1 113 LEU MD2 1 117 PHE QD 3.500 . 4.300 2.158 1.963 2.761 . 0 0 "[ . 1 .]" 1
582 1 113 LEU MD2 1 117 PHE QE 3.500 . 4.300 2.469 2.035 3.010 . 0 0 "[ . 1 .]" 1
583 1 113 LEU MD1 1 120 SER HA 3.500 . 4.000 3.848 3.262 4.050 0.050 15 0 "[ . 1 .]" 1
584 1 113 LEU MD2 1 120 SER HA 5.000 . 5.500 4.818 4.265 5.397 . 0 0 "[ . 1 .]" 1
585 1 113 LEU MD1 1 122 PHE QE 3.500 . 4.300 2.728 2.456 2.975 . 0 0 "[ . 1 .]" 1
586 1 113 LEU MD1 1 122 PHE QD 5.000 . 5.800 4.344 4.008 4.828 . 0 0 "[ . 1 .]" 1
587 1 113 LEU MD2 1 122 PHE QE 5.000 . 5.800 3.577 3.224 4.290 . 0 0 "[ . 1 .]" 1
588 1 113 LEU MD1 1 166 GLY H 3.500 . 4.000 4.114 4.072 4.141 0.141 4 0 "[ . 1 .]" 1
589 1 113 LEU MD1 1 167 SER H 3.500 . 4.000 3.612 3.503 3.719 . 0 0 "[ . 1 .]" 1
590 1 113 LEU MD1 1 167 SER HA 3.500 . 4.000 3.326 3.223 3.521 . 0 0 "[ . 1 .]" 1
591 1 113 LEU MD2 1 167 SER HA 5.000 . 5.500 5.148 4.513 5.397 . 0 0 "[ . 1 .]" 1
592 1 113 LEU MD1 1 168 ILE H 3.500 . 4.000 4.025 3.996 4.056 0.056 4 0 "[ . 1 .]" 1
593 1 113 LEU MD2 1 168 ILE H 5.000 . 5.500 5.383 4.737 5.526 0.026 12 0 "[ . 1 .]" 1
594 1 114 MET H 1 115 ASP H 2.700 . 2.700 2.726 2.698 2.746 0.046 15 0 "[ . 1 .]" 1
595 1 114 MET HA 1 118 ASN H 3.500 . 3.500 3.536 3.363 3.691 0.191 3 0 "[ . 1 .]" 1
596 1 114 MET HA 1 118 ASN HA 3.500 . 3.500 3.028 2.489 3.449 . 0 0 "[ . 1 .]" 1
597 1 114 MET HA 1 119 MET H 3.500 . 3.500 3.071 2.652 3.519 0.019 12 0 "[ . 1 .]" 1
598 1 114 MET H 1 120 SER QB 5.000 . 5.300 4.747 4.099 5.345 0.045 9 0 "[ . 1 .]" 1
599 1 114 MET ME 1 118 ASN HA 3.500 . 4.000 3.297 2.369 4.016 0.016 7 0 "[ . 1 .]" 1
600 1 114 MET ME 1 119 MET HA 3.500 . 4.000 3.688 2.929 4.021 0.021 15 0 "[ . 1 .]" 1
601 1 114 MET ME 1 120 SER QB 3.500 . 4.300 3.314 1.944 4.176 . 0 0 "[ . 1 .]" 1
602 1 115 ASP H 1 116 ARG H 2.700 . 2.700 2.456 2.420 2.496 . 0 0 "[ . 1 .]" 1
603 1 115 ASP HA 1 116 ARG H 3.500 . 3.500 3.507 3.497 3.516 0.016 3 0 "[ . 1 .]" 1
604 1 115 ASP H 1 117 PHE H 5.000 . 5.000 4.762 4.648 4.929 . 0 0 "[ . 1 .]" 1
605 1 116 ARG H 1 117 PHE H 3.500 . 3.500 2.802 2.702 2.924 . 0 0 "[ . 1 .]" 1
606 1 116 ARG HA 1 117 PHE H 3.500 . 3.500 3.578 3.563 3.602 0.102 11 0 "[ . 1 .]" 1
607 1 116 ARG H 1 118 ASN H 3.500 . 3.500 3.399 3.343 3.451 . 0 0 "[ . 1 .]" 1
608 1 117 PHE H 1 118 ASN H 3.500 . 3.500 2.259 2.121 2.482 . 0 0 "[ . 1 .]" 1
609 1 117 PHE QB 1 118 ASN H 3.500 . 3.800 3.438 3.378 3.548 . 0 0 "[ . 1 .]" 1
610 1 117 PHE QB 1 119 MET QG 3.500 . 4.100 2.693 1.942 3.863 . 0 0 "[ . 1 .]" 1
611 1 117 PHE QD 1 119 MET QG 3.500 . 4.100 3.904 3.468 4.210 0.110 11 0 "[ . 1 .]" 1
612 1 118 ASN H 1 119 MET H 3.500 . 3.500 2.624 2.546 2.695 . 0 0 "[ . 1 .]" 1
613 1 118 ASN HA 1 119 MET H 2.700 . 2.700 2.822 2.753 2.868 0.168 3 0 "[ . 1 .]" 1
614 1 119 MET H 1 120 SER H 5.000 . 5.000 4.199 4.121 4.240 . 0 0 "[ . 1 .]" 1
615 1 119 MET HA 1 120 SER QB 5.000 . 5.300 4.198 3.952 4.580 . 0 0 "[ . 1 .]" 1
616 1 119 MET HA 1 120 SER H 2.700 . 2.700 2.183 2.145 2.216 . 0 0 "[ . 1 .]" 1
617 1 119 MET HA 1 121 ASP H 3.500 . 3.500 3.710 3.594 3.786 0.286 12 0 "[ . 1 .]" 1
618 1 119 MET QG 1 122 PHE QD 3.500 . 4.100 3.547 3.106 4.018 . 0 0 "[ . 1 .]" 1
619 1 119 MET QG 1 122 PHE QE 3.500 . 4.100 2.391 2.209 2.662 . 0 0 "[ . 1 .]" 1
620 1 119 MET ME 1 122 PHE HA 3.500 . 4.000 3.432 2.610 3.934 . 0 0 "[ . 1 .]" 1
621 1 119 MET ME 1 122 PHE QB 3.500 . 4.300 3.769 3.017 4.226 . 0 0 "[ . 1 .]" 1
622 1 119 MET ME 1 122 PHE QD 3.500 . 4.300 2.724 2.281 3.670 . 0 0 "[ . 1 .]" 1
623 1 119 MET ME 1 122 PHE QE 3.500 . 4.300 3.091 2.415 4.261 . 0 0 "[ . 1 .]" 1
624 1 120 SER H 1 121 ASP H 2.700 . 2.700 2.214 2.084 2.339 . 0 0 "[ . 1 .]" 1
625 1 120 SER HA 1 121 ASP H 3.500 . 3.500 3.296 3.255 3.340 . 0 0 "[ . 1 .]" 1
626 1 121 ASP HA 1 122 PHE H 2.700 . 2.700 2.248 2.100 2.352 . 0 0 "[ . 1 .]" 1
627 1 121 ASP H 1 121 ASP QB 2.700 . 3.000 2.692 2.593 3.095 0.095 15 0 "[ . 1 .]" 1
628 1 121 ASP HA 1 163 SER HA 5.000 . 5.000 4.283 4.121 4.810 . 0 0 "[ . 1 .]" 1
629 1 121 ASP HA 1 163 SER QB 5.000 . 5.300 2.639 2.249 3.276 . 0 0 "[ . 1 .]" 1
630 1 121 ASP HA 1 164 ARG H 5.000 . 5.000 4.653 4.538 4.806 . 0 0 "[ . 1 .]" 1
631 1 121 ASP HA 1 164 ARG HA 3.500 . 3.500 3.435 2.733 3.564 0.064 11 0 "[ . 1 .]" 1
632 1 121 ASP HA 1 165 MET H 5.000 . 5.000 2.990 2.451 3.170 . 0 0 "[ . 1 .]" 1
633 1 122 PHE H 1 123 HIS H 5.000 . 5.000 4.505 4.364 4.552 . 0 0 "[ . 1 .]" 1
634 1 122 PHE H 1 163 SER HA 5.000 . 5.000 4.430 4.146 4.835 . 0 0 "[ . 1 .]" 1
635 1 122 PHE H 1 163 SER QB 3.500 . 3.800 2.998 2.404 3.821 0.021 5 0 "[ . 1 .]" 1
636 1 122 PHE H 1 165 MET H 5.000 . 5.000 3.965 3.329 4.311 . 0 0 "[ . 1 .]" 1
637 1 123 HIS H 1 124 SER H 2.700 . 2.700 2.560 2.501 2.615 . 0 0 "[ . 1 .]" 1
638 1 123 HIS HA 1 124 SER H 5.000 . 5.000 3.356 3.324 3.392 . 0 0 "[ . 1 .]" 1
639 1 124 SER HA 1 125 CYS H 2.700 . 2.700 2.345 2.311 2.413 . 0 0 "[ . 1 .]" 1
640 1 124 SER HA 1 153 ARG HA 5.000 . 5.000 2.824 2.604 3.415 . 0 0 "[ . 1 .]" 1
641 1 124 SER HA 1 158 TRP HZ3 3.500 . 3.500 2.564 2.363 2.721 . 0 0 "[ . 1 .]" 1
642 1 124 SER HA 1 158 TRP HH2 5.000 . 5.000 2.946 2.601 3.125 . 0 0 "[ . 1 .]" 1
643 1 125 CYS HA 1 126 HIS H 2.700 . 2.700 2.426 2.358 2.573 . 0 0 "[ . 1 .]" 1
644 1 125 CYS H 1 152 TYR H 3.500 . 3.500 3.422 3.308 3.536 0.036 8 0 "[ . 1 .]" 1
645 1 125 CYS QB 1 152 TYR QD 5.000 . 5.600 3.798 3.119 4.407 . 0 0 "[ . 1 .]" 1
646 1 125 CYS QB 1 152 TYR QE 5.000 . 5.600 5.192 4.681 5.642 0.042 8 0 "[ . 1 .]" 1
647 1 125 CYS H 1 153 ARG HA 3.500 . 3.500 3.434 3.224 3.557 0.057 8 0 "[ . 1 .]" 1
648 1 125 CYS H 1 158 TRP HZ3 5.000 . 5.000 3.160 2.879 3.368 . 0 0 "[ . 1 .]" 1
649 1 125 CYS H 1 158 TRP HH2 5.000 . 5.000 4.755 4.458 4.934 . 0 0 "[ . 1 .]" 1
650 1 126 HIS HA 1 127 VAL H 2.700 . 2.700 2.297 2.272 2.329 . 0 0 "[ . 1 .]" 1
651 1 126 HIS HD2 1 150 GLY H 5.000 . 5.000 4.371 3.260 5.031 0.031 9 0 "[ . 1 .]" 1
652 1 126 HIS HA 1 151 GLU HA 3.500 . 3.500 2.476 2.435 2.558 . 0 0 "[ . 1 .]" 1
653 1 126 HIS HA 1 152 TYR H 3.500 . 3.500 2.587 2.406 2.693 . 0 0 "[ . 1 .]" 1
654 1 127 VAL HA 1 128 MET H 2.700 . 2.700 2.135 2.113 2.154 . 0 0 "[ . 1 .]" 1
655 1 127 VAL HA 1 129 ASP H 3.500 . 3.500 3.660 3.601 3.748 0.248 2 0 "[ . 1 .]" 1
656 1 127 VAL MG1 1 132 TRP HE1 3.500 . 4.000 2.848 2.536 3.125 . 0 0 "[ . 1 .]" 1
657 1 127 VAL MG2 1 132 TRP HE1 5.000 . 5.500 4.073 3.649 4.444 . 0 0 "[ . 1 .]" 1
658 1 127 VAL MG1 1 132 TRP HD1 2.700 . 3.200 2.247 2.002 2.547 . 0 0 "[ . 1 .]" 1
659 1 127 VAL MG2 1 147 LEU H 5.000 . 5.500 4.803 4.700 4.891 . 0 0 "[ . 1 .]" 1
660 1 127 VAL MG2 1 147 LEU HA 3.500 . 4.000 4.180 4.149 4.224 0.224 8 0 "[ . 1 .]" 1
661 1 127 VAL MG1 1 148 ARG H 5.000 . 5.500 4.910 4.645 5.062 . 0 0 "[ . 1 .]" 1
662 1 127 VAL MG2 1 148 ARG H 3.500 . 4.000 3.909 3.795 3.994 . 0 0 "[ . 1 .]" 1
663 1 127 VAL H 1 149 PRO HA 3.500 . 3.500 3.706 3.643 3.739 0.239 11 0 "[ . 1 .]" 1
664 1 127 VAL MG1 1 149 PRO HA 3.500 . 4.000 2.201 2.164 2.243 . 0 0 "[ . 1 .]" 1
665 1 127 VAL MG2 1 149 PRO HA 5.000 . 5.500 3.655 3.551 3.756 . 0 0 "[ . 1 .]" 1
666 1 127 VAL H 1 150 GLY H 3.500 . 3.500 3.377 3.200 3.526 0.026 13 0 "[ . 1 .]" 1
667 1 127 VAL H 1 151 GLU HA 3.500 . 3.500 3.539 3.510 3.571 0.071 5 0 "[ . 1 .]" 1
668 1 127 VAL H 1 152 TYR H 5.000 . 5.000 4.533 4.396 4.644 . 0 0 "[ . 1 .]" 1
669 1 127 VAL MG2 1 152 TYR QE 3.500 . 4.300 2.578 2.075 2.942 . 0 0 "[ . 1 .]" 1
670 1 127 VAL MG2 1 152 TYR QD 5.000 . 5.800 3.593 3.115 3.840 . 0 0 "[ . 1 .]" 1
671 1 128 MET H 1 129 ASP H 2.700 . 2.700 2.405 2.310 2.469 . 0 0 "[ . 1 .]" 1
672 1 128 MET HA 1 129 ASP H 3.500 . 3.500 3.463 3.430 3.492 . 0 0 "[ . 1 .]" 1
673 1 129 ASP H 1 130 GLY H 5.000 . 5.000 4.431 4.393 4.461 . 0 0 "[ . 1 .]" 1
674 1 129 ASP HA 1 130 GLY H 2.700 . 2.700 2.519 2.384 2.741 0.041 5 0 "[ . 1 .]" 1
675 1 130 GLY H 1 131 HIS H 5.000 . 5.000 4.610 4.582 4.649 . 0 0 "[ . 1 .]" 1
676 1 130 GLY QA 1 131 HIS H 2.700 . 3.000 2.190 2.135 2.297 . 0 0 "[ . 1 .]" 1
677 1 130 GLY H 1 149 PRO QG 5.000 . 5.300 3.114 2.722 3.483 . 0 0 "[ . 1 .]" 1
678 1 131 HIS H 1 132 TRP H 5.000 . 5.000 4.261 4.187 4.397 . 0 0 "[ . 1 .]" 1
679 1 131 HIS HA 1 132 TRP H 2.700 . 2.700 2.203 2.170 2.241 . 0 0 "[ . 1 .]" 1
680 1 131 HIS QB 1 146 TYR QD 5.000 . 5.600 3.978 3.568 4.519 . 0 0 "[ . 1 .]" 1
681 1 131 HIS QB 1 146 TYR QE 3.500 . 4.100 2.342 2.215 3.102 . 0 0 "[ . 1 .]" 1
682 1 131 HIS QB 1 171 ILE MD 3.500 . 4.300 2.099 1.924 2.840 . 0 0 "[ . 1 .]" 1
683 1 132 TRP HA 1 133 LEU H 2.700 . 2.700 2.176 2.119 2.219 . 0 0 "[ . 1 .]" 1
684 1 132 TRP H 1 147 LEU H 5.000 . 5.000 3.862 3.714 4.079 . 0 0 "[ . 1 .]" 1
685 1 132 TRP H 1 148 ARG HA 5.000 . 5.000 3.279 3.161 3.364 . 0 0 "[ . 1 .]" 1
686 1 132 TRP HE3 1 168 ILE MD 5.000 . 5.500 4.235 3.838 4.471 . 0 0 "[ . 1 .]" 1
687 1 132 TRP HE3 1 168 ILE MG 2.700 . 3.200 2.254 2.164 2.360 . 0 0 "[ . 1 .]" 1
688 1 132 TRP HZ3 1 168 ILE MD 5.000 . 5.500 4.763 4.262 5.146 . 0 0 "[ . 1 .]" 1
689 1 132 TRP HZ3 1 168 ILE MG 3.500 . 4.000 3.240 3.006 3.462 . 0 0 "[ . 1 .]" 1
690 1 132 TRP HH2 1 168 ILE MG 5.000 . 5.500 5.237 5.004 5.459 . 0 0 "[ . 1 .]" 1
691 1 132 TRP HA 1 169 ARG H 5.000 . 5.000 5.001 4.890 5.074 0.074 8 0 "[ . 1 .]" 1
692 1 132 TRP HA 1 170 ARG HA 3.500 . 3.500 2.728 2.528 2.919 . 0 0 "[ . 1 .]" 1
693 1 132 TRP HE3 1 170 ARG HA 5.000 . 5.000 3.515 3.133 4.263 . 0 0 "[ . 1 .]" 1
694 1 132 TRP HA 1 171 ILE H 3.500 . 3.500 3.071 2.865 3.501 0.001 10 0 "[ . 1 .]" 1
695 1 132 TRP HA 1 171 ILE MD 3.500 . 4.000 3.833 2.934 4.058 0.058 5 0 "[ . 1 .]" 1
696 1 132 TRP HA 1 171 ILE MG 5.000 . 5.500 5.530 4.933 5.617 0.117 2 0 "[ . 1 .]" 1
697 1 132 TRP H 1 171 ILE MD 5.000 . 5.500 3.873 3.536 4.494 . 0 0 "[ . 1 .]" 1
698 1 133 LEU H 1 134 VAL H 5.000 . 5.000 4.479 4.442 4.513 . 0 0 "[ . 1 .]" 1
699 1 133 LEU HA 1 134 VAL H 2.700 . 2.700 2.249 2.232 2.262 . 0 0 "[ . 1 .]" 1
700 1 133 LEU HA 1 145 PHE H 5.000 . 5.000 4.427 4.282 4.765 . 0 0 "[ . 1 .]" 1
701 1 133 LEU HA 1 146 TYR HA 5.000 . 5.000 2.523 2.331 2.787 . 0 0 "[ . 1 .]" 1
702 1 133 LEU MD1 1 146 TYR HA 5.000 . 5.500 4.744 3.237 5.366 . 0 0 "[ . 1 .]" 1
703 1 133 LEU MD2 1 146 TYR HA 3.500 . 4.000 2.693 2.290 2.950 . 0 0 "[ . 1 .]" 1
704 1 133 LEU HA 1 147 LEU H 3.500 . 3.500 3.198 2.978 3.502 0.002 10 0 "[ . 1 .]" 1
705 1 133 LEU MD2 1 147 LEU H 5.000 . 5.500 4.341 3.932 4.580 . 0 0 "[ . 1 .]" 1
706 1 133 LEU H 1 168 ILE MG 3.500 . 4.000 3.532 3.371 3.748 . 0 0 "[ . 1 .]" 1
707 1 133 LEU H 1 169 ARG H 3.500 . 3.500 3.279 3.155 3.440 . 0 0 "[ . 1 .]" 1
708 1 133 LEU MD1 1 169 ARG H 3.500 . 4.000 4.138 4.033 4.203 0.203 12 0 "[ . 1 .]" 1
709 1 133 LEU MD2 1 169 ARG H 5.000 . 5.500 5.503 5.390 5.563 0.063 10 0 "[ . 1 .]" 1
710 1 133 LEU H 1 170 ARG HA 3.500 . 3.500 3.479 3.367 3.591 0.091 8 0 "[ . 1 .]" 1
711 1 133 LEU H 1 171 ILE H 5.000 . 5.000 3.275 2.928 3.644 . 0 0 "[ . 1 .]" 1
712 1 133 LEU H 1 171 ILE MD 5.000 . 5.500 3.814 3.287 4.113 . 0 0 "[ . 1 .]" 1
713 1 134 VAL HA 1 135 TYR H 2.700 . 2.700 2.229 2.205 2.244 . 0 0 "[ . 1 .]" 1
714 1 134 VAL MG1 1 144 GLN HA 5.000 . 5.500 4.155 3.863 4.294 . 0 0 "[ . 1 .]" 1
715 1 134 VAL H 1 145 PHE H 3.500 . 3.500 2.603 2.498 2.880 . 0 0 "[ . 1 .]" 1
716 1 134 VAL MG1 1 145 PHE H 3.500 . 4.000 3.536 3.286 3.730 . 0 0 "[ . 1 .]" 1
717 1 134 VAL MG2 1 145 PHE H 5.000 . 5.500 4.396 4.248 4.545 . 0 0 "[ . 1 .]" 1
718 1 134 VAL MG1 1 145 PHE QD 3.500 . 4.300 2.628 2.325 2.965 . 0 0 "[ . 1 .]" 1
719 1 134 VAL MG2 1 145 PHE QD 5.000 . 5.800 4.502 3.988 4.878 . 0 0 "[ . 1 .]" 1
720 1 134 VAL H 1 146 TYR HA 3.500 . 3.500 3.495 3.386 3.547 0.047 4 0 "[ . 1 .]" 1
721 1 134 VAL H 1 147 LEU H 5.000 . 5.000 3.829 3.590 3.967 . 0 0 "[ . 1 .]" 1
722 1 134 VAL H 1 147 LEU MD1 5.000 . 5.500 3.073 2.956 3.211 . 0 0 "[ . 1 .]" 1
723 1 134 VAL H 1 147 LEU MD2 5.000 . 5.500 5.273 5.141 5.392 . 0 0 "[ . 1 .]" 1
724 1 134 VAL MG2 1 147 LEU H 5.000 . 5.500 3.795 3.568 3.932 . 0 0 "[ . 1 .]" 1
725 1 134 VAL MG1 1 158 TRP HD1 5.000 . 5.500 5.060 4.986 5.172 . 0 0 "[ . 1 .]" 1
726 1 134 VAL MG1 1 158 TRP HE1 5.000 . 5.500 5.410 5.275 5.502 0.002 10 0 "[ . 1 .]" 1
727 1 134 VAL MG1 1 166 GLY H 5.000 . 5.500 4.483 4.406 4.628 . 0 0 "[ . 1 .]" 1
728 1 134 VAL MG1 1 167 SER H 5.000 . 5.500 4.252 4.200 4.319 . 0 0 "[ . 1 .]" 1
729 1 134 VAL HA 1 168 ILE HA 3.500 . 3.500 2.430 2.375 2.479 . 0 0 "[ . 1 .]" 1
730 1 134 VAL HA 1 168 ILE MD 3.500 . 4.000 3.536 3.466 3.626 . 0 0 "[ . 1 .]" 1
731 1 134 VAL HA 1 168 ILE MG 5.000 . 5.500 2.365 2.281 2.460 . 0 0 "[ . 1 .]" 1
732 1 134 VAL MG1 1 168 ILE HA 3.500 . 4.000 3.922 3.815 4.047 0.047 12 0 "[ . 1 .]" 1
733 1 134 VAL MG2 1 168 ILE HA 3.500 . 4.000 3.842 3.716 3.938 . 0 0 "[ . 1 .]" 1
734 1 134 VAL HA 1 169 ARG H 3.500 . 3.500 3.565 3.445 3.633 0.133 12 0 "[ . 1 .]" 1
735 1 134 VAL MG2 1 169 ARG H 5.000 . 5.500 4.469 4.295 4.543 . 0 0 "[ . 1 .]" 1
736 1 135 TYR HA 1 136 GLU H 2.700 . 2.700 2.176 2.160 2.190 . 0 0 "[ . 1 .]" 1
737 1 135 TYR HA 1 137 GLN H 3.500 . 3.500 3.661 3.627 3.696 0.196 7 0 "[ . 1 .]" 1
738 1 135 TYR QB 1 137 GLN H 3.500 . 3.800 2.640 2.560 2.722 . 0 0 "[ . 1 .]" 1
739 1 135 TYR QB 1 140 TYR HA 5.000 . 5.300 2.677 2.564 2.800 . 0 0 "[ . 1 .]" 1
740 1 135 TYR QD 1 140 TYR HA 5.000 . 5.300 2.895 2.719 3.051 . 0 0 "[ . 1 .]" 1
741 1 135 TYR QD 1 141 THR H 3.500 . 3.800 3.216 2.781 3.650 . 0 0 "[ . 1 .]" 1
742 1 135 TYR HA 1 144 GLN HA 3.500 . 3.500 2.287 2.197 2.406 . 0 0 "[ . 1 .]" 1
743 1 135 TYR HA 1 145 PHE H 3.500 . 3.500 3.679 3.632 3.715 0.215 9 0 "[ . 1 .]" 1
744 1 135 TYR H 1 147 LEU MD1 5.000 . 5.500 5.651 5.611 5.701 0.201 15 0 "[ . 1 .]" 1
745 1 135 TYR H 1 167 SER H 3.500 . 3.500 3.540 3.490 3.589 0.089 10 0 "[ . 1 .]" 1
746 1 135 TYR H 1 168 ILE HA 3.500 . 3.500 2.882 2.814 2.943 . 0 0 "[ . 1 .]" 1
747 1 135 TYR H 1 168 ILE MD 3.500 . 4.000 4.196 4.177 4.211 0.211 7 0 "[ . 1 .]" 1
748 1 135 TYR H 1 168 ILE MG 3.500 . 4.000 3.935 3.894 3.971 . 0 0 "[ . 1 .]" 1
749 1 135 TYR H 1 169 ARG H 5.000 . 5.000 4.764 4.702 4.827 . 0 0 "[ . 1 .]" 1
750 1 136 GLU H 1 137 GLN H 2.700 . 2.700 2.666 2.623 2.688 . 0 0 "[ . 1 .]" 1
751 1 136 GLU H 1 142 GLY QA 3.500 . 3.800 3.382 3.261 3.571 . 0 0 "[ . 1 .]" 1
752 1 136 GLU H 1 143 ARG H 3.500 . 3.500 3.661 3.615 3.701 0.201 8 0 "[ . 1 .]" 1
753 1 136 GLU H 1 144 GLN HA 3.500 . 3.500 3.317 3.147 3.432 . 0 0 "[ . 1 .]" 1
754 1 136 GLU H 1 145 PHE H 5.000 . 5.000 4.811 4.603 4.939 . 0 0 "[ . 1 .]" 1
755 1 136 GLU HA 1 165 MET HA 3.500 . 3.500 2.287 2.225 2.347 . 0 0 "[ . 1 .]" 1
756 1 136 GLU HA 1 166 GLY H 3.500 . 3.500 3.353 3.228 3.417 . 0 0 "[ . 1 .]" 1
757 1 136 GLU HA 1 167 SER H 5.000 . 5.000 4.646 4.468 4.721 . 0 0 "[ . 1 .]" 1
758 1 137 GLN HA 1 138 PRO QD 2.700 . 3.000 2.082 1.938 2.126 . 0 0 "[ . 1 .]" 1
759 1 137 GLN H 1 141 THR H 5.000 . 5.000 3.897 3.751 4.004 . 0 0 "[ . 1 .]" 1
760 1 137 GLN H 1 142 GLY QA 3.500 . 3.800 2.355 2.191 2.545 . 0 0 "[ . 1 .]" 1
761 1 137 GLN QG 1 142 GLY QA 3.500 . 4.100 3.211 2.228 3.719 . 0 0 "[ . 1 .]" 1
762 1 137 GLN H 1 143 ARG H 5.000 . 5.000 4.294 4.160 4.448 . 0 0 "[ . 1 .]" 1
763 1 137 GLN HA 1 166 GLY H 5.000 . 5.000 3.620 3.415 3.869 . 0 0 "[ . 1 .]" 1
764 1 137 GLN HA 1 166 GLY QA 3.500 . 3.800 3.567 3.403 3.787 . 0 0 "[ . 1 .]" 1
765 1 137 GLN HA 1 167 SER H 5.000 . 5.000 4.477 4.340 4.586 . 0 0 "[ . 1 .]" 1
766 1 138 PRO HA 1 139 ASN H 3.500 . 3.500 2.604 2.538 2.671 . 0 0 "[ . 1 .]" 1
767 1 138 PRO HA 1 140 TYR H 5.000 . 5.000 3.317 3.207 3.457 . 0 0 "[ . 1 .]" 1
768 1 138 PRO HA 1 167 SER HA 3.500 . 3.500 3.299 3.189 3.363 . 0 0 "[ . 1 .]" 1
769 1 138 PRO HA 1 167 SER QB 3.500 . 3.800 2.011 1.925 2.201 . 0 0 "[ . 1 .]" 1
770 1 138 PRO HA 1 168 ILE H 5.000 . 5.000 5.210 5.184 5.231 0.231 7 0 "[ . 1 .]" 1
771 1 139 ASN H 1 140 TYR H 3.500 . 3.500 2.820 2.787 2.862 . 0 0 "[ . 1 .]" 1
772 1 139 ASN HA 1 140 TYR H 3.500 . 3.500 2.900 2.836 2.952 . 0 0 "[ . 1 .]" 1
773 1 139 ASN H 1 167 SER QB 3.500 . 3.800 2.690 2.492 3.252 . 0 0 "[ . 1 .]" 1
774 1 139 ASN HA 1 167 SER QB 3.500 . 3.800 3.828 3.711 3.993 0.193 14 0 "[ . 1 .]" 1
775 1 140 TYR H 1 141 THR H 3.500 . 3.500 2.906 2.829 3.082 . 0 0 "[ . 1 .]" 1
776 1 140 TYR HA 1 141 THR H 3.500 . 3.500 2.706 2.613 2.744 . 0 0 "[ . 1 .]" 1
777 1 140 TYR HA 1 167 SER QB 3.500 . 3.800 2.715 2.260 3.036 . 0 0 "[ . 1 .]" 1
778 1 140 TYR H 1 167 SER QB 3.500 . 3.800 1.868 1.712 1.966 0.088 6 0 "[ . 1 .]" 1
779 1 141 THR HA 1 142 GLY H 2.700 . 2.700 2.464 2.420 2.550 . 0 0 "[ . 1 .]" 1
780 1 142 GLY H 1 143 ARG H 5.000 . 5.000 4.508 4.460 4.581 . 0 0 "[ . 1 .]" 1
781 1 142 GLY QA 1 143 ARG H 2.700 . 3.000 2.309 2.292 2.321 . 0 0 "[ . 1 .]" 1
782 1 143 ARG H 1 144 GLN H 5.000 . 5.000 4.407 4.361 4.465 . 0 0 "[ . 1 .]" 1
783 1 143 ARG HA 1 144 GLN H 2.700 . 2.700 2.175 2.158 2.190 . 0 0 "[ . 1 .]" 1
784 1 144 GLN HA 1 145 PHE H 2.700 . 2.700 2.218 2.190 2.241 . 0 0 "[ . 1 .]" 1
785 1 145 PHE HA 1 146 TYR H 2.700 . 2.700 2.204 2.169 2.255 . 0 0 "[ . 1 .]" 1
786 1 145 PHE QD 1 147 LEU MD1 5.000 . 5.800 3.811 3.602 3.929 . 0 0 "[ . 1 .]" 1
787 1 145 PHE HZ 1 160 GLY QA 5.000 . 5.300 3.140 2.738 3.862 . 0 0 "[ . 1 .]" 1
788 1 146 TYR HA 1 147 LEU H 2.700 . 2.700 2.231 2.217 2.254 . 0 0 "[ . 1 .]" 1
789 1 146 TYR QD 1 171 ILE MD 3.500 . 4.300 2.976 2.316 3.723 . 0 0 "[ . 1 .]" 1
790 1 146 TYR QE 1 171 ILE MD 3.500 . 4.300 2.584 2.009 3.630 . 0 0 "[ . 1 .]" 1
791 1 147 LEU HA 1 148 ARG H 2.700 . 2.700 2.137 2.128 2.146 . 0 0 "[ . 1 .]" 1
792 1 147 LEU HA 1 152 TYR QE 5.000 . 5.300 3.128 2.889 3.318 . 0 0 "[ . 1 .]" 1
793 1 147 LEU MD2 1 152 TYR QE 3.500 . 4.300 3.310 2.992 3.438 . 0 0 "[ . 1 .]" 1
794 1 147 LEU MD2 1 152 TYR QD 5.000 . 5.800 3.064 2.811 3.236 . 0 0 "[ . 1 .]" 1
795 1 147 LEU MD1 1 158 TRP HA 3.500 . 4.000 4.056 4.033 4.083 0.083 8 0 "[ . 1 .]" 1
796 1 147 LEU MD2 1 158 TRP HA 3.500 . 4.000 4.092 4.058 4.117 0.117 3 0 "[ . 1 .]" 1
797 1 147 LEU MD1 1 158 TRP HD1 5.000 . 5.500 4.265 4.111 4.421 . 0 0 "[ . 1 .]" 1
798 1 147 LEU MD2 1 158 TRP HD1 5.000 . 5.500 4.835 4.658 5.006 . 0 0 "[ . 1 .]" 1
799 1 147 LEU MD2 1 158 TRP QB 2.700 . 3.500 2.202 2.176 2.231 . 0 0 "[ . 1 .]" 1
800 1 147 LEU MD1 1 158 TRP QB 3.500 . 4.300 2.384 2.329 2.425 . 0 0 "[ . 1 .]" 1
801 1 148 ARG HA 1 149 PRO QD 2.700 . 3.000 2.279 2.217 2.349 . 0 0 "[ . 1 .]" 1
802 1 149 PRO HA 1 150 GLY H 2.700 . 2.700 2.341 2.279 2.405 . 0 0 "[ . 1 .]" 1
803 1 150 GLY QA 1 151 GLU H 2.700 . 3.000 2.307 2.281 2.328 . 0 0 "[ . 1 .]" 1
804 1 151 GLU HA 1 152 TYR H 2.700 . 2.700 2.181 2.169 2.194 . 0 0 "[ . 1 .]" 1
805 1 152 TYR HA 1 153 ARG H 2.700 . 2.700 2.308 2.256 2.338 . 0 0 "[ . 1 .]" 1
806 1 152 TYR HA 1 154 SER H 5.000 . 5.000 4.019 3.970 4.075 . 0 0 "[ . 1 .]" 1
807 1 152 TYR QB 1 154 SER H 3.500 . 3.800 3.433 3.289 3.582 . 0 0 "[ . 1 .]" 1
808 1 152 TYR QD 1 158 TRP HA 5.000 . 5.300 3.107 2.970 3.531 . 0 0 "[ . 1 .]" 1
809 1 152 TYR QE 1 158 TRP HA 3.500 . 3.800 2.664 2.424 3.208 . 0 0 "[ . 1 .]" 1
810 1 153 ARG H 1 154 SER H 2.700 . 2.700 2.029 1.927 2.099 . 0 0 "[ . 1 .]" 1
811 1 153 ARG HA 1 154 SER H 3.500 . 3.500 3.432 3.368 3.495 . 0 0 "[ . 1 .]" 1
812 1 153 ARG H 1 158 TRP H 5.000 . 5.000 5.060 5.023 5.111 0.111 3 0 "[ . 1 .]" 1
813 1 153 ARG HA 1 158 TRP HH2 5.000 . 5.000 5.093 5.062 5.113 0.113 11 0 "[ . 1 .]" 1
814 1 154 SER HA 1 155 TYR H 2.700 . 2.700 2.498 2.413 2.603 . 0 0 "[ . 1 .]" 1
815 1 154 SER QB 1 155 TYR H 2.700 . 3.000 2.583 2.121 3.041 0.041 11 0 "[ . 1 .]" 1
816 1 154 SER H 1 156 ASN H 5.000 . 5.000 4.190 3.968 4.453 . 0 0 "[ . 1 .]" 1
817 1 154 SER HA 1 156 ASN H 5.000 . 5.000 3.995 3.842 4.263 . 0 0 "[ . 1 .]" 1
818 1 154 SER QB 1 156 ASN H 3.500 . 3.800 2.467 2.167 3.011 . 0 0 "[ . 1 .]" 1
819 1 154 SER QB 1 157 ASP H 5.000 . 5.300 3.702 3.432 4.401 . 0 0 "[ . 1 .]" 1
820 1 154 SER H 1 157 ASP H 5.000 . 5.000 3.314 3.239 3.403 . 0 0 "[ . 1 .]" 1
821 1 155 TYR H 1 156 ASN H 3.500 . 3.500 2.691 2.623 2.818 . 0 0 "[ . 1 .]" 1
822 1 155 TYR HA 1 156 ASN H 5.000 . 5.000 3.426 3.352 3.502 . 0 0 "[ . 1 .]" 1
823 1 155 TYR HA 1 157 ASP H 3.500 . 3.500 3.472 3.420 3.541 0.041 5 0 "[ . 1 .]" 1
824 1 155 TYR HA 1 158 TRP HZ2 5.000 . 5.000 2.588 2.536 2.633 . 0 0 "[ . 1 .]" 1
825 1 155 TYR HA 1 158 TRP HZ3 5.000 . 5.000 5.031 4.977 5.073 0.073 4 0 "[ . 1 .]" 1
826 1 155 TYR HA 1 158 TRP HH2 5.000 . 5.000 4.055 3.981 4.118 . 0 0 "[ . 1 .]" 1
827 1 155 TYR QD 1 160 GLY H 5.000 . 5.300 5.459 5.373 5.537 0.237 5 0 "[ . 1 .]" 1
828 1 155 TYR QD 1 160 GLY QA 5.000 . 5.600 4.908 4.656 5.034 . 0 0 "[ . 1 .]" 1
829 1 155 TYR QD 1 162 THR HA 5.000 . 5.300 3.793 3.360 4.212 . 0 0 "[ . 1 .]" 1
830 1 155 TYR QE 1 162 THR HA 5.000 . 5.300 4.506 4.368 4.671 . 0 0 "[ . 1 .]" 1
831 1 155 TYR QD 1 163 SER HA 3.500 . 3.800 3.702 3.560 3.839 0.039 2 0 "[ . 1 .]" 1
832 1 155 TYR QE 1 163 SER HA 5.000 . 5.300 5.114 4.403 5.384 0.084 14 0 "[ . 1 .]" 1
833 1 155 TYR QD 1 163 SER QB 5.000 . 5.600 3.054 2.618 4.107 . 0 0 "[ . 1 .]" 1
834 1 155 TYR QE 1 163 SER QB 5.000 . 5.600 3.264 2.281 4.131 . 0 0 "[ . 1 .]" 1
835 1 156 ASN H 1 157 ASP H 2.700 . 2.700 2.468 2.329 2.628 . 0 0 "[ . 1 .]" 1
836 1 156 ASN HA 1 157 ASP H 5.000 . 5.000 3.297 3.279 3.330 . 0 0 "[ . 1 .]" 1
837 1 156 ASN HA 1 158 TRP H 5.000 . 5.000 5.057 5.021 5.079 0.079 3 0 "[ . 1 .]" 1
838 1 156 ASN HA 1 159 GLY H 5.000 . 5.000 3.760 3.666 3.876 . 0 0 "[ . 1 .]" 1
839 1 156 ASN HA 1 160 GLY H 3.500 . 3.500 3.453 3.366 3.514 0.014 1 0 "[ . 1 .]" 1
840 1 156 ASN HA 1 161 VAL HA 5.000 . 5.000 5.068 5.022 5.118 0.118 12 0 "[ . 1 .]" 1
841 1 157 ASP H 1 158 TRP H 3.500 . 3.500 2.599 2.544 2.632 . 0 0 "[ . 1 .]" 1
842 1 157 ASP HA 1 158 TRP H 5.000 . 5.000 3.611 3.603 3.621 . 0 0 "[ . 1 .]" 1
843 1 157 ASP HA 1 159 GLY H 5.000 . 5.000 3.446 3.395 3.491 . 0 0 "[ . 1 .]" 1
844 1 158 TRP H 1 159 GLY H 2.700 . 2.700 2.713 2.649 2.746 0.046 11 0 "[ . 1 .]" 1
845 1 158 TRP HA 1 159 GLY H 5.000 . 5.000 3.098 3.077 3.137 . 0 0 "[ . 1 .]" 1
846 1 158 TRP H 1 160 GLY H 3.500 . 3.500 3.542 3.442 3.576 0.076 12 0 "[ . 1 .]" 1
847 1 158 TRP HD1 1 160 GLY H 3.500 . 3.500 3.250 2.987 3.470 . 0 0 "[ . 1 .]" 1
848 1 158 TRP HE1 1 160 GLY H 5.000 . 5.000 3.889 3.744 4.081 . 0 0 "[ . 1 .]" 1
849 1 158 TRP HZ2 1 163 SER HA 3.500 . 3.500 3.495 3.303 3.563 0.063 7 0 "[ . 1 .]" 1
850 1 158 TRP HE1 1 165 MET ME 3.500 . 4.000 2.674 2.576 2.783 . 0 0 "[ . 1 .]" 1
851 1 158 TRP HZ2 1 165 MET ME 3.500 . 4.000 2.850 2.567 3.203 . 0 0 "[ . 1 .]" 1
852 1 159 GLY H 1 160 GLY H 3.500 . 3.500 2.620 2.562 2.657 . 0 0 "[ . 1 .]" 1
853 1 159 GLY QA 1 160 GLY H 5.000 . 5.300 2.764 2.726 2.797 . 0 0 "[ . 1 .]" 1
854 1 160 GLY QA 1 161 VAL H 2.700 . 3.000 2.234 2.195 2.265 . 0 0 "[ . 1 .]" 1
855 1 161 VAL H 1 162 THR H 2.700 . 2.700 1.734 1.588 1.772 0.212 4 0 "[ . 1 .]" 1
856 1 161 VAL HA 1 162 THR H 3.500 . 3.500 3.414 3.113 3.521 0.021 6 0 "[ . 1 .]" 1
857 1 162 THR HA 1 163 SER H 2.700 . 2.700 2.852 2.797 2.911 0.211 10 0 "[ . 1 .]" 1
858 1 162 THR HB 1 163 SER H 2.700 . 2.700 1.891 1.796 1.952 0.004 13 0 "[ . 1 .]" 1
859 1 162 THR HA 1 164 ARG H 5.000 . 5.000 4.473 4.395 4.557 . 0 0 "[ . 1 .]" 1
860 1 162 THR HB 1 164 ARG H 3.500 . 3.500 2.797 2.516 3.029 . 0 0 "[ . 1 .]" 1
861 1 162 THR HG1 1 164 ARG H 3.500 . 4.000 2.949 1.972 3.667 . 0 0 "[ . 1 .]" 1
862 1 163 SER H 1 164 ARG H 3.500 . 3.500 1.853 1.765 1.932 0.035 4 0 "[ . 1 .]" 1
863 1 163 SER HA 1 164 ARG H 3.500 . 3.500 3.223 3.103 3.302 . 0 0 "[ . 1 .]" 1
864 1 164 ARG HA 1 165 MET H 2.700 . 2.700 2.444 2.398 2.512 . 0 0 "[ . 1 .]" 1
865 1 165 MET HA 1 166 GLY H 2.700 . 2.700 2.144 2.121 2.171 . 0 0 "[ . 1 .]" 1
866 1 165 MET HA 1 167 SER H 3.500 . 3.500 3.707 3.673 3.768 0.268 11 0 "[ . 1 .]" 1
867 1 166 GLY H 1 167 SER H 2.700 . 2.700 2.104 2.062 2.154 . 0 0 "[ . 1 .]" 1
868 1 166 GLY QA 1 167 SER H 3.500 . 3.800 2.912 2.889 2.939 . 0 0 "[ . 1 .]" 1
869 1 167 SER H 1 167 SER HA 2.700 . 2.700 2.975 2.970 2.983 0.283 8 0 "[ . 1 .]" 1
870 1 168 ILE HA 1 169 ARG H 2.700 . 2.700 2.266 2.234 2.282 . 0 0 "[ . 1 .]" 1
871 1 168 ILE MG 1 170 ARG H 5.000 . 5.500 4.547 4.392 4.652 . 0 0 "[ . 1 .]" 1
872 1 169 ARG HA 1 170 ARG H 2.700 . 2.700 2.235 2.189 2.275 . 0 0 "[ . 1 .]" 1
873 1 170 ARG H 1 171 ILE H 5.000 . 5.000 4.003 3.676 4.235 . 0 0 "[ . 1 .]" 1
874 1 170 ARG HA 1 171 ILE H 2.700 . 2.700 2.301 2.170 2.476 . 0 0 "[ . 1 .]" 1
875 1 171 ILE H 1 172 THR H 5.000 . 5.000 4.144 3.900 4.604 . 0 0 "[ . 1 .]" 1
876 1 171 ILE HA 1 172 THR H 2.700 . 2.700 2.424 2.200 2.985 0.285 9 0 "[ . 1 .]" 1
877 1 171 ILE HA 1 173 ASP H 5.000 . 5.000 4.342 3.905 4.879 . 0 0 "[ . 1 .]" 1
878 1 172 THR H 1 173 ASP H 3.500 . 3.500 3.282 2.563 3.620 0.120 7 0 "[ . 1 .]" 1
879 1 172 THR HA 1 173 ASP H 2.700 . 2.700 2.539 2.418 2.793 0.093 9 0 "[ . 1 .]" 1
880 1 173 ASP H 1 174 LEU H 3.500 . 3.500 3.511 3.009 3.640 0.140 5 0 "[ . 1 .]" 1
881 1 173 ASP HA 1 174 LEU H 2.700 . 2.700 2.334 2.152 3.149 0.449 5 0 "[ . 1 .]" 1
882 1 4 ILE MD 1 36 ILE MG 2.700 . 3.700 2.794 1.886 3.791 0.091 13 0 "[ . 1 .]" 1
883 1 4 ILE MD 1 36 ILE MD 5.000 . 6.000 3.539 1.901 5.487 . 0 0 "[ . 1 .]" 1
884 1 4 ILE MD 1 38 VAL MG2 2.700 . 3.700 2.158 1.979 2.302 . 0 0 "[ . 1 .]" 1
885 1 4 ILE MD 1 38 VAL MG1 5.000 . 6.000 3.074 1.952 3.711 . 0 0 "[ . 1 .]" 1
886 1 4 ILE MD 1 45 VAL MG1 3.500 . 4.500 3.230 2.752 4.435 . 0 0 "[ . 1 .]" 1
887 1 4 ILE MD 1 58 LEU MD1 5.000 . 6.000 3.628 2.427 5.431 . 0 0 "[ . 1 .]" 1
888 1 26 LEU MD1 1 76 VAL MG1 3.500 . 4.500 2.857 1.961 4.173 . 0 0 "[ . 1 .]" 1
889 1 26 LEU MD1 1 76 VAL MG2 5.000 . 6.000 3.018 1.932 3.929 . 0 0 "[ . 1 .]" 1
890 1 36 ILE MD 1 45 VAL MG1 3.500 . 4.500 2.942 2.509 3.103 . 0 0 "[ . 1 .]" 1
891 1 36 ILE MD 1 45 VAL MG2 5.000 . 6.000 3.619 3.401 4.074 . 0 0 "[ . 1 .]" 1
892 1 36 ILE MG 1 45 VAL MG1 5.000 . 6.000 3.627 3.162 4.320 . 0 0 "[ . 1 .]" 1
893 1 36 ILE MD 1 58 LEU MD1 3.500 . 4.500 2.947 2.172 4.302 . 0 0 "[ . 1 .]" 1
894 1 36 ILE MD 1 58 LEU MD2 5.000 . 6.000 3.675 2.222 4.732 . 0 0 "[ . 1 .]" 1
895 1 36 ILE MG 1 58 LEU MD1 3.500 . 4.500 3.178 2.368 4.518 0.018 8 0 "[ . 1 .]" 1
896 1 36 ILE MD 1 76 VAL MG1 5.000 . 6.000 4.177 3.313 4.671 . 0 0 "[ . 1 .]" 1
897 1 36 ILE MD 1 76 VAL MG2 3.500 . 4.500 3.028 2.555 3.545 . 0 0 "[ . 1 .]" 1
898 1 38 VAL MG2 1 58 LEU MD1 3.500 . 4.500 3.496 2.928 4.430 . 0 0 "[ . 1 .]" 1
899 1 38 VAL MG2 1 58 LEU MD2 5.000 . 6.000 3.791 2.043 4.357 . 0 0 "[ . 1 .]" 1
900 1 44 MET ME 1 133 LEU MD2 2.700 . 3.700 2.838 2.018 3.385 . 0 0 "[ . 1 .]" 1
901 1 44 MET ME 1 133 LEU MD1 5.000 . 6.000 4.506 3.327 5.324 . 0 0 "[ . 1 .]" 1
902 1 45 VAL MG1 1 58 LEU MD1 3.500 . 4.500 2.387 2.037 4.221 . 0 0 "[ . 1 .]" 1
903 1 45 VAL MG2 1 58 LEU MD1 5.000 . 6.000 2.309 1.989 3.771 . 0 0 "[ . 1 .]" 1
904 1 45 VAL MG1 1 76 VAL MG1 5.000 . 6.000 2.994 2.502 3.123 . 0 0 "[ . 1 .]" 1
905 1 45 VAL MG2 1 76 VAL MG1 2.700 . 3.700 2.802 2.168 3.412 . 0 0 "[ . 1 .]" 1
906 1 45 VAL MG2 1 76 VAL MG2 3.500 . 4.500 3.098 2.446 3.946 . 0 0 "[ . 1 .]" 1
907 1 82 ILE MG 1 84 LEU MD2 5.000 . 6.000 4.601 4.065 6.025 0.025 11 0 "[ . 1 .]" 1
908 1 82 ILE MD 1 171 ILE MD 3.500 . 4.500 3.063 2.221 4.314 . 0 0 "[ . 1 .]" 1
909 1 82 ILE MD 1 171 ILE MG 5.000 . 6.000 3.771 2.862 5.511 . 0 0 "[ . 1 .]" 1
910 1 82 ILE MG 1 171 ILE MG 5.000 . 6.000 3.961 3.310 5.130 . 0 0 "[ . 1 .]" 1
911 1 82 ILE MG 1 171 ILE MD 5.000 . 6.000 3.529 2.860 4.829 . 0 0 "[ . 1 .]" 1
912 1 91 MET ME 1 93 LEU MD2 3.500 . 4.500 3.895 2.674 4.170 . 0 0 "[ . 1 .]" 1
913 1 91 MET ME 1 127 VAL MG2 3.500 . 4.500 2.740 2.391 3.832 . 0 0 "[ . 1 .]" 1
914 1 91 MET ME 1 134 VAL MG2 3.500 . 4.500 2.481 2.233 2.692 . 0 0 "[ . 1 .]" 1
915 1 91 MET ME 1 147 LEU MD1 2.700 . 3.700 3.584 3.293 3.702 0.002 3 0 "[ . 1 .]" 1
916 1 91 MET ME 1 147 LEU MD2 3.500 . 4.500 2.988 2.525 3.312 . 0 0 "[ . 1 .]" 1
917 1 91 MET ME 1 168 ILE MD 3.500 . 4.500 2.812 2.337 3.142 . 0 0 "[ . 1 .]" 1
918 1 91 MET ME 1 168 ILE MG 3.500 . 4.500 2.411 2.173 2.667 . 0 0 "[ . 1 .]" 1
919 1 93 LEU MD1 1 113 LEU MD2 5.000 . 6.000 3.272 3.056 3.756 . 0 0 "[ . 1 .]" 1
920 1 93 LEU MD1 1 113 LEU MD1 5.000 . 6.000 3.592 3.407 3.771 . 0 0 "[ . 1 .]" 1
921 1 93 LEU MD1 1 168 ILE MD 3.500 . 4.500 3.010 2.780 3.231 . 0 0 "[ . 1 .]" 1
922 1 93 LEU MD2 1 165 MET ME 3.500 . 4.500 4.464 4.234 4.561 0.061 15 0 "[ . 1 .]" 1
923 1 93 LEU MD2 1 168 ILE MD 3.500 . 4.500 3.391 3.133 3.648 . 0 0 "[ . 1 .]" 1
924 1 104 MET ME 1 119 MET ME 3.500 . 4.500 2.297 1.913 3.688 . 0 0 "[ . 1 .]" 1
925 1 106 LEU MD2 1 168 ILE MG 3.500 . 4.500 3.338 2.311 4.073 . 0 0 "[ . 1 .]" 1
926 1 106 LEU MD1 1 168 ILE MD 5.000 . 6.000 3.021 2.139 4.255 . 0 0 "[ . 1 .]" 1
927 1 106 LEU MD1 1 168 ILE MG 3.500 . 4.500 3.692 2.649 4.472 . 0 0 "[ . 1 .]" 1
928 1 113 LEU MD1 1 168 ILE MD 3.500 . 4.500 2.071 2.025 2.188 . 0 0 "[ . 1 .]" 1
929 1 113 LEU MD2 1 168 ILE MD 3.500 . 4.500 3.274 3.145 3.370 . 0 0 "[ . 1 .]" 1
930 1 113 LEU MD2 1 168 ILE MG 5.000 . 6.000 4.995 4.776 5.155 . 0 0 "[ . 1 .]" 1
931 1 127 VAL MG2 1 147 LEU MD1 5.000 . 6.000 4.549 4.477 4.609 . 0 0 "[ . 1 .]" 1
932 1 127 VAL MG2 1 147 LEU MD2 3.500 . 4.500 3.417 3.306 3.527 . 0 0 "[ . 1 .]" 1
933 1 133 LEU MD1 1 171 ILE MD 3.500 . 4.500 2.790 2.145 4.272 . 0 0 "[ . 1 .]" 1
934 1 133 LEU MD2 1 171 ILE MD 3.500 . 4.500 2.276 1.897 3.396 . 0 0 "[ . 1 .]" 1
935 1 134 VAL MG1 1 165 MET ME 3.500 . 4.500 2.816 2.540 3.085 . 0 0 "[ . 1 .]" 1
936 1 134 VAL MG1 1 168 ILE MD 5.000 . 6.000 3.016 2.897 3.180 . 0 0 "[ . 1 .]" 1
937 1 134 VAL MG2 1 147 LEU MD1 2.700 . 3.700 1.958 1.903 2.006 . 0 0 "[ . 1 .]" 1
938 1 134 VAL MG2 1 147 LEU MD2 3.500 . 4.500 2.472 2.309 2.561 . 0 0 "[ . 1 .]" 1
939 1 134 VAL MG2 1 165 MET ME 3.500 . 4.500 3.803 3.518 4.087 . 0 0 "[ . 1 .]" 1
940 1 134 VAL MG2 1 168 ILE MD 3.500 . 4.500 2.139 2.114 2.168 . 0 0 "[ . 1 .]" 1
941 1 134 VAL MG2 1 168 ILE MG 3.500 . 4.500 2.245 2.131 2.307 . 0 0 "[ . 1 .]" 1
942 1 147 LEU MD1 1 165 MET ME 5.000 . 6.000 3.934 3.603 4.170 . 0 0 "[ . 1 .]" 1
943 1 147 LEU MD2 1 165 MET ME 5.000 . 6.000 3.584 3.284 3.783 . 0 0 "[ . 1 .]" 1
944 1 147 LEU MD1 1 168 ILE MD 5.000 . 6.000 4.764 4.651 4.882 . 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 17
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 35.049
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0348
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.1016
_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 5 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 28 SER 0.000 0.000 . 0 "[ . 1 .]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 57 PHE 0.006 0.003 12 0 "[ . 1 .]"
1 82 ILE 0.006 0.003 12 0 "[ . 1 .]"
1 89 PHE 0.170 0.051 8 0 "[ . 1 .]"
1 91 MET 2.160 0.204 13 0 "[ . 1 .]"
1 94 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 99 MET 0.000 0.000 . 0 "[ . 1 .]"
1 106 LEU 2.160 0.204 13 0 "[ . 1 .]"
1 125 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 131 HIS 0.170 0.051 8 0 "[ . 1 .]"
1 133 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 139 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 140 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 171 ILE 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 5 ILE MG 1 16 TYR QR 3.500 . 5.500 3.355 2.829 3.688 . 0 0 "[ . 1 .]" 2
2 1 16 TYR QR 1 17 HIS H 3.500 . 5.000 3.459 3.182 3.715 . 0 0 "[ . 1 .]" 2
3 1 16 TYR QR 1 17 HIS HA 5.000 . 6.500 3.232 3.090 3.349 . 0 0 "[ . 1 .]" 2
4 1 25 ASP H 1 29 TYR QR 5.000 . 5.000 4.600 4.312 4.896 . 0 0 "[ . 1 .]" 2
5 1 26 LEU HA 1 29 TYR QR 3.500 . 5.000 2.314 2.221 2.379 . 0 0 "[ . 1 .]" 2
6 1 26 LEU MD2 1 29 TYR QR 3.500 . 5.500 2.872 2.147 3.212 . 0 0 "[ . 1 .]" 2
7 1 28 SER QB 1 29 TYR QR 3.500 . 5.300 3.250 2.744 4.172 . 0 0 "[ . 1 .]" 2
8 1 57 PHE QR 1 82 ILE MD 2.700 . 4.700 3.283 1.940 4.703 0.003 12 0 "[ . 1 .]" 2
9 1 57 PHE QR 1 133 LEU MD2 3.500 . 5.500 2.741 2.235 3.632 . 0 0 "[ . 1 .]" 2
10 1 57 PHE QR 1 133 LEU MD1 5.000 . 7.000 3.299 2.772 4.290 . 0 0 "[ . 1 .]" 2
11 1 57 PHE QR 1 171 ILE MD 5.000 . 7.000 3.158 2.347 4.324 . 0 0 "[ . 1 .]" 2
12 1 57 PHE QR 1 171 ILE MG 3.500 . 5.500 3.126 2.180 4.439 . 0 0 "[ . 1 .]" 2
13 1 89 PHE QR 1 131 HIS H 3.500 . 4.100 1.924 1.749 2.553 0.051 8 0 "[ . 1 .]" 2
14 1 91 MET H 1 106 LEU QD 3.500 . 4.000 4.144 4.094 4.204 0.204 13 0 "[ . 1 .]" 2
15 1 94 TYR QR 1 99 MET HA 3.500 . 5.000 2.974 2.855 3.192 . 0 0 "[ . 1 .]" 2
16 1 94 TYR QR 1 125 CYS HA 3.500 . 5.000 3.230 2.318 3.868 . 0 0 "[ . 1 .]" 2
17 1 139 ASN HA 1 140 TYR QR 5.000 . 6.500 3.204 2.770 3.589 . 0 0 "[ . 1 .]" 2
stop_
save_
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