NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399253 |
1tvc   |
6295 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tvc
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 1384
_Distance_constraint_stats_list.Viol_count 1304
_Distance_constraint_stats_list.Viol_total 1628.866
_Distance_constraint_stats_list.Viol_max 0.969
_Distance_constraint_stats_list.Viol_rms 0.0548
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.1249
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 0.000 0.000 . 0 "[ . 1]"
1 2 ARG 0.000 0.000 . 0 "[ . 1]"
1 3 ILE 0.000 0.000 . 0 "[ . 1]"
1 4 SER 0.000 0.000 . 0 "[ . 1]"
1 5 PHE 0.000 0.000 . 0 "[ . 1]"
1 6 GLY 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.054 0.054 9 0 "[ . 1]"
1 8 VAL 3.678 0.275 7 0 "[ . 1]"
1 9 GLY 6.055 0.275 7 0 "[ . 1]"
1 10 SER 3.585 0.224 10 0 "[ . 1]"
1 11 PHE 4.688 0.290 8 0 "[ . 1]"
1 12 GLU 0.000 0.000 . 0 "[ . 1]"
1 13 ALA 3.848 0.316 6 0 "[ . 1]"
1 14 GLU 0.213 0.075 3 0 "[ . 1]"
1 15 VAL 0.235 0.096 1 0 "[ . 1]"
1 16 VAL 1.596 0.340 6 0 "[ . 1]"
1 17 GLY 2.151 0.288 6 0 "[ . 1]"
1 18 LEU 5.110 0.340 6 0 "[ . 1]"
1 19 ASN 0.209 0.086 6 0 "[ . 1]"
1 20 TRP 0.178 0.066 8 0 "[ . 1]"
1 21 VAL 1.606 0.132 2 0 "[ . 1]"
1 22 SER 1.330 0.132 2 0 "[ . 1]"
1 23 SER 1.812 0.290 2 0 "[ . 1]"
1 24 ASN 0.489 0.082 8 0 "[ . 1]"
1 25 THR 3.732 0.382 10 0 "[ . 1]"
1 26 VAL 2.229 0.382 10 0 "[ . 1]"
1 27 GLN 0.209 0.086 6 0 "[ . 1]"
1 28 PHE 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 0.246 0.080 2 0 "[ . 1]"
1 30 LEU 0.543 0.167 6 0 "[ . 1]"
1 31 GLN 0.235 0.102 3 0 "[ . 1]"
1 32 LYS 2.247 0.388 2 0 "[ . 1]"
1 33 ARG 2.868 0.388 2 0 "[ . 1]"
1 34 PRO 0.000 0.000 . 0 "[ . 1]"
1 35 ASP 3.787 0.605 9 5 "[* - .** +1]"
1 36 GLU 2.732 0.585 6 4 "[* - .+* 1]"
1 37 CYS 0.720 0.162 8 0 "[ . 1]"
1 38 GLY 1.881 0.605 9 1 "[ . +1]"
1 39 ASN 2.592 0.423 8 0 "[ . 1]"
1 40 ARG 2.386 0.327 10 0 "[ . 1]"
1 41 GLY 2.885 0.628 6 1 "[ .+ 1]"
1 42 VAL 4.157 0.401 5 0 "[ . 1]"
1 43 LYS 1.824 0.155 9 0 "[ . 1]"
1 44 PHE 1.152 0.321 6 0 "[ . 1]"
1 45 GLU 0.321 0.321 6 0 "[ . 1]"
1 46 PRO 0.000 0.000 . 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 GLN 0.000 0.000 . 0 "[ . 1]"
1 49 PHE 0.000 0.000 . 0 "[ . 1]"
1 50 MET 0.008 0.008 3 0 "[ . 1]"
1 51 ASP 1.671 0.234 1 0 "[ . 1]"
1 52 LEU 0.198 0.053 1 0 "[ . 1]"
1 53 THR 2.263 0.275 3 0 "[ . 1]"
1 54 ILE 2.019 0.197 5 0 "[ . 1]"
1 55 PRO 0.000 0.000 . 0 "[ . 1]"
1 56 GLY 2.437 0.311 4 0 "[ . 1]"
1 57 THR 7.988 0.609 7 9 "[*** **+-**]"
1 58 ASP 6.986 0.609 7 9 "[*** **+-**]"
1 59 VAL 0.853 0.327 3 0 "[ . 1]"
1 60 SER 4.730 0.335 3 0 "[ . 1]"
1 61 ARG 2.906 0.335 3 0 "[ . 1]"
1 62 SER 0.000 0.000 . 0 "[ . 1]"
1 63 TYR 0.000 0.000 . 0 "[ . 1]"
1 64 SER 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 0.000 0.000 . 0 "[ . 1]"
1 67 ASN 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 0.000 0.000 . 0 "[ . 1]"
1 69 PRO 0.777 0.136 10 0 "[ . 1]"
1 70 ASN 1.461 0.333 6 0 "[ . 1]"
1 71 PRO 2.304 0.628 6 1 "[ .+ 1]"
1 72 GLU 1.069 0.457 9 0 "[ . 1]"
1 73 GLY 2.047 0.457 9 0 "[ . 1]"
1 74 ARG 1.242 0.400 10 0 "[ . 1]"
1 75 LEU 1.265 0.230 2 0 "[ . 1]"
1 76 GLU 0.000 0.000 . 0 "[ . 1]"
1 77 PHE 0.246 0.080 2 0 "[ . 1]"
1 78 LEU 0.000 0.000 . 0 "[ . 1]"
1 79 ILE 0.593 0.215 4 0 "[ . 1]"
1 80 ARG 0.123 0.112 10 0 "[ . 1]"
1 81 VAL 2.266 0.261 6 0 "[ . 1]"
1 82 LEU 0.000 0.000 . 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 87 PHE 0.000 0.000 . 0 "[ . 1]"
1 88 SER 0.000 0.000 . 0 "[ . 1]"
1 89 ASP 0.000 0.000 . 0 "[ . 1]"
1 90 TYR 0.623 0.106 9 0 "[ . 1]"
1 91 LEU 0.992 0.201 5 0 "[ . 1]"
1 92 ARG 1.011 0.283 9 0 "[ . 1]"
1 93 ASN 0.000 0.000 . 0 "[ . 1]"
1 94 ASP 0.623 0.106 9 0 "[ . 1]"
1 95 ALA 1.546 0.283 9 0 "[ . 1]"
1 96 ARG 0.259 0.056 3 0 "[ . 1]"
1 97 VAL 1.206 0.197 9 0 "[ . 1]"
1 98 GLY 0.922 0.197 9 0 "[ . 1]"
1 99 GLN 0.604 0.122 2 0 "[ . 1]"
1 100 VAL 0.260 0.075 3 0 "[ . 1]"
1 101 LEU 3.792 0.316 6 0 "[ . 1]"
1 102 SER 0.000 0.000 . 0 "[ . 1]"
1 103 VAL 3.005 0.281 8 0 "[ . 1]"
1 104 LYS 4.096 0.290 8 0 "[ . 1]"
1 105 GLY 0.367 0.092 2 0 "[ . 1]"
1 107 LEU 0.000 0.000 . 0 "[ . 1]"
1 108 GLY 0.000 0.000 . 0 "[ . 1]"
1 109 VAL 5.531 0.657 1 6 "[+-* .*** 1]"
1 110 PHE 5.531 0.657 1 6 "[+-* .*** 1]"
1 111 GLY 0.000 0.000 . 0 "[ . 1]"
1 112 LEU 0.000 0.000 . 0 "[ . 1]"
1 113 LYS 0.000 0.000 . 0 "[ . 1]"
1 114 GLU 0.000 0.000 . 0 "[ . 1]"
1 115 ARG 1.156 0.177 7 0 "[ . 1]"
1 116 GLY 1.521 0.177 7 0 "[ . 1]"
1 117 MET 0.000 0.000 . 0 "[ . 1]"
1 118 ALA 0.007 0.007 3 0 "[ . 1]"
1 119 PRO 0.000 0.000 . 0 "[ . 1]"
1 120 ARG 0.481 0.054 1 0 "[ . 1]"
1 121 TYR 1.010 0.150 4 0 "[ . 1]"
1 122 PHE 0.000 0.000 . 0 "[ . 1]"
1 123 VAL 0.227 0.143 5 0 "[ . 1]"
1 124 ALA 0.145 0.054 9 0 "[ . 1]"
1 125 GLY 0.000 0.000 . 0 "[ . 1]"
1 126 GLY 2.541 0.215 2 0 "[ . 1]"
1 127 THR 0.264 0.187 9 0 "[ . 1]"
1 128 GLY 0.218 0.084 6 0 "[ . 1]"
1 129 LEU 3.765 0.303 8 0 "[ . 1]"
1 130 ALA 2.383 0.303 8 0 "[ . 1]"
1 131 PRO 1.237 0.189 5 0 "[ . 1]"
1 132 VAL 1.439 0.143 6 0 "[ . 1]"
1 133 VAL 0.880 0.090 6 0 "[ . 1]"
1 134 SER 0.000 0.000 . 0 "[ . 1]"
1 135 MET 1.237 0.189 5 0 "[ . 1]"
1 136 VAL 0.467 0.116 5 0 "[ . 1]"
1 137 ARG 0.116 0.116 5 0 "[ . 1]"
1 138 GLN 0.012 0.012 7 0 "[ . 1]"
1 139 MET 0.000 0.000 . 0 "[ . 1]"
1 140 GLN 0.000 0.000 . 0 "[ . 1]"
1 141 GLU 0.012 0.012 7 0 "[ . 1]"
1 142 TRP 1.164 0.665 7 1 "[ . + 1]"
1 143 THR 0.884 0.212 7 0 "[ . 1]"
1 144 ALA 0.814 0.212 7 0 "[ . 1]"
1 145 PRO 0.000 0.000 . 0 "[ . 1]"
1 146 ASN 0.000 0.000 . 0 "[ . 1]"
1 147 GLU 0.020 0.016 8 0 "[ . 1]"
1 148 THR 0.131 0.055 4 0 "[ . 1]"
1 149 ARG 0.000 0.000 . 0 "[ . 1]"
1 150 ILE 0.000 0.000 . 0 "[ . 1]"
1 151 TYR 0.227 0.143 5 0 "[ . 1]"
1 152 PHE 0.501 0.247 5 0 "[ . 1]"
1 153 GLY 0.905 0.158 3 0 "[ . 1]"
1 154 VAL 9.849 0.969 9 10 [*****-**+*]
1 155 ASN 0.079 0.045 1 0 "[ . 1]"
1 156 THR 0.262 0.093 6 0 "[ . 1]"
1 157 GLU 0.000 0.000 . 0 "[ . 1]"
1 158 PRO 0.000 0.000 . 0 "[ . 1]"
1 159 GLU 0.000 0.000 . 0 "[ . 1]"
1 160 LEU 1.160 0.215 9 0 "[ . 1]"
1 161 PHE 0.000 0.000 . 0 "[ . 1]"
1 162 TYR 0.000 0.000 . 0 "[ . 1]"
1 163 ILE 0.820 0.111 4 0 "[ . 1]"
1 164 ASP 0.079 0.042 6 0 "[ . 1]"
1 165 GLU 0.000 0.000 . 0 "[ . 1]"
1 166 LEU 1.576 0.244 6 0 "[ . 1]"
1 167 LYS 1.713 0.249 6 0 "[ . 1]"
1 168 SER 3.590 0.280 10 0 "[ . 1]"
1 169 LEU 4.334 0.244 6 0 "[ . 1]"
1 170 GLU 1.798 0.249 6 0 "[ . 1]"
1 171 ARG 1.573 0.261 6 0 "[ . 1]"
1 172 SER 3.850 0.280 10 0 "[ . 1]"
1 173 MET 0.523 0.148 1 0 "[ . 1]"
1 174 ARG 2.134 0.208 6 0 "[ . 1]"
1 175 ASN 3.956 0.653 1 1 "[+ . 1]"
1 176 LEU 1.691 0.653 1 1 "[+ . 1]"
1 177 THR 0.000 0.000 . 0 "[ . 1]"
1 178 VAL 0.007 0.007 4 0 "[ . 1]"
1 179 LYS 0.501 0.247 5 0 "[ . 1]"
1 180 ALA 0.000 0.000 . 0 "[ . 1]"
1 181 CYS 2.988 0.331 8 0 "[ . 1]"
1 182 VAL 7.401 0.776 9 10 [******-*+*]
1 183 TRP 7.014 0.776 9 10 [******-*+*]
1 184 HIS 0.088 0.021 4 0 "[ . 1]"
1 185 PRO 1.322 0.164 3 0 "[ . 1]"
1 186 SER 1.894 0.164 3 0 "[ . 1]"
1 187 GLY 3.060 0.181 8 0 "[ . 1]"
1 188 ASP 3.122 0.181 8 0 "[ . 1]"
1 189 TRP 2.526 0.202 6 0 "[ . 1]"
1 190 GLU 0.000 0.000 . 0 "[ . 1]"
1 191 GLY 0.360 0.197 9 0 "[ . 1]"
1 192 GLU 11.878 0.969 9 10 [*****-**+*]
1 193 GLN 1.926 0.243 3 0 "[ . 1]"
1 194 GLY 0.443 0.080 7 0 "[ . 1]"
1 195 SER 0.443 0.080 7 0 "[ . 1]"
1 197 ILE 0.967 0.285 3 0 "[ . 1]"
1 198 ASP 0.000 0.000 . 0 "[ . 1]"
1 199 ALA 0.000 0.000 . 0 "[ . 1]"
1 200 LEU 0.131 0.131 10 0 "[ . 1]"
1 201 ARG 0.000 0.000 . 0 "[ . 1]"
1 202 GLU 2.564 0.295 6 0 "[ . 1]"
1 203 ASP 2.056 0.266 6 0 "[ . 1]"
1 204 LEU 0.693 0.084 9 0 "[ . 1]"
1 205 GLU 2.564 0.295 6 0 "[ . 1]"
1 206 SER 2.174 0.266 6 0 "[ . 1]"
1 207 SER 0.256 0.067 2 0 "[ . 1]"
1 208 ASP 0.365 0.182 10 0 "[ . 1]"
1 209 ALA 2.072 0.282 2 0 "[ . 1]"
1 210 ASN 1.848 0.282 2 0 "[ . 1]"
1 211 PRO 0.071 0.050 6 0 "[ . 1]"
1 212 ASP 0.000 0.000 . 0 "[ . 1]"
1 213 ILE 3.305 0.307 10 0 "[ . 1]"
1 214 TYR 0.000 0.000 . 0 "[ . 1]"
1 215 LEU 0.557 0.199 7 0 "[ . 1]"
1 216 CYS 0.867 0.199 7 0 "[ . 1]"
1 217 GLY 0.000 0.000 . 0 "[ . 1]"
1 218 PRO 0.000 0.000 . 0 "[ . 1]"
1 219 PRO 0.000 0.000 . 0 "[ . 1]"
1 220 GLY 3.335 0.315 7 0 "[ . 1]"
1 221 MET 0.000 0.000 . 0 "[ . 1]"
1 222 ILE 0.702 0.108 10 0 "[ . 1]"
1 223 ASP 2.647 0.315 7 0 "[ . 1]"
1 224 ALA 1.187 0.224 4 0 "[ . 1]"
1 225 ALA 0.015 0.015 5 0 "[ . 1]"
1 226 CYS 0.000 0.000 . 0 "[ . 1]"
1 227 GLU 0.083 0.050 5 0 "[ . 1]"
1 228 LEU 1.031 0.097 2 0 "[ . 1]"
1 229 VAL 0.000 0.000 . 0 "[ . 1]"
1 230 ARG 0.058 0.050 5 0 "[ . 1]"
1 231 SER 0.026 0.018 5 0 "[ . 1]"
1 232 ARG 0.144 0.084 9 0 "[ . 1]"
1 233 GLY 0.346 0.052 3 0 "[ . 1]"
1 234 ILE 0.907 0.123 2 0 "[ . 1]"
1 235 PRO 0.001 0.001 7 0 "[ . 1]"
1 236 GLY 0.201 0.103 2 0 "[ . 1]"
1 237 GLU 0.011 0.011 6 0 "[ . 1]"
1 238 GLN 0.253 0.197 2 0 "[ . 1]"
1 239 VAL 2.348 0.539 6 2 "[ - .+ 1]"
1 240 PHE 3.182 0.539 6 2 "[ - .+ 1]"
1 241 PHE 0.000 0.000 . 0 "[ . 1]"
1 242 GLU 0.209 0.108 2 0 "[ . 1]"
1 243 LYS 0.000 0.000 . 0 "[ . 1]"
1 244 PHE 0.000 0.000 . 0 "[ . 1]"
1 245 LEU 0.826 0.215 3 0 "[ . 1]"
1 246 PRO 1.406 0.399 4 0 "[ . 1]"
1 247 SER 2.226 0.410 10 0 "[ . 1]"
1 248 GLY 3.966 0.410 10 0 "[ . 1]"
1 249 ALA 1.412 0.168 8 0 "[ . 1]"
1 250 ALA 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 1 CYS HA 1 2 ARG H 4.820 . 5.320 2.709 2.162 3.526 . 0 0 "[ . 1]" 1
2 1 3 ILE H 1 3 ILE HB 3.300 . 3.800 2.950 2.499 3.733 . 0 0 "[ . 1]" 1
3 1 3 ILE HA 1 4 SER H 2.400 . 2.900 2.278 2.141 2.723 . 0 0 "[ . 1]" 1
4 1 3 ILE HB 1 3 ILE QG 2.400 . 2.900 2.344 2.180 2.541 . 0 0 "[ . 1]" 1
5 1 3 ILE HB 1 4 SER H 3.980 . 4.480 3.977 3.245 4.468 . 0 0 "[ . 1]" 1
6 1 3 ILE MG 1 4 SER H 4.730 . 5.230 2.875 1.827 3.981 . 0 0 "[ . 1]" 1
7 1 3 ILE MG 1 5 PHE H 6.530 . 7.030 4.533 2.072 5.696 . 0 0 "[ . 1]" 1
8 1 4 SER HA 1 5 PHE H 2.400 . 2.900 2.472 2.139 2.880 . 0 0 "[ . 1]" 1
9 1 4 SER QB 1 5 PHE H 6.280 . 6.780 3.318 2.173 3.968 . 0 0 "[ . 1]" 1
10 1 5 PHE H 1 5 PHE HA 2.900 . 3.400 2.638 2.272 2.943 . 0 0 "[ . 1]" 1
11 1 5 PHE H 1 5 PHE QB . . 3.710 2.824 2.305 3.301 . 0 0 "[ . 1]" 1
12 1 5 PHE HA 1 6 GLY H 2.400 . 2.900 2.358 2.148 2.834 . 0 0 "[ . 1]" 1
13 1 6 GLY QA 1 7 GLU H 4.640 . 5.140 2.384 2.136 2.761 . 0 0 "[ . 1]" 1
14 1 7 GLU HA 1 7 GLU QB 2.400 . 2.900 2.363 2.178 2.538 . 0 0 "[ . 1]" 1
15 1 7 GLU HA 1 7 GLU QG 3.210 . 3.710 2.575 2.007 3.339 . 0 0 "[ . 1]" 1
16 1 7 GLU HA 1 8 VAL H 2.400 . 2.900 2.513 2.160 2.954 0.054 9 0 "[ . 1]" 1
17 1 8 VAL H 1 8 VAL HA 2.550 . 3.050 2.939 2.913 2.945 . 0 0 "[ . 1]" 1
18 1 8 VAL H 1 8 VAL HB 2.400 . 2.900 2.987 2.921 3.028 0.128 8 0 "[ . 1]" 1
19 1 8 VAL HA 1 8 VAL HB 2.930 . 3.430 2.836 2.331 2.976 . 0 0 "[ . 1]" 1
20 1 8 VAL HA 1 9 GLY H 2.400 . 2.900 2.152 2.086 2.178 . 0 0 "[ . 1]" 1
21 1 8 VAL HB 1 9 GLY H 3.520 . 4.020 4.187 4.150 4.295 0.275 7 0 "[ . 1]" 1
22 1 9 GLY H 1 9 GLY HA3 2.400 . 2.900 2.653 2.351 2.943 0.043 4 0 "[ . 1]" 1
23 1 9 GLY H 1 9 GLY HA2 2.400 . 2.900 2.714 2.298 2.947 0.047 8 0 "[ . 1]" 1
24 1 9 GLY H 1 10 SER H 2.430 . 2.930 2.275 1.855 2.744 . 0 0 "[ . 1]" 1
25 1 9 GLY HA3 1 10 SER H 2.700 . 3.200 3.403 3.380 3.424 0.224 10 0 "[ . 1]" 1
26 1 9 GLY HA2 1 10 SER H 2.400 . 2.900 3.000 2.964 3.031 0.131 8 0 "[ . 1]" 1
27 1 10 SER H 1 10 SER HA 2.650 . 3.150 2.940 2.922 2.948 . 0 0 "[ . 1]" 1
28 1 10 SER H 1 10 SER QB 3.400 . 3.900 2.695 2.277 3.161 . 0 0 "[ . 1]" 1
29 1 10 SER H 1 11 PHE QD 7.620 . 8.120 6.674 5.833 7.199 . 0 0 "[ . 1]" 1
30 1 10 SER HA 1 11 PHE H 2.400 . 2.900 2.295 2.275 2.350 . 0 0 "[ . 1]" 1
31 1 10 SER HA 1 104 LYS HA 2.990 . 3.490 1.935 1.850 2.197 . 0 0 "[ . 1]" 1
32 1 10 SER HA 1 104 LYS QB 6.380 . 6.880 2.659 2.083 3.857 . 0 0 "[ . 1]" 1
33 1 10 SER HA 1 105 GLY H 3.020 . 3.520 3.522 3.343 3.612 0.092 2 0 "[ . 1]" 1
34 1 10 SER QB 1 11 PHE H 3.620 . 4.120 2.954 2.665 3.472 . 0 0 "[ . 1]" 1
35 1 10 SER QB 1 104 LYS HA 5.880 . 6.380 3.330 2.730 3.891 . 0 0 "[ . 1]" 1
36 1 10 SER QB 1 104 LYS QB 7.250 . 7.750 2.447 1.823 4.755 . 0 0 "[ . 1]" 1
37 1 10 SER QB 1 104 LYS QG 6.380 . 6.880 2.042 1.620 3.046 0.180 1 0 "[ . 1]" 1
38 1 10 SER QB 1 104 LYS QD 7.250 . 7.750 2.809 1.844 3.420 . 0 0 "[ . 1]" 1
39 1 10 SER QB 1 104 LYS QE 7.250 . 7.750 3.496 1.803 4.422 . 0 0 "[ . 1]" 1
40 1 10 SER QB 1 105 GLY H 6.380 . 6.880 4.931 4.620 5.431 . 0 0 "[ . 1]" 1
41 1 11 PHE H 1 11 PHE HA 2.400 . 2.900 2.939 2.930 2.945 0.045 4 0 "[ . 1]" 1
42 1 11 PHE H 1 103 VAL H 2.400 . 2.900 3.105 3.036 3.181 0.281 8 0 "[ . 1]" 1
43 1 11 PHE H 1 104 LYS HA 2.400 . 2.900 3.125 3.033 3.190 0.290 8 0 "[ . 1]" 1
44 1 11 PHE H 1 104 LYS QB 5.040 . 5.540 4.087 3.190 4.982 . 0 0 "[ . 1]" 1
45 1 11 PHE HA 1 12 GLU H 2.520 . 3.020 2.393 2.280 2.446 . 0 0 "[ . 1]" 1
46 1 11 PHE QD 1 12 GLU H 5.610 . 6.110 2.440 1.866 2.963 . 0 0 "[ . 1]" 1
47 1 11 PHE QD 1 33 ARG H . . 5.000 3.925 3.093 4.208 . 0 0 "[ . 1]" 1
48 1 12 GLU H 1 12 GLU QB 3.020 . 3.120 2.362 2.245 2.525 . 0 0 "[ . 1]" 1
49 1 12 GLU H 1 12 GLU QG . . 4.110 3.313 2.953 3.576 . 0 0 "[ . 1]" 1
50 1 12 GLU HA 1 13 ALA H 2.400 . 2.900 2.168 2.134 2.198 . 0 0 "[ . 1]" 1
51 1 12 GLU HA 1 102 SER HA 3.700 . 4.200 2.389 1.910 3.121 . 0 0 "[ . 1]" 1
52 1 12 GLU HA 1 103 VAL H 4.510 . 5.010 3.476 3.234 3.625 . 0 0 "[ . 1]" 1
53 1 12 GLU QG 1 102 SER HA 5.500 . 6.000 3.522 3.134 3.815 . 0 0 "[ . 1]" 1
54 1 13 ALA H 1 101 LEU H 2.490 . 2.990 3.214 3.082 3.306 0.316 6 0 "[ . 1]" 1
55 1 13 ALA H 1 102 SER HA 3.980 . 4.480 3.004 2.316 3.670 . 0 0 "[ . 1]" 1
56 1 13 ALA H 1 103 VAL H 3.390 . 3.890 3.984 3.891 4.103 0.213 5 0 "[ . 1]" 1
57 1 13 ALA HA 1 14 GLU H 2.400 . 2.900 2.251 2.177 2.315 . 0 0 "[ . 1]" 1
58 1 13 ALA HA 1 31 GLN H 4.570 . 5.070 4.213 3.690 4.964 . 0 0 "[ . 1]" 1
59 1 13 ALA HA 1 32 LYS HA 3.980 . 4.480 3.688 1.801 4.443 . 0 0 "[ . 1]" 1
60 1 13 ALA HA 1 33 ARG H 2.930 . 3.430 3.445 3.204 3.606 0.176 10 0 "[ . 1]" 1
61 1 13 ALA MB 1 14 GLU H 3.490 . 3.990 2.858 2.625 3.161 . 0 0 "[ . 1]" 1
62 1 14 GLU H 1 14 GLU QB 3.310 . 3.810 2.345 2.220 2.691 . 0 0 "[ . 1]" 1
63 1 14 GLU H 1 30 LEU MD1 6.530 . 7.030 5.463 4.850 5.722 . 0 0 "[ . 1]" 1
64 1 14 GLU H 1 30 LEU MD2 6.530 . 7.030 4.376 3.251 5.262 . 0 0 "[ . 1]" 1
65 1 14 GLU H 1 31 GLN H 2.590 . 3.090 2.619 1.933 3.117 0.027 4 0 "[ . 1]" 1
66 1 14 GLU H 1 32 LYS HA 3.680 . 4.180 3.525 2.549 4.221 0.041 8 0 "[ . 1]" 1
67 1 14 GLU H 1 100 VAL QG 7.500 . 8.000 3.883 3.196 4.377 . 0 0 "[ . 1]" 1
68 1 14 GLU HA 1 15 VAL H 2.400 . 2.900 2.150 2.138 2.185 . 0 0 "[ . 1]" 1
69 1 14 GLU HA 1 100 VAL HA 3.860 . 4.360 2.379 1.971 2.688 . 0 0 "[ . 1]" 1
70 1 14 GLU HA 1 100 VAL HB 4.040 . 4.540 4.154 3.421 4.615 0.075 3 0 "[ . 1]" 1
71 1 14 GLU HA 1 100 VAL QG 6.690 . 7.190 2.529 1.927 3.118 . 0 0 "[ . 1]" 1
72 1 14 GLU HA 1 101 LEU H 3.110 . 3.610 3.359 3.167 3.603 . 0 0 "[ . 1]" 1
73 1 14 GLU QB 1 15 VAL H 3.770 . 4.270 3.665 3.397 3.827 . 0 0 "[ . 1]" 1
74 1 14 GLU QG 1 16 VAL MG1 4.580 . 5.080 3.339 2.778 3.662 . 0 0 "[ . 1]" 1
75 1 15 VAL H 1 15 VAL HA 2.990 . 3.490 2.847 2.839 2.862 . 0 0 "[ . 1]" 1
76 1 15 VAL H 1 100 VAL HA 4.540 . 5.040 2.638 2.440 2.903 . 0 0 "[ . 1]" 1
77 1 15 VAL HA 1 15 VAL MG1 3.430 . 3.930 2.338 2.168 2.481 . 0 0 "[ . 1]" 1
78 1 15 VAL HA 1 16 VAL H 2.520 . 3.020 2.143 2.114 2.182 . 0 0 "[ . 1]" 1
79 1 15 VAL HA 1 30 LEU MD2 4.610 . 5.110 1.897 1.744 2.091 0.056 6 0 "[ . 1]" 1
80 1 15 VAL HA 1 31 GLN H 5.190 . 5.690 4.241 3.513 4.687 . 0 0 "[ . 1]" 1
81 1 15 VAL MG1 1 30 LEU MD1 6.220 . 6.720 3.836 3.284 4.530 . 0 0 "[ . 1]" 1
82 1 15 VAL MG1 1 30 LEU MD2 . . 5.000 2.059 1.704 2.714 0.096 1 0 "[ . 1]" 1
83 1 16 VAL H 1 16 VAL HB 3.170 . 3.670 3.278 3.089 3.464 . 0 0 "[ . 1]" 1
84 1 16 VAL H 1 17 GLY H 2.400 . 2.900 1.922 1.789 2.258 0.011 4 0 "[ . 1]" 1
85 1 16 VAL H 1 18 LEU H 4.910 . 5.410 5.538 5.436 5.750 0.340 6 0 "[ . 1]" 1
86 1 16 VAL H 1 30 LEU HA 2.740 . 3.240 3.216 2.991 3.407 0.167 6 0 "[ . 1]" 1
87 1 16 VAL H 1 30 LEU MD2 3.860 . 4.360 3.108 2.633 3.434 . 0 0 "[ . 1]" 1
88 1 16 VAL HA 1 16 VAL HB 2.990 . 3.490 2.442 2.382 2.539 . 0 0 "[ . 1]" 1
89 1 16 VAL HA 1 17 GLY H 4.790 . 5.290 3.145 2.969 3.498 . 0 0 "[ . 1]" 1
90 1 16 VAL MG1 1 17 GLY HA3 5.440 . 5.940 3.706 3.443 4.032 . 0 0 "[ . 1]" 1
91 1 16 VAL MG1 1 17 GLY HA2 5.850 . 6.350 3.916 3.446 4.198 . 0 0 "[ . 1]" 1
92 1 17 GLY H 1 17 GLY HA3 2.650 . 3.150 2.511 2.306 2.658 . 0 0 "[ . 1]" 1
93 1 17 GLY H 1 17 GLY HA2 2.860 . 3.360 2.922 2.879 2.950 . 0 0 "[ . 1]" 1
94 1 17 GLY H 1 18 LEU H 3.480 . 3.980 3.866 3.695 4.007 0.027 7 0 "[ . 1]" 1
95 1 17 GLY H 1 29 LEU H 5.040 . 5.540 3.644 2.930 4.062 . 0 0 "[ . 1]" 1
96 1 17 GLY HA3 1 18 LEU H 2.400 . 2.900 2.309 2.062 3.188 0.288 6 0 "[ . 1]" 1
97 1 17 GLY HA3 1 29 LEU MD2 5.350 . 5.850 3.210 2.773 3.633 . 0 0 "[ . 1]" 1
98 1 17 GLY HA2 1 18 LEU H 2.400 . 2.900 2.883 2.032 3.145 0.245 2 0 "[ . 1]" 1
99 1 17 GLY HA2 1 29 LEU MD2 4.450 . 4.950 3.920 3.730 4.026 . 0 0 "[ . 1]" 1
100 1 18 LEU H 1 18 LEU QB 2.830 . 3.330 3.032 2.813 3.133 . 0 0 "[ . 1]" 1
101 1 18 LEU H 1 19 ASN H 3.920 . 4.420 2.887 2.520 3.262 . 0 0 "[ . 1]" 1
102 1 18 LEU HA 1 19 ASN H 2.400 . 2.900 2.298 2.087 2.599 . 0 0 "[ . 1]" 1
103 1 18 LEU HA 1 26 VAL MG1 5.470 . 5.970 4.930 4.780 5.026 . 0 0 "[ . 1]" 1
104 1 18 LEU HA 1 27 GLN H 4.850 . 5.350 4.351 3.851 4.752 . 0 0 "[ . 1]" 1
105 1 18 LEU HA 1 28 PHE HA 3.020 . 3.520 2.721 2.083 3.410 . 0 0 "[ . 1]" 1
106 1 18 LEU HA 1 29 LEU H 4.660 . 5.160 4.395 3.579 5.102 . 0 0 "[ . 1]" 1
107 1 18 LEU QB 1 19 ASN H 3.650 . 4.150 3.931 3.903 3.968 . 0 0 "[ . 1]" 1
108 1 18 LEU MD1 1 20 TRP HD1 4.950 . 5.450 3.499 2.307 4.358 . 0 0 "[ . 1]" 1
109 1 18 LEU MD1 1 20 TRP HZ2 4.230 . 4.730 3.893 3.799 3.990 . 0 0 "[ . 1]" 1
110 1 18 LEU MD1 1 26 VAL MG1 . . 6.000 3.879 3.348 4.203 . 0 0 "[ . 1]" 1
111 1 18 LEU MD1 1 26 VAL MG2 6.280 . 6.780 2.499 1.665 3.532 0.135 2 0 "[ . 1]" 1
112 1 18 LEU MD1 1 91 LEU HA 5.600 . 6.100 4.733 3.614 5.046 . 0 0 "[ . 1]" 1
113 1 18 LEU MD1 1 91 LEU QB 5.200 . 5.700 3.039 1.848 3.796 . 0 0 "[ . 1]" 1
114 1 18 LEU MD1 1 91 LEU MD2 . . 6.000 3.127 1.738 4.202 0.062 2 0 "[ . 1]" 1
115 1 18 LEU MD1 1 96 ARG HA 6.280 . 6.780 4.521 3.339 5.681 . 0 0 "[ . 1]" 1
116 1 18 LEU MD2 1 19 ASN HA 6.060 . 6.560 4.762 3.927 5.558 . 0 0 "[ . 1]" 1
117 1 18 LEU MD2 1 20 TRP HD1 5.290 . 5.790 4.582 3.301 4.904 . 0 0 "[ . 1]" 1
118 1 18 LEU MD2 1 20 TRP HZ2 6.160 . 6.660 4.923 4.459 5.344 . 0 0 "[ . 1]" 1
119 1 18 LEU MD2 1 26 VAL MG1 . . 6.000 3.399 2.712 4.174 . 0 0 "[ . 1]" 1
120 1 18 LEU MD2 1 26 VAL MG2 . . 6.000 2.214 1.574 3.059 0.226 1 0 "[ . 1]" 1
121 1 18 LEU MD2 1 91 LEU HA 6.530 . 7.030 4.219 2.856 5.719 . 0 0 "[ . 1]" 1
122 1 18 LEU MD2 1 91 LEU MD2 . . 5.000 2.453 1.599 3.570 0.201 5 0 "[ . 1]" 1
123 1 18 LEU MD2 1 96 ARG HA 6.430 . 6.930 5.189 3.761 5.897 . 0 0 "[ . 1]" 1
124 1 18 LEU QD 1 19 ASN QD . . 7.200 4.369 4.140 4.619 . 0 0 "[ . 1]" 1
125 1 18 LEU QD 1 20 TRP HE1 5.180 . 5.680 2.482 1.927 3.085 . 0 0 "[ . 1]" 1
126 1 19 ASN H 1 19 ASN HA 2.860 . 3.360 2.924 2.907 2.941 . 0 0 "[ . 1]" 1
127 1 19 ASN H 1 19 ASN QD 5.500 . 6.000 2.746 2.374 3.186 . 0 0 "[ . 1]" 1
128 1 19 ASN H 1 27 GLN H 2.800 . 3.300 3.116 2.500 3.386 0.086 6 0 "[ . 1]" 1
129 1 19 ASN H 1 28 PHE HA 3.700 . 4.200 3.680 3.347 4.133 . 0 0 "[ . 1]" 1
130 1 19 ASN HA 1 20 TRP H 2.400 . 2.900 2.256 2.216 2.304 . 0 0 "[ . 1]" 1
131 1 19 ASN QB 1 20 TRP H 4.110 . 4.610 3.077 2.811 3.278 . 0 0 "[ . 1]" 1
132 1 20 TRP H 1 20 TRP QB 2.860 . 3.020 2.525 2.443 2.594 . 0 0 "[ . 1]" 1
133 1 20 TRP H 1 20 TRP HD1 2.990 . 3.490 2.653 1.849 3.556 0.066 8 0 "[ . 1]" 1
134 1 20 TRP H 1 20 TRP HE1 5.500 . 6.000 4.609 4.391 4.856 . 0 0 "[ . 1]" 1
135 1 20 TRP HA 1 26 VAL HA 3.390 . 3.890 2.375 1.907 2.732 . 0 0 "[ . 1]" 1
136 1 20 TRP HA 1 26 VAL MG1 6.000 . 6.500 4.297 3.726 4.710 . 0 0 "[ . 1]" 1
137 1 20 TRP HA 1 26 VAL MG2 6.090 . 6.590 3.366 3.022 4.048 . 0 0 "[ . 1]" 1
138 1 20 TRP HA 1 27 GLN H 4.760 . 5.260 3.691 3.362 3.956 . 0 0 "[ . 1]" 1
139 1 20 TRP QB 1 21 VAL H . . 4.080 3.463 3.444 3.487 . 0 0 "[ . 1]" 1
140 1 20 TRP HE1 1 26 VAL MG1 6.530 . 7.030 4.980 3.991 5.800 . 0 0 "[ . 1]" 1
141 1 20 TRP HE1 1 26 VAL MG2 6.530 . 7.030 3.982 2.831 5.567 . 0 0 "[ . 1]" 1
142 1 20 TRP HZ2 1 92 ARG HA 4.290 . 4.790 4.397 3.120 4.812 0.022 6 0 "[ . 1]" 1
143 1 21 VAL H 1 21 VAL HA 2.400 . 2.900 2.901 2.848 2.925 0.025 10 0 "[ . 1]" 1
144 1 21 VAL H 1 21 VAL MG1 3.920 . 4.420 1.831 1.795 1.871 0.005 5 0 "[ . 1]" 1
145 1 21 VAL H 1 21 VAL MG2 3.430 . 3.930 2.991 2.389 3.185 . 0 0 "[ . 1]" 1
146 1 21 VAL H 1 22 SER H 2.490 . 2.990 2.139 2.008 2.377 . 0 0 "[ . 1]" 1
147 1 21 VAL H 1 25 THR MG 6.530 . 7.030 4.638 3.663 5.110 . 0 0 "[ . 1]" 1
148 1 21 VAL H 1 26 VAL HA 3.240 . 3.740 2.423 1.897 2.693 . 0 0 "[ . 1]" 1
149 1 21 VAL H 1 26 VAL MG2 6.530 . 7.030 4.307 4.061 4.746 . 0 0 "[ . 1]" 1
150 1 21 VAL HB 1 22 SER H 4.820 . 5.320 4.243 4.139 4.308 . 0 0 "[ . 1]" 1
151 1 21 VAL MG1 1 22 SER H 6.530 . 7.030 3.142 2.896 3.660 . 0 0 "[ . 1]" 1
152 1 21 VAL MG1 1 26 VAL H 4.390 . 4.890 3.906 3.755 3.970 . 0 0 "[ . 1]" 1
153 1 21 VAL MG1 1 27 GLN H 4.050 . 4.550 2.521 2.226 2.828 . 0 0 "[ . 1]" 1
154 1 21 VAL MG2 1 22 SER H 3.860 . 4.360 2.538 2.248 2.753 . 0 0 "[ . 1]" 1
155 1 21 VAL MG2 1 25 THR HB 4.980 . 5.480 2.331 1.767 2.688 0.033 6 0 "[ . 1]" 1
156 1 21 VAL MG2 1 25 THR MG 6.870 . 7.370 2.909 2.039 3.510 . 0 0 "[ . 1]" 1
157 1 21 VAL MG2 1 26 VAL H 5.630 . 6.130 4.755 3.371 5.008 . 0 0 "[ . 1]" 1
158 1 21 VAL MG2 1 27 GLN H 6.530 . 7.030 4.871 4.165 5.214 . 0 0 "[ . 1]" 1
159 1 22 SER H 1 22 SER HA 2.620 . 3.120 2.923 2.891 2.941 . 0 0 "[ . 1]" 1
160 1 22 SER H 1 22 SER QB 2.430 . 2.930 2.605 2.557 2.701 . 0 0 "[ . 1]" 1
161 1 22 SER H 1 25 THR H 2.930 . 3.430 3.334 2.982 3.485 0.055 5 0 "[ . 1]" 1
162 1 22 SER H 1 25 THR HB 4.010 . 4.510 2.799 2.185 3.118 . 0 0 "[ . 1]" 1
163 1 22 SER H 1 25 THR MG 6.530 . 7.030 4.316 3.578 4.626 . 0 0 "[ . 1]" 1
164 1 22 SER H 1 26 VAL MG2 6.530 . 7.030 5.746 5.459 5.967 . 0 0 "[ . 1]" 1
165 1 22 SER HA 1 23 SER H 2.400 . 2.900 2.546 2.470 2.645 . 0 0 "[ . 1]" 1
166 1 23 SER H 1 23 SER HA 2.400 . 2.900 2.765 2.752 2.809 . 0 0 "[ . 1]" 1
167 1 23 SER HA 1 24 ASN H 3.360 . 3.860 3.551 3.514 3.562 . 0 0 "[ . 1]" 1
168 1 24 ASN H 1 25 THR H 2.400 . 2.900 2.878 2.595 2.982 0.082 8 0 "[ . 1]" 1
169 1 24 ASN H 1 25 THR HB 4.910 . 5.410 4.736 4.175 4.940 . 0 0 "[ . 1]" 1
170 1 24 ASN HA 1 25 THR H 2.710 . 3.210 2.732 2.629 2.817 . 0 0 "[ . 1]" 1
171 1 25 THR H 1 25 THR HB 2.680 . 3.180 3.168 2.809 3.274 0.094 1 0 "[ . 1]" 1
172 1 25 THR H 1 26 VAL MG2 6.530 . 7.030 5.959 5.881 6.041 . 0 0 "[ . 1]" 1
173 1 25 THR HA 1 26 VAL H 2.400 . 2.900 2.183 2.137 2.221 . 0 0 "[ . 1]" 1
174 1 25 THR HA 1 26 VAL HB 4.170 . 4.670 4.744 4.647 5.052 0.382 10 0 "[ . 1]" 1
175 1 25 THR HA 1 26 VAL MG2 6.000 . 6.500 5.342 5.014 5.464 . 0 0 "[ . 1]" 1
176 1 25 THR HA 1 80 ARG HA 3.730 . 4.230 2.176 1.815 2.737 . 0 0 "[ . 1]" 1
177 1 25 THR HA 1 81 VAL H 5.040 . 5.540 2.681 2.268 3.390 . 0 0 "[ . 1]" 1
178 1 25 THR HB 1 26 VAL H 4.820 . 5.320 3.699 3.521 4.181 . 0 0 "[ . 1]" 1
179 1 25 THR MG 1 26 VAL H 3.740 . 4.240 2.652 2.493 2.844 . 0 0 "[ . 1]" 1
180 1 25 THR MG 1 80 ARG QG 5.850 . 6.350 2.437 1.688 4.479 0.112 10 0 "[ . 1]" 1
181 1 25 THR MG 1 127 THR MG 6.190 . 6.690 1.973 1.613 2.434 0.187 9 0 "[ . 1]" 1
182 1 26 VAL H 1 79 ILE H 3.950 . 4.450 3.625 3.209 4.024 . 0 0 "[ . 1]" 1
183 1 26 VAL H 1 80 ARG HA 4.760 . 5.260 3.440 2.930 4.094 . 0 0 "[ . 1]" 1
184 1 26 VAL H 1 81 VAL MG1 4.110 . 4.610 3.557 3.200 3.754 . 0 0 "[ . 1]" 1
185 1 26 VAL H 1 81 VAL MG2 6.120 . 6.620 3.856 2.533 4.461 . 0 0 "[ . 1]" 1
186 1 26 VAL HA 1 27 GLN H 2.430 . 2.930 2.199 2.116 2.235 . 0 0 "[ . 1]" 1
187 1 26 VAL MG1 1 27 GLN H 4.300 . 4.800 4.033 3.927 4.216 . 0 0 "[ . 1]" 1
188 1 26 VAL MG1 1 81 VAL MG2 7.560 . 8.000 2.299 1.748 2.830 0.052 9 0 "[ . 1]" 1
189 1 26 VAL MG1 1 91 LEU MD1 . . 6.000 2.374 1.668 3.128 0.132 5 0 "[ . 1]" 1
190 1 26 VAL MG1 1 91 LEU MD2 . . 6.000 3.214 1.802 4.098 . 0 0 "[ . 1]" 1
191 1 26 VAL MG2 1 27 GLN H 6.530 . 7.030 2.194 1.850 2.564 . 0 0 "[ . 1]" 1
192 1 26 VAL MG2 1 77 PHE QD 5.950 . 6.450 4.281 3.741 4.555 . 0 0 "[ . 1]" 1
193 1 26 VAL MG2 1 81 VAL MG1 7.560 . 8.000 3.501 2.952 3.839 . 0 0 "[ . 1]" 1
194 1 26 VAL MG2 1 81 VAL MG2 . . 6.000 4.025 3.701 4.184 . 0 0 "[ . 1]" 1
195 1 26 VAL MG2 1 91 LEU MD1 . . 6.000 2.929 1.940 3.992 . 0 0 "[ . 1]" 1
196 1 26 VAL MG2 1 91 LEU MD2 . . 6.000 3.258 1.877 4.064 . 0 0 "[ . 1]" 1
197 1 27 GLN HA 1 28 PHE H 2.680 . 3.180 2.169 2.154 2.186 . 0 0 "[ . 1]" 1
198 1 28 PHE H 1 28 PHE HA 2.680 . 3.180 2.933 2.913 2.947 . 0 0 "[ . 1]" 1
199 1 28 PHE H 1 77 PHE H 4.690 . 5.190 2.937 2.413 3.677 . 0 0 "[ . 1]" 1
200 1 28 PHE H 1 78 LEU HA 4.790 . 5.290 3.968 3.075 4.602 . 0 0 "[ . 1]" 1
201 1 28 PHE HA 1 29 LEU H 2.400 . 2.900 2.153 2.125 2.207 . 0 0 "[ . 1]" 1
202 1 28 PHE QD 1 29 LEU H 6.230 . 6.730 2.357 1.841 3.215 . 0 0 "[ . 1]" 1
203 1 28 PHE QD 1 79 ILE MD . . 6.000 4.542 4.464 4.674 . 0 0 "[ . 1]" 1
204 1 28 PHE QE 1 79 ILE MD 8.590 . 9.090 5.424 3.577 6.145 . 0 0 "[ . 1]" 1
205 1 29 LEU H 1 29 LEU QB 3.490 . 3.990 2.715 2.400 3.088 . 0 0 "[ . 1]" 1
206 1 29 LEU HA 1 30 LEU H 2.400 . 2.900 2.172 2.141 2.257 . 0 0 "[ . 1]" 1
207 1 29 LEU HA 1 77 PHE H 3.730 . 4.230 4.033 3.161 4.310 0.080 2 0 "[ . 1]" 1
208 1 29 LEU QB 1 77 PHE H 6.380 . 6.880 5.528 4.100 5.983 . 0 0 "[ . 1]" 1
209 1 29 LEU QD 1 77 PHE H 5.870 . 6.370 3.556 3.040 4.100 . 0 0 "[ . 1]" 1
210 1 30 LEU H 1 30 LEU HG 2.490 . 2.990 2.577 2.308 2.931 . 0 0 "[ . 1]" 1
211 1 30 LEU H 1 30 LEU MD1 3.740 . 4.240 3.459 3.321 3.599 . 0 0 "[ . 1]" 1
212 1 30 LEU H 1 75 LEU MD1 6.530 . 7.030 3.730 2.286 5.747 . 0 0 "[ . 1]" 1
213 1 30 LEU H 1 76 GLU HA 4.690 . 5.190 3.924 2.800 4.575 . 0 0 "[ . 1]" 1
214 1 30 LEU HA 1 31 GLN H 2.520 . 3.020 2.182 2.147 2.288 . 0 0 "[ . 1]" 1
215 1 30 LEU MD2 1 31 GLN H 4.360 . 4.860 3.873 3.203 4.042 . 0 0 "[ . 1]" 1
216 1 31 GLN HA 1 32 LYS H 2.680 . 3.180 2.199 2.144 2.287 . 0 0 "[ . 1]" 1
217 1 31 GLN HA 1 74 ARG HA 4.290 . 4.790 4.533 3.209 4.892 0.102 3 0 "[ . 1]" 1
218 1 31 GLN HA 1 75 LEU H 4.690 . 5.190 4.556 3.840 4.871 . 0 0 "[ . 1]" 1
219 1 31 GLN QG 1 74 ARG QG 6.280 . 6.290 3.754 2.728 4.781 . 0 0 "[ . 1]" 1
220 1 31 GLN QG 1 74 ARG QD 6.380 . 6.880 4.207 3.079 5.180 . 0 0 "[ . 1]" 1
221 1 32 LYS HA 1 33 ARG H 2.650 . 3.150 3.282 2.669 3.538 0.388 2 0 "[ . 1]" 1
222 1 33 ARG H 1 33 ARG QG 3.680 . 4.180 3.128 2.127 3.873 . 0 0 "[ . 1]" 1
223 1 33 ARG HA 1 34 PRO QD 4.920 . 5.420 2.592 1.888 3.570 . 0 0 "[ . 1]" 1
224 1 35 ASP H 1 35 ASP HA 2.590 . 3.090 2.794 2.586 2.951 . 0 0 "[ . 1]" 1
225 1 35 ASP H 1 35 ASP QB 3.520 . 3.710 2.858 2.347 3.228 . 0 0 "[ . 1]" 1
226 1 35 ASP H 1 37 CYS QB 5.000 . 5.500 4.553 3.432 5.035 . 0 0 "[ . 1]" 1
227 1 35 ASP HA 1 36 GLU H 2.400 . 2.900 3.050 2.631 3.485 0.585 6 4 "[* - .+* 1]" 1
228 1 35 ASP QB 1 36 GLU H 2.400 . 2.900 2.163 1.847 2.752 . 0 0 "[ . 1]" 1
229 1 35 ASP QB 1 37 CYS H 4.970 . 5.470 3.901 2.410 4.954 . 0 0 "[ . 1]" 1
230 1 36 GLU H 1 36 GLU HA 2.710 . 3.210 2.851 2.775 2.934 . 0 0 "[ . 1]" 1
231 1 36 GLU H 1 36 GLU QB 3.490 . 3.990 2.815 2.390 3.411 . 0 0 "[ . 1]" 1
232 1 36 GLU H 1 37 CYS H 3.020 . 3.520 3.090 1.871 3.682 0.162 8 0 "[ . 1]" 1
233 1 36 GLU HA 1 37 CYS H 2.990 . 3.490 2.721 2.465 3.519 0.029 3 0 "[ . 1]" 1
234 1 36 GLU QB 1 37 CYS H 5.010 . 5.510 3.737 2.752 3.994 . 0 0 "[ . 1]" 1
235 1 36 GLU QG 1 37 CYS H 6.380 . 6.880 4.288 3.450 4.624 . 0 0 "[ . 1]" 1
236 1 37 CYS H 1 37 CYS HA 2.550 . 3.050 2.859 2.738 2.952 . 0 0 "[ . 1]" 1
237 1 37 CYS H 1 37 CYS QB 2.770 . 2.930 2.761 2.413 2.980 0.050 10 0 "[ . 1]" 1
238 1 37 CYS H 1 38 GLY HA2 4.940 . 5.440 4.373 4.150 4.803 . 0 0 "[ . 1]" 1
239 1 37 CYS HA 1 38 GLY H 3.520 . 4.020 3.521 3.309 3.634 . 0 0 "[ . 1]" 1
240 1 37 CYS QB 1 38 GLY H 4.910 . 5.220 2.586 2.042 3.502 . 0 0 "[ . 1]" 1
241 1 38 GLY H 1 38 GLY HA3 2.400 . 2.900 2.638 2.316 2.908 0.008 3 0 "[ . 1]" 1
242 1 38 GLY H 1 38 GLY HA2 2.430 . 2.930 2.806 2.311 2.945 0.015 7 0 "[ . 1]" 1
243 1 38 GLY HA3 1 39 ASN H 3.420 . 3.920 3.132 2.300 3.601 . 0 0 "[ . 1]" 1
244 1 38 GLY HA2 1 39 ASN H 2.900 . 3.400 2.962 2.109 3.545 0.145 7 0 "[ . 1]" 1
245 1 39 ASN H 1 39 ASN HA 2.710 . 3.210 2.710 2.242 2.930 . 0 0 "[ . 1]" 1
246 1 39 ASN H 1 39 ASN QB 2.590 . 3.050 2.593 2.158 2.935 . 0 0 "[ . 1]" 1
247 1 39 ASN HA 1 40 ARG H 2.400 . 2.900 2.706 2.125 3.130 0.230 3 0 "[ . 1]" 1
248 1 39 ASN HA 1 41 GLY H 2.620 . 3.620 3.710 3.077 4.043 0.423 8 0 "[ . 1]" 1
249 1 39 ASN QB 1 40 ARG H 4.720 . 5.220 3.782 3.531 4.071 . 0 0 "[ . 1]" 1
250 1 40 ARG H 1 41 GLY H 2.710 . 3.210 2.443 1.735 2.993 0.065 10 0 "[ . 1]" 1
251 1 40 ARG H 1 41 GLY QA 6.380 . 6.880 4.304 3.590 4.795 . 0 0 "[ . 1]" 1
252 1 40 ARG H 1 42 VAL H 4.910 . 5.410 5.569 5.448 5.737 0.327 10 0 "[ . 1]" 1
253 1 40 ARG HA 1 40 ARG QD 4.700 . 5.200 2.871 1.854 4.266 . 0 0 "[ . 1]" 1
254 1 40 ARG HA 1 41 GLY H 3.390 . 3.890 3.296 2.843 3.546 . 0 0 "[ . 1]" 1
255 1 40 ARG QB 1 41 GLY H 6.380 . 6.880 3.293 2.487 3.812 . 0 0 "[ . 1]" 1
256 1 40 ARG QD 1 73 GLY HA3 6.380 . 6.880 5.527 3.748 6.260 . 0 0 "[ . 1]" 1
257 1 40 ARG QD 1 73 GLY HA2 5.880 . 6.380 5.238 3.815 5.757 . 0 0 "[ . 1]" 1
258 1 41 GLY HA3 1 71 PRO HA 3.520 . 4.020 3.203 2.017 4.160 0.140 6 0 "[ . 1]" 1
259 1 41 GLY HA2 1 71 PRO HA 3.270 . 3.770 2.468 1.782 4.398 0.628 6 1 "[ .+ 1]" 1
260 1 41 GLY QA 1 42 VAL H 3.280 . 3.780 2.241 2.077 2.402 . 0 0 "[ . 1]" 1
261 1 41 GLY QA 1 43 LYS H 6.380 . 6.880 5.718 5.471 5.796 . 0 0 "[ . 1]" 1
262 1 41 GLY QA 1 72 GLU H 4.490 . 4.990 2.882 1.836 4.159 . 0 0 "[ . 1]" 1
263 1 42 VAL H 1 43 LYS H 4.880 . 5.380 4.489 4.417 4.571 . 0 0 "[ . 1]" 1
264 1 42 VAL H 1 70 ASN H 3.170 . 3.670 3.721 2.852 4.003 0.333 6 0 "[ . 1]" 1
265 1 42 VAL H 1 71 PRO HA 2.710 . 3.210 2.783 1.898 3.611 0.401 5 0 "[ . 1]" 1
266 1 42 VAL HA 1 42 VAL MG1 3.580 . 4.080 2.194 1.913 2.578 . 0 0 "[ . 1]" 1
267 1 42 VAL HA 1 43 LYS H 2.400 . 2.900 2.382 2.167 2.472 . 0 0 "[ . 1]" 1
268 1 42 VAL HB 1 43 LYS H 2.430 . 2.930 2.576 2.125 3.021 0.091 7 0 "[ . 1]" 1
269 1 42 VAL HB 1 70 ASN H 4.600 . 5.100 3.384 1.866 5.106 0.006 5 0 "[ . 1]" 1
270 1 42 VAL QG 1 43 LYS H 5.420 . 5.920 2.668 1.876 3.197 . 0 0 "[ . 1]" 1
271 1 42 VAL QG 1 44 PHE H 7.620 . 8.120 3.646 2.129 5.730 . 0 0 "[ . 1]" 1
272 1 42 VAL QG 1 70 ASN H 5.050 . 5.550 2.889 1.787 4.157 0.013 8 0 "[ . 1]" 1
273 1 42 VAL QG 1 73 GLY H 6.850 . 7.350 3.722 1.705 5.040 0.095 8 0 "[ . 1]" 1
274 1 43 LYS H 1 43 LYS QB 2.430 . 2.930 2.660 2.329 2.850 . 0 0 "[ . 1]" 1
275 1 43 LYS HA 1 44 PHE H 2.400 . 2.900 2.858 2.257 3.055 0.155 9 0 "[ . 1]" 1
276 1 43 LYS HA 1 69 PRO HA 3.790 . 4.290 1.845 1.666 2.393 0.134 5 0 "[ . 1]" 1
277 1 43 LYS HA 1 69 PRO QB 2.860 . 3.360 3.137 2.438 3.496 0.136 10 0 "[ . 1]" 1
278 1 43 LYS QG 1 44 PHE H 4.700 . 5.200 3.510 1.873 4.544 . 0 0 "[ . 1]" 1
279 1 44 PHE H 1 69 PRO HA 4.820 . 5.320 3.101 1.780 4.534 0.020 6 0 "[ . 1]" 1
280 1 44 PHE HA 1 45 GLU H 2.590 . 3.090 2.481 2.145 3.411 0.321 6 0 "[ . 1]" 1
281 1 45 GLU H 1 45 GLU QB 2.520 . 2.960 2.335 2.130 2.437 . 0 0 "[ . 1]" 1
282 1 45 GLU H 1 45 GLU QG 4.110 . 4.610 3.631 3.036 4.115 . 0 0 "[ . 1]" 1
283 1 45 GLU H 1 46 PRO QD 6.380 . 6.880 4.341 4.230 4.391 . 0 0 "[ . 1]" 1
284 1 45 GLU HA 1 46 PRO QD 4.980 . 5.480 2.041 1.926 2.259 . 0 0 "[ . 1]" 1
285 1 47 GLY H 1 48 GLN H 3.920 . 4.420 3.117 2.790 3.437 . 0 0 "[ . 1]" 1
286 1 47 GLY HA3 1 48 GLN H 4.820 . 5.320 3.502 2.897 3.587 . 0 0 "[ . 1]" 1
287 1 47 GLY HA2 1 48 GLN H 5.100 . 5.600 2.696 2.410 3.518 . 0 0 "[ . 1]" 1
288 1 48 GLN H 1 48 GLN HA 2.740 . 3.240 2.748 2.639 2.857 . 0 0 "[ . 1]" 1
289 1 48 GLN H 1 48 GLN QG . . 4.170 3.378 2.930 3.832 . 0 0 "[ . 1]" 1
290 1 48 GLN HA 1 49 PHE H 2.620 . 3.120 2.343 2.157 2.615 . 0 0 "[ . 1]" 1
291 1 48 GLN QB 1 49 PHE H 5.940 . 6.440 3.063 2.604 3.769 . 0 0 "[ . 1]" 1
292 1 49 PHE HA 1 50 MET H 3.980 . 4.480 2.362 2.218 2.433 . 0 0 "[ . 1]" 1
293 1 49 PHE QB 1 50 MET H 4.690 . 5.100 2.738 2.374 3.605 . 0 0 "[ . 1]" 1
294 1 49 PHE QD 1 50 MET H 7.560 . 8.060 3.441 1.859 4.537 . 0 0 "[ . 1]" 1
295 1 49 PHE QD 1 108 GLY H 6.910 . 7.410 4.539 3.425 5.950 . 0 0 "[ . 1]" 1
296 1 49 PHE QD 1 108 GLY HA3 7.590 . 8.090 5.294 3.749 6.451 . 0 0 "[ . 1]" 1
297 1 49 PHE QD 1 108 GLY HA2 6.690 . 7.190 4.644 2.325 5.722 . 0 0 "[ . 1]" 1
298 1 49 PHE QD 1 109 VAL H 7.620 . 8.120 4.978 3.412 6.473 . 0 0 "[ . 1]" 1
299 1 50 MET H 1 51 ASP H 3.980 . 4.480 4.380 4.238 4.488 0.008 3 0 "[ . 1]" 1
300 1 50 MET H 1 63 TYR H 3.980 . 4.480 3.387 3.048 3.718 . 0 0 "[ . 1]" 1
301 1 50 MET H 1 64 SER HA 3.920 . 4.420 3.046 2.670 3.500 . 0 0 "[ . 1]" 1
302 1 50 MET HA 1 51 ASP H 2.430 . 2.930 2.611 2.214 2.902 . 0 0 "[ . 1]" 1
303 1 51 ASP H 1 51 ASP QB 3.110 . 3.520 2.592 2.389 2.943 . 0 0 "[ . 1]" 1
304 1 51 ASP H 1 104 LYS H 2.400 . 2.900 3.066 3.002 3.134 0.234 1 0 "[ . 1]" 1
305 1 51 ASP H 1 104 LYS QB 4.110 . 4.610 3.796 2.694 4.123 . 0 0 "[ . 1]" 1
306 1 51 ASP HA 1 52 LEU H 2.460 . 2.960 2.162 2.150 2.184 . 0 0 "[ . 1]" 1
307 1 51 ASP HA 1 63 TYR H 4.600 . 5.100 3.421 2.679 4.016 . 0 0 "[ . 1]" 1
308 1 51 ASP QB 1 104 LYS QB 6.380 . 6.880 3.060 1.876 3.842 . 0 0 "[ . 1]" 1
309 1 52 LEU H 1 52 LEU QB 3.170 . 3.550 2.710 2.564 2.762 . 0 0 "[ . 1]" 1
310 1 52 LEU H 1 61 ARG H 3.550 . 4.050 3.882 3.289 4.103 0.053 1 0 "[ . 1]" 1
311 1 52 LEU H 1 62 SER HA 4.850 . 5.350 2.819 2.138 4.033 . 0 0 "[ . 1]" 1
312 1 52 LEU HA 1 53 THR H 2.400 . 2.900 2.323 2.281 2.357 . 0 0 "[ . 1]" 1
313 1 52 LEU HA 1 103 VAL HA 3.640 . 4.140 3.460 2.845 4.146 0.006 9 0 "[ . 1]" 1
314 1 52 LEU HA 1 103 VAL MG1 6.530 . 7.030 5.313 4.232 5.771 . 0 0 "[ . 1]" 1
315 1 52 LEU QB 1 53 THR H . . 3.710 2.990 2.936 3.063 . 0 0 "[ . 1]" 1
316 1 52 LEU QB 1 104 LYS H 2.400 . 2.900 2.789 2.722 2.865 . 0 0 "[ . 1]" 1
317 1 52 LEU MD1 1 53 THR H 6.530 . 7.030 3.991 3.474 4.116 . 0 0 "[ . 1]" 1
318 1 52 LEU MD1 1 79 ILE MD 7.460 . 7.960 5.277 4.890 5.523 . 0 0 "[ . 1]" 1
319 1 52 LEU MD2 1 53 THR H 4.020 . 4.520 3.456 3.390 3.818 . 0 0 "[ . 1]" 1
320 1 52 LEU MD2 1 79 ILE MD 7.560 . 8.060 3.979 3.441 4.351 . 0 0 "[ . 1]" 1
321 1 52 LEU MD2 1 103 VAL HA 6.530 . 7.030 4.441 3.909 4.787 . 0 0 "[ . 1]" 1
322 1 53 THR H 1 53 THR HB 2.590 . 3.090 3.200 3.023 3.365 0.275 3 0 "[ . 1]" 1
323 1 53 THR H 1 53 THR MG 3.680 . 4.180 3.539 3.209 3.680 . 0 0 "[ . 1]" 1
324 1 53 THR HA 1 54 ILE H 2.620 . 3.120 2.317 2.301 2.335 . 0 0 "[ . 1]" 1
325 1 53 THR HA 1 60 SER HA 3.890 . 4.390 4.104 3.554 4.413 0.023 8 0 "[ . 1]" 1
326 1 53 THR HA 1 60 SER QB 5.340 . 5.840 1.711 1.637 1.851 0.163 9 0 "[ . 1]" 1
327 1 53 THR HA 1 61 ARG H 4.570 . 5.070 3.242 2.779 3.802 . 0 0 "[ . 1]" 1
328 1 53 THR MG 1 54 ILE H 3.460 . 3.960 2.885 2.517 3.273 . 0 0 "[ . 1]" 1
329 1 53 THR MG 1 58 ASP H 3.430 . 3.930 1.958 1.766 2.047 0.034 3 0 "[ . 1]" 1
330 1 53 THR MG 1 58 ASP HA 4.450 . 4.950 2.846 1.920 3.924 . 0 0 "[ . 1]" 1
331 1 53 THR MG 1 58 ASP QB 6.530 . 7.030 3.806 3.542 4.193 . 0 0 "[ . 1]" 1
332 1 53 THR MG 1 60 SER HA 6.530 . 7.030 3.069 2.303 3.518 . 0 0 "[ . 1]" 1
333 1 53 THR MG 1 61 ARG H 6.310 . 6.810 3.498 3.099 4.100 . 0 0 "[ . 1]" 1
334 1 54 ILE H 1 54 ILE HB 2.960 . 3.460 2.898 2.473 3.124 . 0 0 "[ . 1]" 1
335 1 54 ILE H 1 58 ASP H 4.880 . 5.380 5.484 5.407 5.577 0.197 5 0 "[ . 1]" 1
336 1 54 ILE H 1 60 SER HA 3.980 . 4.480 4.578 4.499 4.639 0.159 9 0 "[ . 1]" 1
337 1 54 ILE HA 1 57 THR MG 6.530 . 7.030 5.394 5.200 5.654 . 0 0 "[ . 1]" 1
338 1 54 ILE HB 1 57 THR MG 5.470 . 5.970 4.537 3.507 5.001 . 0 0 "[ . 1]" 1
339 1 54 ILE HB 1 91 LEU MD1 6.430 . 6.930 5.074 2.561 5.867 . 0 0 "[ . 1]" 1
340 1 54 ILE HB 1 91 LEU MD2 5.470 . 5.970 4.437 3.295 5.015 . 0 0 "[ . 1]" 1
341 1 54 ILE MG 1 57 THR MG 5.390 . 5.890 2.914 2.350 3.862 . 0 0 "[ . 1]" 1
342 1 54 ILE MG 1 90 TYR H 6.530 . 7.030 5.438 4.486 5.785 . 0 0 "[ . 1]" 1
343 1 54 ILE MD 1 57 THR MG 6.040 . 6.540 4.312 3.602 4.528 . 0 0 "[ . 1]" 1
344 1 54 ILE MD 1 91 LEU H 4.730 . 5.230 3.705 2.918 4.235 . 0 0 "[ . 1]" 1
345 1 54 ILE MD 1 91 LEU MD1 6.470 . 6.970 4.067 2.202 4.627 . 0 0 "[ . 1]" 1
346 1 55 PRO QB 1 56 GLY H 4.550 . 5.050 3.789 3.745 3.852 . 0 0 "[ . 1]" 1
347 1 55 PRO QB 1 101 LEU MD1 7.400 . 7.900 5.544 4.828 5.955 . 0 0 "[ . 1]" 1
348 1 56 GLY H 1 56 GLY HA3 2.460 . 2.960 2.941 2.935 2.946 . 0 0 "[ . 1]" 1
349 1 56 GLY H 1 56 GLY HA2 2.430 . 2.930 2.407 2.388 2.434 . 0 0 "[ . 1]" 1
350 1 56 GLY H 1 57 THR H 2.460 . 2.960 2.220 2.045 2.306 . 0 0 "[ . 1]" 1
351 1 56 GLY HA3 1 57 THR H 2.550 . 3.050 3.237 3.179 3.361 0.311 4 0 "[ . 1]" 1
352 1 56 GLY HA2 1 57 THR H 2.710 . 3.210 3.249 3.038 3.303 0.093 2 0 "[ . 1]" 1
353 1 57 THR H 1 57 THR HA 2.590 . 3.090 2.659 2.591 2.803 . 0 0 "[ . 1]" 1
354 1 57 THR H 1 57 THR MG 3.430 . 3.930 2.106 1.810 2.258 . 0 0 "[ . 1]" 1
355 1 57 THR HA 1 57 THR HB 2.830 . 3.330 2.425 2.359 2.489 . 0 0 "[ . 1]" 1
356 1 57 THR HA 1 58 ASP H 2.400 . 2.900 3.455 3.391 3.509 0.609 7 9 "[*** **+-**]" 1
357 1 57 THR HB 1 58 ASP H 2.400 . 2.900 2.527 2.408 2.717 . 0 0 "[ . 1]" 1
358 1 58 ASP H 1 58 ASP HA 2.430 . 2.930 2.801 2.683 2.912 . 0 0 "[ . 1]" 1
359 1 58 ASP H 1 58 ASP QB 3.210 . 3.710 3.196 2.980 3.466 . 0 0 "[ . 1]" 1
360 1 58 ASP H 1 59 VAL H 2.620 . 3.120 2.070 1.784 2.538 0.016 3 0 "[ . 1]" 1
361 1 58 ASP HA 1 58 ASP QB 2.400 . 2.900 2.296 2.150 2.535 . 0 0 "[ . 1]" 1
362 1 58 ASP HA 1 59 VAL H 2.620 . 3.120 2.919 2.749 3.447 0.327 3 0 "[ . 1]" 1
363 1 58 ASP QB 1 59 VAL H 4.940 . 5.440 3.879 3.533 4.048 . 0 0 "[ . 1]" 1
364 1 59 VAL H 1 59 VAL HB 2.650 . 3.150 3.118 2.819 3.277 0.127 7 0 "[ . 1]" 1
365 1 59 VAL HA 1 60 SER H 2.400 . 2.900 2.513 2.124 2.952 0.052 1 0 "[ . 1]" 1
366 1 60 SER H 1 60 SER QB 2.900 . 3.400 2.441 2.328 2.739 . 0 0 "[ . 1]" 1
367 1 60 SER HA 1 61 ARG H 2.700 . 3.200 3.471 3.427 3.535 0.335 3 0 "[ . 1]" 1
368 1 62 SER HA 1 63 TYR H 2.430 . 2.930 2.184 2.142 2.260 . 0 0 "[ . 1]" 1
369 1 63 TYR QD 1 128 GLY H 7.640 . 8.140 7.438 7.249 7.531 . 0 0 "[ . 1]" 1
370 1 63 TYR QD 1 130 ALA H 7.640 . 8.140 7.159 6.944 7.345 . 0 0 "[ . 1]" 1
371 1 66 ALA MB 1 67 ASN H 4.080 . 4.580 2.868 2.372 3.101 . 0 0 "[ . 1]" 1
372 1 66 ALA MB 1 130 ALA H 6.530 . 7.030 5.534 5.262 5.816 . 0 0 "[ . 1]" 1
373 1 66 ALA MB 1 130 ALA HA 5.160 . 5.660 4.610 4.290 4.767 . 0 0 "[ . 1]" 1
374 1 66 ALA MB 1 130 ALA MB 6.840 . 7.340 2.977 2.672 3.281 . 0 0 "[ . 1]" 1
375 1 67 ASN H 1 67 ASN QD 5.500 . 6.000 4.410 3.475 5.287 . 0 0 "[ . 1]" 1
376 1 68 LEU H 1 68 LEU HA 2.400 . 2.900 2.630 2.362 2.813 . 0 0 "[ . 1]" 1
377 1 69 PRO HA 1 70 ASN H 2.400 . 2.900 2.417 2.202 2.780 . 0 0 "[ . 1]" 1
378 1 70 ASN H 1 71 PRO HA 5.410 . 5.910 4.590 4.292 5.147 . 0 0 "[ . 1]" 1
379 1 70 ASN HA 1 71 PRO QG 5.970 . 6.470 3.885 3.675 4.283 . 0 0 "[ . 1]" 1
380 1 70 ASN HA 1 71 PRO QD . . 3.710 1.973 1.787 2.514 0.013 6 0 "[ . 1]" 1
381 1 70 ASN HA 1 72 GLU H 5.070 . 5.570 4.694 3.902 5.589 0.019 6 0 "[ . 1]" 1
382 1 70 ASN QB 1 71 PRO QD 6.380 . 6.880 2.668 1.723 3.335 0.077 2 0 "[ . 1]" 1
383 1 70 ASN QB 1 72 GLU H 5.350 . 5.850 3.862 2.811 5.201 . 0 0 "[ . 1]" 1
384 1 71 PRO HA 1 72 GLU H 5.000 . 5.500 2.675 2.137 3.487 . 0 0 "[ . 1]" 1
385 1 72 GLU H 1 72 GLU QB 3.280 . 3.780 2.810 2.476 3.148 . 0 0 "[ . 1]" 1
386 1 72 GLU H 1 73 GLY H 2.590 . 3.090 2.643 1.794 3.547 0.457 9 0 "[ . 1]" 1
387 1 72 GLU H 1 74 ARG H 4.760 . 5.260 4.978 4.672 5.301 0.041 7 0 "[ . 1]" 1
388 1 72 GLU HA 1 72 GLU QG 3.480 . 3.770 2.446 2.102 3.012 . 0 0 "[ . 1]" 1
389 1 72 GLU HA 1 73 GLY H 4.070 . 4.570 3.355 2.401 3.570 . 0 0 "[ . 1]" 1
390 1 72 GLU QB 1 73 GLY H 5.350 . 5.850 2.465 1.758 3.944 0.042 3 0 "[ . 1]" 1
391 1 73 GLY H 1 73 GLY HA3 2.770 . 3.270 2.774 2.310 2.944 . 0 0 "[ . 1]" 1
392 1 73 GLY H 1 73 GLY HA2 2.430 . 2.930 2.633 2.309 2.904 . 0 0 "[ . 1]" 1
393 1 73 GLY H 1 74 ARG H 2.650 . 3.150 2.988 1.946 3.550 0.400 10 0 "[ . 1]" 1
394 1 73 GLY HA3 1 74 ARG H 4.880 . 5.380 3.353 2.045 3.654 . 0 0 "[ . 1]" 1
395 1 73 GLY HA2 1 74 ARG H 4.510 . 5.010 2.576 2.145 3.215 . 0 0 "[ . 1]" 1
396 1 74 ARG H 1 74 ARG QB 2.650 . 3.090 2.628 2.054 2.815 . 0 0 "[ . 1]" 1
397 1 74 ARG H 1 74 ARG QG 2.960 . 3.460 3.225 3.137 3.274 . 0 0 "[ . 1]" 1
398 1 74 ARG HA 1 75 LEU H 2.400 . 2.900 2.267 2.167 2.364 . 0 0 "[ . 1]" 1
399 1 75 LEU H 1 75 LEU QB 3.620 . 4.120 2.346 2.128 3.020 . 0 0 "[ . 1]" 1
400 1 75 LEU H 1 75 LEU HG 2.550 . 3.050 2.964 2.005 3.280 0.230 2 0 "[ . 1]" 1
401 1 75 LEU H 1 75 LEU MD1 4.110 . 4.610 3.604 1.884 4.037 . 0 0 "[ . 1]" 1
402 1 75 LEU HA 1 75 LEU HG 4.140 . 4.640 3.468 2.839 3.737 . 0 0 "[ . 1]" 1
403 1 75 LEU HA 1 75 LEU MD2 4.020 . 4.520 3.578 1.957 4.030 . 0 0 "[ . 1]" 1
404 1 75 LEU HA 1 76 GLU H 2.400 . 2.900 2.133 2.074 2.192 . 0 0 "[ . 1]" 1
405 1 75 LEU QB 1 76 GLU H 4.180 . 4.680 3.200 2.725 3.436 . 0 0 "[ . 1]" 1
406 1 75 LEU MD1 1 76 GLU H 4.610 . 5.110 3.170 2.254 4.442 . 0 0 "[ . 1]" 1
407 1 76 GLU HA 1 77 PHE H 2.460 . 2.960 2.203 2.124 2.326 . 0 0 "[ . 1]" 1
408 1 76 GLU QB 1 77 PHE H 5.940 . 6.440 3.273 2.765 3.867 . 0 0 "[ . 1]" 1
409 1 79 ILE H 1 79 ILE HB 2.830 . 3.330 2.613 2.166 3.545 0.215 4 0 "[ . 1]" 1
410 1 79 ILE HA 1 80 ARG H 2.830 . 3.330 2.137 2.088 2.171 . 0 0 "[ . 1]" 1
411 1 80 ARG HA 1 81 VAL H 2.860 . 3.360 2.173 2.118 2.214 . 0 0 "[ . 1]" 1
412 1 80 ARG QD 1 81 VAL MG1 7.400 . 7.900 5.728 5.589 5.809 . 0 0 "[ . 1]" 1
413 1 80 ARG QD 1 81 VAL MG2 7.400 . 7.900 5.591 5.413 5.855 . 0 0 "[ . 1]" 1
414 1 81 VAL H 1 81 VAL HB 2.900 . 3.400 3.621 3.520 3.661 0.261 6 0 "[ . 1]" 1
415 1 81 VAL HA 1 81 VAL MG1 3.430 . 3.930 2.486 2.173 2.567 . 0 0 "[ . 1]" 1
416 1 81 VAL HA 1 82 LEU H 2.680 . 3.180 2.197 2.154 2.224 . 0 0 "[ . 1]" 1
417 1 82 LEU H 1 82 LEU MD1 3.950 . 4.450 3.199 1.939 3.692 . 0 0 "[ . 1]" 1
418 1 82 LEU H 1 82 LEU MD2 4.360 . 4.860 3.801 3.064 4.097 . 0 0 "[ . 1]" 1
419 1 82 LEU HA 1 82 LEU MD2 4.390 . 4.890 3.011 1.849 4.037 . 0 0 "[ . 1]" 1
420 1 86 ARG HA 1 86 ARG QD 4.360 . 4.860 3.169 1.940 4.115 . 0 0 "[ . 1]" 1
421 1 87 PHE H 1 88 SER H 4.570 . 5.070 2.251 1.878 2.571 . 0 0 "[ . 1]" 1
422 1 88 SER H 1 89 ASP H 4.010 . 4.510 2.561 2.435 2.670 . 0 0 "[ . 1]" 1
423 1 89 ASP H 1 89 ASP HA 2.650 . 3.150 2.872 2.868 2.880 . 0 0 "[ . 1]" 1
424 1 89 ASP H 1 89 ASP QB 2.520 . 3.020 2.156 2.076 2.424 . 0 0 "[ . 1]" 1
425 1 89 ASP H 1 90 TYR H 3.140 . 3.640 2.372 2.316 2.413 . 0 0 "[ . 1]" 1
426 1 89 ASP QB 1 90 TYR H 2.520 . 3.020 2.677 2.522 2.841 . 0 0 "[ . 1]" 1
427 1 90 TYR H 1 90 TYR QB 2.490 . 2.990 2.122 2.012 2.198 . 0 0 "[ . 1]" 1
428 1 90 TYR H 1 91 LEU H 2.550 . 3.050 2.524 2.404 2.802 . 0 0 "[ . 1]" 1
429 1 90 TYR HA 1 93 ASN H 4.720 . 5.220 3.413 3.177 3.774 . 0 0 "[ . 1]" 1
430 1 90 TYR HA 1 94 ASP H 3.170 . 3.670 3.732 3.689 3.776 0.106 9 0 "[ . 1]" 1
431 1 90 TYR HA 1 94 ASP QB 3.270 . 3.770 2.938 2.468 3.220 . 0 0 "[ . 1]" 1
432 1 90 TYR QB 1 91 LEU H 4.690 . 5.190 2.749 2.343 2.978 . 0 0 "[ . 1]" 1
433 1 91 LEU H 1 91 LEU MD1 4.330 . 4.830 3.388 1.841 4.070 . 0 0 "[ . 1]" 1
434 1 91 LEU H 1 92 ARG H 3.300 . 3.800 2.651 2.588 2.737 . 0 0 "[ . 1]" 1
435 1 91 LEU HA 1 95 ALA H 3.980 . 4.480 3.612 2.685 4.229 . 0 0 "[ . 1]" 1
436 1 91 LEU HA 1 95 ALA MB 4.260 . 4.760 2.039 1.694 2.738 0.106 10 0 "[ . 1]" 1
437 1 91 LEU MD2 1 95 ALA H 6.530 . 7.030 5.174 4.464 5.917 . 0 0 "[ . 1]" 1
438 1 91 LEU MD2 1 95 ALA MB 6.250 . 6.750 2.863 1.794 3.989 0.006 1 0 "[ . 1]" 1
439 1 92 ARG H 1 93 ASN H 3.670 . 4.170 2.291 2.256 2.313 . 0 0 "[ . 1]" 1
440 1 92 ARG HA 1 92 ARG QG 3.240 . 3.740 2.042 1.991 2.370 . 0 0 "[ . 1]" 1
441 1 92 ARG HA 1 92 ARG QD . . 3.860 3.429 3.297 3.541 . 0 0 "[ . 1]" 1
442 1 92 ARG HA 1 95 ALA H 2.990 . 3.490 3.573 3.361 3.773 0.283 9 0 "[ . 1]" 1
443 1 92 ARG QB 1 93 ASN H . . 3.400 3.044 2.891 3.148 . 0 0 "[ . 1]" 1
444 1 92 ARG QB 1 93 ASN QD 5.500 . 6.000 4.322 3.356 4.751 . 0 0 "[ . 1]" 1
445 1 93 ASN H 1 93 ASN HA 2.770 . 3.270 2.923 2.901 2.935 . 0 0 "[ . 1]" 1
446 1 93 ASN H 1 93 ASN QB 3.460 . 3.960 2.391 2.276 2.497 . 0 0 "[ . 1]" 1
447 1 93 ASN H 1 93 ASN QD 5.500 . 6.000 4.072 3.454 4.319 . 0 0 "[ . 1]" 1
448 1 93 ASN H 1 95 ALA H 4.510 . 5.010 3.695 3.541 3.892 . 0 0 "[ . 1]" 1
449 1 93 ASN QB 1 94 ASP H 3.740 . 4.240 3.303 3.135 3.459 . 0 0 "[ . 1]" 1
450 1 94 ASP H 1 94 ASP HA 2.710 . 3.210 2.900 2.812 2.946 . 0 0 "[ . 1]" 1
451 1 94 ASP H 1 95 ALA H 2.400 . 2.900 1.858 1.826 1.899 . 0 0 "[ . 1]" 1
452 1 94 ASP HA 1 95 ALA H 3.080 . 3.580 3.240 2.938 3.503 . 0 0 "[ . 1]" 1
453 1 94 ASP QB 1 95 ALA H 4.670 . 5.170 3.440 3.000 3.799 . 0 0 "[ . 1]" 1
454 1 95 ALA H 1 95 ALA HA 2.680 . 3.180 2.930 2.901 2.954 . 0 0 "[ . 1]" 1
455 1 95 ALA H 1 95 ALA MB 3.430 . 3.930 2.568 2.309 2.746 . 0 0 "[ . 1]" 1
456 1 95 ALA HA 1 96 ARG H 2.400 . 2.900 2.915 2.826 2.956 0.056 3 0 "[ . 1]" 1
457 1 95 ALA HA 1 99 GLN QE 5.500 . 6.000 3.572 2.089 5.048 . 0 0 "[ . 1]" 1
458 1 95 ALA MB 1 96 ARG H 3.680 . 4.180 3.608 3.584 3.644 . 0 0 "[ . 1]" 1
459 1 96 ARG H 1 96 ARG HA 2.590 . 3.090 2.798 2.726 2.924 . 0 0 "[ . 1]" 1
460 1 96 ARG H 1 96 ARG QB . . 3.270 2.216 2.047 2.679 . 0 0 "[ . 1]" 1
461 1 96 ARG H 1 96 ARG QG 4.420 . 4.920 3.109 1.861 3.925 . 0 0 "[ . 1]" 1
462 1 96 ARG HA 1 96 ARG QD 3.080 . 3.580 2.791 2.145 3.189 . 0 0 "[ . 1]" 1
463 1 96 ARG QB 1 97 VAL H 2.430 . 2.930 2.216 1.794 2.708 0.006 10 0 "[ . 1]" 1
464 1 96 ARG QB 1 99 GLN QG 6.380 . 6.810 5.260 5.043 5.434 . 0 0 "[ . 1]" 1
465 1 96 ARG QG 1 99 GLN QE 6.380 . 6.880 4.811 4.220 5.548 . 0 0 "[ . 1]" 1
466 1 97 VAL H 1 97 VAL HA 2.740 . 3.240 2.880 2.828 2.926 . 0 0 "[ . 1]" 1
467 1 97 VAL H 1 97 VAL HB 2.400 . 2.900 2.782 2.467 2.971 0.071 1 0 "[ . 1]" 1
468 1 97 VAL H 1 97 VAL MG1 3.600 . 4.100 3.100 1.780 3.737 0.020 4 0 "[ . 1]" 1
469 1 97 VAL H 1 97 VAL MG2 3.430 . 3.930 2.862 1.885 3.648 . 0 0 "[ . 1]" 1
470 1 97 VAL HA 1 98 GLY H 2.550 . 3.050 2.821 2.140 3.247 0.197 9 0 "[ . 1]" 1
471 1 97 VAL HA 1 99 GLN H 4.040 . 4.540 4.093 3.544 4.653 0.113 5 0 "[ . 1]" 1
472 1 97 VAL HB 1 98 GLY H 4.480 . 4.980 3.456 1.811 4.552 . 0 0 "[ . 1]" 1
473 1 97 VAL MG1 1 98 GLY H 3.710 . 4.210 2.665 1.834 3.400 . 0 0 "[ . 1]" 1
474 1 97 VAL MG2 1 98 GLY H 4.080 . 4.580 3.695 3.470 3.903 . 0 0 "[ . 1]" 1
475 1 98 GLY H 1 98 GLY HA3 2.680 . 3.180 2.724 2.445 2.921 . 0 0 "[ . 1]" 1
476 1 98 GLY H 1 98 GLY HA2 2.740 . 3.240 2.524 2.301 2.953 . 0 0 "[ . 1]" 1
477 1 98 GLY H 1 99 GLN H 2.860 . 3.360 2.836 1.847 3.482 0.122 2 0 "[ . 1]" 1
478 1 98 GLY HA3 1 99 GLN H 3.170 . 3.670 3.337 2.754 3.581 . 0 0 "[ . 1]" 1
479 1 98 GLY HA2 1 99 GLN H 4.720 . 5.220 3.021 2.613 3.570 . 0 0 "[ . 1]" 1
480 1 99 GLN H 1 99 GLN HA 2.800 . 3.300 2.838 2.689 2.915 . 0 0 "[ . 1]" 1
481 1 99 GLN H 1 99 GLN QB 2.400 . 2.900 2.562 2.214 2.779 . 0 0 "[ . 1]" 1
482 1 99 GLN H 1 99 GLN QG 4.330 . 4.830 2.948 1.819 4.087 . 0 0 "[ . 1]" 1
483 1 99 GLN H 1 99 GLN QE 5.500 . 6.000 3.653 1.864 4.979 . 0 0 "[ . 1]" 1
484 1 99 GLN HA 1 100 VAL H 2.400 . 2.900 2.599 2.385 2.832 . 0 0 "[ . 1]" 1
485 1 99 GLN QB 1 100 VAL H . . 2.960 2.174 1.919 2.419 . 0 0 "[ . 1]" 1
486 1 99 GLN QG 1 100 VAL H 6.380 . 6.880 3.168 2.036 4.085 . 0 0 "[ . 1]" 1
487 1 100 VAL H 1 100 VAL HB 2.400 . 2.900 2.843 2.639 2.952 0.052 1 0 "[ . 1]" 1
488 1 100 VAL HA 1 101 LEU H 2.430 . 2.930 2.249 2.206 2.298 . 0 0 "[ . 1]" 1
489 1 100 VAL QG 1 101 LEU H 4.770 . 5.270 2.264 1.969 2.527 . 0 0 "[ . 1]" 1
490 1 101 LEU H 1 101 LEU QB 2.550 . 3.050 2.622 2.437 3.053 0.003 10 0 "[ . 1]" 1
491 1 101 LEU H 1 101 LEU HG 2.620 . 3.120 3.133 2.370 3.349 0.229 5 0 "[ . 1]" 1
492 1 101 LEU HA 1 101 LEU HG 3.420 . 3.920 3.545 3.262 3.709 . 0 0 "[ . 1]" 1
493 1 101 LEU HA 1 102 SER H 2.400 . 2.900 2.188 2.133 2.293 . 0 0 "[ . 1]" 1
494 1 101 LEU MD1 1 103 VAL MG2 6.560 . 7.060 4.053 1.793 4.850 0.007 8 0 "[ . 1]" 1
495 1 101 LEU MD2 1 103 VAL MG1 6.190 . 6.690 3.655 3.305 4.606 . 0 0 "[ . 1]" 1
496 1 101 LEU QD 1 102 SER H 5.680 . 6.180 2.715 1.904 4.328 . 0 0 "[ . 1]" 1
497 1 102 SER H 1 102 SER HA 2.620 . 3.120 2.921 2.893 2.941 . 0 0 "[ . 1]" 1
498 1 102 SER H 1 102 SER QB 2.400 . 2.900 2.255 2.159 2.426 . 0 0 "[ . 1]" 1
499 1 102 SER HA 1 103 VAL H 2.400 . 2.900 2.162 2.115 2.196 . 0 0 "[ . 1]" 1
500 1 102 SER HA 1 103 VAL MG2 5.290 . 5.790 4.725 4.447 4.835 . 0 0 "[ . 1]" 1
501 1 102 SER QB 1 103 VAL H 4.450 . 4.510 3.542 3.156 3.989 . 0 0 "[ . 1]" 1
502 1 103 VAL H 1 103 VAL HA 2.550 . 3.050 2.937 2.907 2.952 . 0 0 "[ . 1]" 1
503 1 103 VAL H 1 103 VAL MG1 3.430 . 3.930 2.198 1.839 3.317 . 0 0 "[ . 1]" 1
504 1 103 VAL HA 1 104 LYS H 2.400 . 2.900 2.210 2.098 2.400 . 0 0 "[ . 1]" 1
505 1 103 VAL MG2 1 104 LYS H 3.430 . 3.930 3.159 2.656 3.349 . 0 0 "[ . 1]" 1
506 1 104 LYS H 1 104 LYS QB 3.280 . 3.780 2.781 2.528 3.095 . 0 0 "[ . 1]" 1
507 1 104 LYS HA 1 105 GLY H 2.400 . 2.900 2.221 2.127 2.453 . 0 0 "[ . 1]" 1
508 1 104 LYS QB 1 105 GLY H 5.350 . 5.850 3.365 2.388 3.913 . 0 0 "[ . 1]" 1
509 1 105 GLY HA3 1 107 LEU MD1 5.940 . 6.440 5.208 4.945 5.350 . 0 0 "[ . 1]" 1
510 1 105 GLY HA3 1 107 LEU MD2 6.060 . 6.560 4.012 2.906 4.873 . 0 0 "[ . 1]" 1
511 1 105 GLY HA2 1 107 LEU H 5.040 . 5.540 3.702 3.091 4.276 . 0 0 "[ . 1]" 1
512 1 105 GLY HA2 1 107 LEU MD1 6.090 . 6.590 5.047 4.053 5.531 . 0 0 "[ . 1]" 1
513 1 105 GLY HA2 1 107 LEU MD2 6.530 . 7.030 4.066 2.935 5.505 . 0 0 "[ . 1]" 1
514 1 107 LEU H 1 107 LEU MD2 3.430 . 3.930 2.998 2.697 3.265 . 0 0 "[ . 1]" 1
515 1 107 LEU HA 1 107 LEU MD1 3.860 . 4.360 3.130 1.801 3.861 . 0 0 "[ . 1]" 1
516 1 107 LEU HA 1 108 GLY H 2.400 . 2.900 2.419 2.388 2.463 . 0 0 "[ . 1]" 1
517 1 107 LEU MD1 1 108 GLY H 3.430 . 3.930 3.199 2.793 3.465 . 0 0 "[ . 1]" 1
518 1 108 GLY H 1 108 GLY HA3 2.860 . 3.360 2.500 2.422 2.693 . 0 0 "[ . 1]" 1
519 1 108 GLY H 1 108 GLY HA2 2.620 . 3.120 2.946 2.895 2.960 . 0 0 "[ . 1]" 1
520 1 108 GLY H 1 109 VAL H 4.540 . 5.040 4.442 4.131 4.510 . 0 0 "[ . 1]" 1
521 1 108 GLY HA3 1 109 VAL H 2.740 . 3.240 2.729 2.650 3.177 . 0 0 "[ . 1]" 1
522 1 108 GLY HA3 1 109 VAL MG2 6.530 . 7.030 4.966 4.120 5.807 . 0 0 "[ . 1]" 1
523 1 108 GLY HA2 1 109 VAL H 2.770 . 3.270 2.492 2.158 2.569 . 0 0 "[ . 1]" 1
524 1 108 GLY HA2 1 109 VAL MG1 4.730 . 5.230 3.814 3.431 4.109 . 0 0 "[ . 1]" 1
525 1 109 VAL H 1 109 VAL HA 2.990 . 3.490 2.911 2.871 2.935 . 0 0 "[ . 1]" 1
526 1 109 VAL H 1 110 PHE H 3.000 . 3.500 4.053 3.888 4.157 0.657 1 6 "[+-* .*** 1]" 1
527 1 109 VAL HA 1 109 VAL HB 2.770 . 3.270 2.519 2.379 2.626 . 0 0 "[ . 1]" 1
528 1 109 VAL HA 1 109 VAL MG1 3.430 . 3.930 2.700 2.044 3.194 . 0 0 "[ . 1]" 1
529 1 109 VAL HA 1 110 PHE H 2.680 . 3.180 2.101 2.078 2.139 . 0 0 "[ . 1]" 1
530 1 109 VAL QG 1 110 PHE H 5.790 . 6.290 3.178 2.578 3.634 . 0 0 "[ . 1]" 1
531 1 110 PHE H 1 110 PHE QB 3.170 . 3.550 2.478 2.293 2.737 . 0 0 "[ . 1]" 1
532 1 110 PHE HA 1 111 GLY H 2.400 . 2.900 2.154 2.113 2.261 . 0 0 "[ . 1]" 1
533 1 110 PHE QB 1 111 GLY H 4.790 . 5.290 3.328 2.978 3.503 . 0 0 "[ . 1]" 1
534 1 111 GLY QA 1 112 LEU H 3.650 . 4.150 2.537 2.257 2.891 . 0 0 "[ . 1]" 1
535 1 112 LEU H 1 112 LEU HA 2.740 . 3.240 2.907 2.864 2.941 . 0 0 "[ . 1]" 1
536 1 112 LEU H 1 112 LEU QB 2.990 . 3.490 2.692 2.139 3.136 . 0 0 "[ . 1]" 1
537 1 112 LEU H 1 112 LEU HG 5.040 . 5.540 3.099 2.157 4.121 . 0 0 "[ . 1]" 1
538 1 112 LEU HA 1 113 LYS H 2.400 . 2.900 2.109 2.085 2.129 . 0 0 "[ . 1]" 1
539 1 112 LEU HA 1 214 TYR QD 7.240 . 7.740 2.794 2.477 3.243 . 0 0 "[ . 1]" 1
540 1 112 LEU HG 1 113 LYS QD 4.240 . 4.740 4.167 3.968 4.316 . 0 0 "[ . 1]" 1
541 1 112 LEU HG 1 113 LYS QE 6.380 . 6.880 5.706 4.822 6.183 . 0 0 "[ . 1]" 1
542 1 112 LEU QD 1 113 LYS H 6.360 . 6.860 3.719 2.310 4.466 . 0 0 "[ . 1]" 1
543 1 112 LEU QD 1 113 LYS QD 6.740 . 7.240 3.829 3.480 4.425 . 0 0 "[ . 1]" 1
544 1 113 LYS H 1 240 PHE QD 6.380 . 6.880 2.607 1.851 3.495 . 0 0 "[ . 1]" 1
545 1 113 LYS HA 1 113 LYS QB 2.520 . 3.020 2.519 2.475 2.535 . 0 0 "[ . 1]" 1
546 1 113 LYS HA 1 113 LYS QD 3.930 . 4.430 2.157 1.862 2.712 . 0 0 "[ . 1]" 1
547 1 113 LYS HA 1 114 GLU H 2.930 . 3.430 2.131 2.116 2.146 . 0 0 "[ . 1]" 1
548 1 114 GLU HA 1 115 ARG H 2.400 . 2.900 2.203 2.179 2.215 . 0 0 "[ . 1]" 1
549 1 115 ARG H 1 116 GLY H 2.490 . 2.990 2.497 2.216 2.656 . 0 0 "[ . 1]" 1
550 1 115 ARG HA 1 115 ARG QB 2.620 . 3.120 2.447 2.402 2.494 . 0 0 "[ . 1]" 1
551 1 115 ARG HA 1 115 ARG QG 2.930 . 3.430 2.332 2.098 3.052 . 0 0 "[ . 1]" 1
552 1 115 ARG HA 1 116 GLY H 2.490 . 2.990 3.106 3.070 3.167 0.177 7 0 "[ . 1]" 1
553 1 115 ARG QG 1 116 GLY H 5.500 . 6.000 4.530 4.397 4.707 . 0 0 "[ . 1]" 1
554 1 116 GLY H 1 116 GLY HA3 2.400 . 2.900 2.936 2.922 2.942 0.042 10 0 "[ . 1]" 1
555 1 116 GLY H 1 116 GLY HA2 2.400 . 2.900 2.410 2.360 2.522 . 0 0 "[ . 1]" 1
556 1 117 MET HA 1 117 MET QG . . 4.020 2.494 2.100 3.333 . 0 0 "[ . 1]" 1
557 1 118 ALA H 1 118 ALA HA 2.400 . 2.900 2.868 2.847 2.907 0.007 3 0 "[ . 1]" 1
558 1 118 ALA H 1 118 ALA MB 3.430 . 3.930 2.781 2.719 2.838 . 0 0 "[ . 1]" 1
559 1 118 ALA H 1 119 PRO QD 5.500 . 6.000 4.231 4.149 4.284 . 0 0 "[ . 1]" 1
560 1 118 ALA HA 1 119 PRO QG 5.500 . 6.000 3.925 3.654 4.002 . 0 0 "[ . 1]" 1
561 1 118 ALA HA 1 119 PRO QD 3.610 . 4.110 2.031 1.843 2.103 . 0 0 "[ . 1]" 1
562 1 118 ALA MB 1 119 PRO QG 4.880 . 5.380 3.717 3.596 3.950 . 0 0 "[ . 1]" 1
563 1 118 ALA MB 1 119 PRO QD 4.790 . 5.110 2.266 2.104 2.472 . 0 0 "[ . 1]" 1
564 1 118 ALA MB 1 147 GLU H 6.530 . 7.030 5.816 5.580 5.941 . 0 0 "[ . 1]" 1
565 1 118 ALA MB 1 212 ASP H 6.120 . 6.620 5.139 4.728 5.453 . 0 0 "[ . 1]" 1
566 1 119 PRO HA 1 120 ARG H 2.830 . 3.330 2.197 2.159 2.275 . 0 0 "[ . 1]" 1
567 1 119 PRO HA 1 147 GLU H 4.820 . 5.320 4.184 3.799 4.451 . 0 0 "[ . 1]" 1
568 1 120 ARG H 1 120 ARG HA 2.400 . 2.900 2.948 2.941 2.954 0.054 1 0 "[ . 1]" 1
569 1 120 ARG H 1 147 GLU QB 5.880 . 6.380 4.306 4.010 5.031 . 0 0 "[ . 1]" 1
570 1 120 ARG H 1 148 THR HA 3.980 . 4.480 2.913 2.692 3.079 . 0 0 "[ . 1]" 1
571 1 120 ARG H 1 149 ARG H 4.070 . 4.570 3.151 2.862 3.704 . 0 0 "[ . 1]" 1
572 1 120 ARG H 1 212 ASP QB 6.220 . 6.720 4.969 4.780 5.463 . 0 0 "[ . 1]" 1
573 1 120 ARG HA 1 121 TYR H 2.400 . 2.900 2.289 2.166 2.391 . 0 0 "[ . 1]" 1
574 1 120 ARG HA 1 212 ASP H 4.760 . 5.260 3.885 3.618 4.074 . 0 0 "[ . 1]" 1
575 1 120 ARG QB 1 121 TYR H 6.190 . 6.690 2.886 2.640 3.205 . 0 0 "[ . 1]" 1
576 1 120 ARG QB 1 212 ASP H 6.380 . 6.880 4.390 3.883 4.859 . 0 0 "[ . 1]" 1
577 1 121 TYR H 1 212 ASP H 5.160 . 5.660 4.944 4.811 5.133 . 0 0 "[ . 1]" 1
578 1 121 TYR H 1 213 ILE HA 2.400 . 2.900 3.001 2.957 3.050 0.150 4 0 "[ . 1]" 1
579 1 121 TYR H 1 214 TYR H 5.160 . 5.660 3.583 3.444 3.706 . 0 0 "[ . 1]" 1
580 1 121 TYR H 1 214 TYR QD 7.640 . 8.140 4.410 4.223 4.532 . 0 0 "[ . 1]" 1
581 1 121 TYR HA 1 122 PHE H 2.460 . 2.960 2.159 2.112 2.239 . 0 0 "[ . 1]" 1
582 1 121 TYR HA 1 149 ARG H 4.510 . 5.010 3.224 2.836 3.584 . 0 0 "[ . 1]" 1
583 1 121 TYR QD 1 122 PHE H 7.550 . 8.050 4.533 4.396 4.691 . 0 0 "[ . 1]" 1
584 1 121 TYR QD 1 123 VAL QG 9.360 . 9.860 5.440 4.406 5.939 . 0 0 "[ . 1]" 1
585 1 121 TYR QD 1 149 ARG H 7.640 . 8.140 4.329 3.592 4.801 . 0 0 "[ . 1]" 1
586 1 121 TYR QD 1 200 LEU MD1 7.640 . 8.140 4.642 2.810 5.292 . 0 0 "[ . 1]" 1
587 1 121 TYR QD 1 213 ILE MD 8.670 . 9.170 3.059 2.402 3.866 . 0 0 "[ . 1]" 1
588 1 122 PHE H 1 122 PHE HA 2.460 . 2.960 2.940 2.932 2.949 . 0 0 "[ . 1]" 1
589 1 122 PHE H 1 122 PHE QB . . 3.580 2.500 2.394 2.554 . 0 0 "[ . 1]" 1
590 1 122 PHE H 1 149 ARG H 4.790 . 5.290 4.511 3.736 4.932 . 0 0 "[ . 1]" 1
591 1 122 PHE H 1 150 ILE HA 4.720 . 5.220 2.359 1.938 3.318 . 0 0 "[ . 1]" 1
592 1 122 PHE H 1 150 ILE QG 6.380 . 6.880 4.222 2.785 5.280 . 0 0 "[ . 1]" 1
593 1 122 PHE H 1 150 ILE MD 4.540 . 5.040 3.842 3.573 4.062 . 0 0 "[ . 1]" 1
594 1 122 PHE HA 1 123 VAL H 2.460 . 2.960 2.148 2.121 2.178 . 0 0 "[ . 1]" 1
595 1 122 PHE HA 1 214 TYR H 3.360 . 3.860 3.105 2.932 3.424 . 0 0 "[ . 1]" 1
596 1 122 PHE QD 1 123 VAL H 7.620 . 8.120 2.948 1.876 4.824 . 0 0 "[ . 1]" 1
597 1 123 VAL H 1 123 VAL HB 3.210 . 3.710 2.881 2.518 3.470 . 0 0 "[ . 1]" 1
598 1 123 VAL H 1 214 TYR H 5.280 . 5.780 4.068 3.724 4.483 . 0 0 "[ . 1]" 1
599 1 123 VAL H 1 215 LEU HA 4.600 . 5.100 2.710 2.379 2.952 . 0 0 "[ . 1]" 1
600 1 123 VAL H 1 216 CYS H 5.250 . 5.750 3.781 3.501 4.066 . 0 0 "[ . 1]" 1
601 1 123 VAL HA 1 124 ALA H 2.430 . 2.930 2.112 2.088 2.187 . 0 0 "[ . 1]" 1
602 1 123 VAL HA 1 151 TYR H 2.520 . 3.020 2.754 2.381 3.163 0.143 5 0 "[ . 1]" 1
603 1 123 VAL QG 1 124 ALA H 4.930 . 5.430 2.759 1.989 2.997 . 0 0 "[ . 1]" 1
604 1 124 ALA H 1 152 PHE HA 4.910 . 5.410 2.900 2.348 3.153 . 0 0 "[ . 1]" 1
605 1 124 ALA H 1 152 PHE QD 7.620 . 8.120 4.434 3.837 4.965 . 0 0 "[ . 1]" 1
606 1 124 ALA H 1 153 GLY H 4.600 . 5.100 4.297 4.023 4.754 . 0 0 "[ . 1]" 1
607 1 124 ALA HA 1 125 GLY H 2.800 . 3.300 2.183 2.173 2.198 . 0 0 "[ . 1]" 1
608 1 124 ALA HA 1 216 CYS H 2.400 . 2.900 2.795 2.408 2.954 0.054 9 0 "[ . 1]" 1
609 1 124 ALA MB 1 125 GLY H 6.530 . 7.030 3.047 2.995 3.094 . 0 0 "[ . 1]" 1
610 1 124 ALA MB 1 129 LEU HA 4.850 . 5.350 3.271 2.723 3.793 . 0 0 "[ . 1]" 1
611 1 124 ALA MB 1 129 LEU HG 4.050 . 4.550 3.829 3.654 3.928 . 0 0 "[ . 1]" 1
612 1 124 ALA MB 1 129 LEU MD1 6.440 . 6.940 2.273 1.943 2.520 . 0 0 "[ . 1]" 1
613 1 125 GLY H 1 216 CYS H 5.190 . 5.690 4.242 3.994 4.575 . 0 0 "[ . 1]" 1
614 1 125 GLY HA3 1 126 GLY H 3.700 . 4.200 3.404 3.394 3.410 . 0 0 "[ . 1]" 1
615 1 125 GLY HA3 1 153 GLY H 4.970 . 5.470 4.948 4.546 5.172 . 0 0 "[ . 1]" 1
616 1 125 GLY HA2 1 126 GLY H 4.630 . 5.130 2.171 2.162 2.179 . 0 0 "[ . 1]" 1
617 1 125 GLY HA2 1 153 GLY H 5.220 . 5.720 3.245 2.872 3.451 . 0 0 "[ . 1]" 1
618 1 126 GLY HA3 1 127 THR H 4.940 . 5.440 2.348 2.288 2.443 . 0 0 "[ . 1]" 1
619 1 126 GLY HA3 1 128 GLY H 4.880 . 5.380 3.227 3.119 3.385 . 0 0 "[ . 1]" 1
620 1 126 GLY HA3 1 154 VAL MG1 6.530 . 7.030 3.041 2.948 3.174 . 0 0 "[ . 1]" 1
621 1 126 GLY HA3 1 248 GLY HA3 3.860 . 4.360 4.150 3.793 4.316 . 0 0 "[ . 1]" 1
622 1 126 GLY HA2 1 127 THR H 5.280 . 5.780 2.831 2.719 2.923 . 0 0 "[ . 1]" 1
623 1 126 GLY HA2 1 128 GLY H 3.950 . 4.450 4.424 4.290 4.534 0.084 6 0 "[ . 1]" 1
624 1 126 GLY HA2 1 154 VAL MG1 6.530 . 7.030 1.713 1.662 1.794 0.138 3 0 "[ . 1]" 1
625 1 126 GLY HA2 1 248 GLY HA3 3.400 . 3.900 4.046 3.988 4.115 0.215 2 0 "[ . 1]" 1
626 1 127 THR H 1 128 GLY H 4.540 . 5.040 2.068 1.866 2.250 . 0 0 "[ . 1]" 1
627 1 127 THR HA 1 128 GLY H 4.850 . 5.350 3.382 3.334 3.473 . 0 0 "[ . 1]" 1
628 1 127 THR MG 1 128 GLY H 6.530 . 7.030 3.560 2.209 3.764 . 0 0 "[ . 1]" 1
629 1 127 THR MG 1 129 LEU H 3.770 . 4.270 3.823 3.759 3.969 . 0 0 "[ . 1]" 1
630 1 128 GLY H 1 128 GLY HA3 2.900 . 3.400 2.290 2.272 2.306 . 0 0 "[ . 1]" 1
631 1 128 GLY H 1 128 GLY HA2 2.740 . 3.240 2.828 2.816 2.842 . 0 0 "[ . 1]" 1
632 1 128 GLY H 1 129 LEU H 3.020 . 3.520 2.885 2.835 2.946 . 0 0 "[ . 1]" 1
633 1 128 GLY H 1 130 ALA H 4.970 . 5.470 4.652 4.586 4.714 . 0 0 "[ . 1]" 1
634 1 128 GLY HA3 1 129 LEU H 5.380 . 5.880 3.375 3.339 3.396 . 0 0 "[ . 1]" 1
635 1 128 GLY HA2 1 129 LEU H 5.070 . 5.570 3.184 3.165 3.206 . 0 0 "[ . 1]" 1
636 1 129 LEU H 1 129 LEU HG 5.500 . 6.000 3.827 3.731 4.031 . 0 0 "[ . 1]" 1
637 1 129 LEU H 1 130 ALA H 4.630 . 5.130 2.585 2.544 2.638 . 0 0 "[ . 1]" 1
638 1 129 LEU H 1 130 ALA HA 4.000 . 4.500 4.738 4.703 4.803 0.303 8 0 "[ . 1]" 1
639 1 129 LEU H 1 130 ALA MB 6.530 . 7.030 4.242 4.169 4.358 . 0 0 "[ . 1]" 1
640 1 129 LEU H 1 132 VAL HB 4.040 . 4.540 4.646 4.580 4.683 0.143 6 0 "[ . 1]" 1
641 1 129 LEU HG 1 133 VAL MG1 3.550 . 4.050 1.809 1.710 1.933 0.090 6 0 "[ . 1]" 1
642 1 129 LEU HG 1 133 VAL MG2 3.430 . 3.930 2.924 2.285 3.146 . 0 0 "[ . 1]" 1
643 1 129 LEU MD1 1 130 ALA H 6.530 . 7.030 4.805 4.738 4.848 . 0 0 "[ . 1]" 1
644 1 129 LEU MD1 1 132 VAL MG1 7.560 . 8.000 3.429 3.212 3.701 . 0 0 "[ . 1]" 1
645 1 129 LEU MD1 1 132 VAL MG2 7.560 . 8.060 4.477 4.216 4.765 . 0 0 "[ . 1]" 1
646 1 129 LEU MD1 1 133 VAL H 6.530 . 7.030 4.480 4.316 4.746 . 0 0 "[ . 1]" 1
647 1 129 LEU MD1 1 133 VAL HB 5.810 . 6.310 5.032 4.652 5.201 . 0 0 "[ . 1]" 1
648 1 129 LEU MD1 1 133 VAL MG1 . . 6.000 2.491 2.230 2.684 . 0 0 "[ . 1]" 1
649 1 129 LEU MD1 1 133 VAL MG2 . . 6.000 4.053 3.659 4.178 . 0 0 "[ . 1]" 1
650 1 129 LEU MD1 1 154 VAL MG1 5.700 . 6.200 4.167 4.111 4.262 . 0 0 "[ . 1]" 1
651 1 129 LEU MD2 1 130 ALA H 6.530 . 7.030 2.167 2.071 2.257 . 0 0 "[ . 1]" 1
652 1 129 LEU MD2 1 133 VAL H 6.530 . 7.030 3.997 3.512 4.276 . 0 0 "[ . 1]" 1
653 1 129 LEU MD2 1 133 VAL MG1 7.560 . 8.000 2.649 1.865 3.302 . 0 0 "[ . 1]" 1
654 1 129 LEU MD2 1 133 VAL MG2 7.560 . 8.000 2.987 2.333 3.457 . 0 0 "[ . 1]" 1
655 1 129 LEU MD2 1 152 PHE QD . . 8.000 4.366 3.803 4.916 . 0 0 "[ . 1]" 1
656 1 129 LEU MD2 1 154 VAL MG1 7.560 . 8.060 4.691 4.228 5.264 . 0 0 "[ . 1]" 1
657 1 129 LEU MD2 1 161 PHE QD 8.460 . 8.500 5.914 5.047 6.254 . 0 0 "[ . 1]" 1
658 1 130 ALA H 1 130 ALA HA 2.590 . 3.090 2.717 2.706 2.724 . 0 0 "[ . 1]" 1
659 1 130 ALA H 1 130 ALA MB 3.430 . 3.930 2.134 2.042 2.254 . 0 0 "[ . 1]" 1
660 1 130 ALA H 1 131 PRO QD . . 4.260 2.251 2.211 2.277 . 0 0 "[ . 1]" 1
661 1 130 ALA H 1 132 VAL H 4.880 . 5.380 3.957 3.917 4.008 . 0 0 "[ . 1]" 1
662 1 130 ALA HA 1 133 VAL H 4.630 . 5.130 3.593 3.433 4.041 . 0 0 "[ . 1]" 1
663 1 130 ALA MB 1 131 PRO HA 6.530 . 7.030 3.893 3.823 3.978 . 0 0 "[ . 1]" 1
664 1 130 ALA MB 1 131 PRO QB 7.400 . 7.900 4.235 3.841 4.380 . 0 0 "[ . 1]" 1
665 1 130 ALA MB 1 131 PRO QD 5.720 . 6.040 1.978 1.831 2.128 . 0 0 "[ . 1]" 1
666 1 131 PRO HA 1 132 VAL H 5.040 . 5.540 3.498 3.489 3.516 . 0 0 "[ . 1]" 1
667 1 131 PRO HA 1 134 SER H 2.990 . 3.490 3.298 3.168 3.470 . 0 0 "[ . 1]" 1
668 1 131 PRO HA 1 135 MET H 3.390 . 3.890 4.014 3.961 4.079 0.189 5 0 "[ . 1]" 1
669 1 131 PRO QB 1 132 VAL H 4.580 . 5.080 2.961 2.821 3.263 . 0 0 "[ . 1]" 1
670 1 132 VAL H 1 132 VAL HB 2.680 . 3.180 2.328 2.279 2.367 . 0 0 "[ . 1]" 1
671 1 132 VAL H 1 132 VAL MG1 4.300 . 4.800 3.708 3.681 3.728 . 0 0 "[ . 1]" 1
672 1 132 VAL H 1 132 VAL MG2 3.710 . 4.210 2.547 2.383 2.675 . 0 0 "[ . 1]" 1
673 1 132 VAL H 1 133 VAL H 2.830 . 3.330 2.604 2.551 2.749 . 0 0 "[ . 1]" 1
674 1 132 VAL HA 1 133 VAL H 3.020 . 3.520 3.538 3.523 3.559 0.039 3 0 "[ . 1]" 1
675 1 132 VAL HA 1 135 MET H 3.480 . 3.980 3.725 3.597 3.848 . 0 0 "[ . 1]" 1
676 1 132 VAL HB 1 133 VAL H 3.390 . 3.890 2.557 2.436 2.633 . 0 0 "[ . 1]" 1
677 1 132 VAL HB 1 216 CYS QB 6.380 . 6.880 4.279 3.836 4.852 . 0 0 "[ . 1]" 1
678 1 132 VAL MG1 1 136 VAL MG2 5.420 . 5.920 2.262 2.072 2.907 . 0 0 "[ . 1]" 1
679 1 132 VAL MG2 1 216 CYS QB 6.230 . 6.730 2.061 1.663 2.809 0.137 4 0 "[ . 1]" 1
680 1 133 VAL H 1 133 VAL HB 3.110 . 3.610 3.608 3.579 3.621 0.011 8 0 "[ . 1]" 1
681 1 133 VAL H 1 134 SER H 2.930 . 3.430 2.544 2.499 2.647 . 0 0 "[ . 1]" 1
682 1 133 VAL H 1 135 MET H 4.820 . 5.320 4.412 4.355 4.473 . 0 0 "[ . 1]" 1
683 1 133 VAL HA 1 136 VAL H 2.860 . 3.360 3.395 3.359 3.419 0.059 8 0 "[ . 1]" 1
684 1 133 VAL HA 1 137 ARG H 4.690 . 5.190 3.846 3.764 4.003 . 0 0 "[ . 1]" 1
685 1 133 VAL HB 1 134 SER H 5.190 . 5.690 3.798 3.547 3.889 . 0 0 "[ . 1]" 1
686 1 133 VAL QG 1 134 SER H 6.200 . 6.700 2.177 1.978 2.291 . 0 0 "[ . 1]" 1
687 1 134 SER H 1 134 SER QB 2.990 . 3.210 2.130 2.054 2.303 . 0 0 "[ . 1]" 1
688 1 134 SER HA 1 137 ARG H 4.820 . 5.320 3.538 3.308 3.892 . 0 0 "[ . 1]" 1
689 1 134 SER QB 1 135 MET H 4.720 . 4.980 2.603 2.396 3.078 . 0 0 "[ . 1]" 1
690 1 135 MET H 1 136 VAL H 4.880 . 5.380 2.639 2.558 2.699 . 0 0 "[ . 1]" 1
691 1 135 MET HA 1 138 GLN H 4.940 . 5.440 3.437 3.330 3.592 . 0 0 "[ . 1]" 1
692 1 135 MET QB 1 136 VAL H 6.160 . 6.660 2.574 2.430 2.811 . 0 0 "[ . 1]" 1
693 1 136 VAL H 1 136 VAL HA 2.860 . 3.360 2.810 2.798 2.831 . 0 0 "[ . 1]" 1
694 1 136 VAL H 1 136 VAL HB 2.400 . 2.900 2.463 2.094 2.720 . 0 0 "[ . 1]" 1
695 1 136 VAL H 1 136 VAL MG1 4.020 . 4.520 3.715 3.478 3.762 . 0 0 "[ . 1]" 1
696 1 136 VAL H 1 136 VAL MG2 3.640 . 4.140 2.329 1.895 3.043 . 0 0 "[ . 1]" 1
697 1 136 VAL H 1 137 ARG H 3.270 . 3.770 2.643 2.576 2.813 . 0 0 "[ . 1]" 1
698 1 136 VAL HA 1 139 MET H 4.630 . 5.130 3.396 3.198 3.693 . 0 0 "[ . 1]" 1
699 1 136 VAL HA 1 140 GLN QE 5.500 . 6.000 4.490 3.522 5.258 . 0 0 "[ . 1]" 1
700 1 136 VAL HB 1 137 ARG H 2.490 . 2.990 2.746 2.295 3.106 0.116 5 0 "[ . 1]" 1
701 1 136 VAL MG2 1 137 ARG H 6.530 . 7.030 3.913 3.595 4.231 . 0 0 "[ . 1]" 1
702 1 136 VAL MG2 1 148 THR MG 7.560 . 8.060 3.790 3.283 4.355 . 0 0 "[ . 1]" 1
703 1 136 VAL MG2 1 169 LEU MD1 6.660 . 7.160 4.533 4.055 4.879 . 0 0 "[ . 1]" 1
704 1 136 VAL MG2 1 169 LEU MD2 7.560 . 8.060 5.457 5.382 5.506 . 0 0 "[ . 1]" 1
705 1 137 ARG H 1 138 GLN H 4.600 . 5.100 2.629 2.547 2.667 . 0 0 "[ . 1]" 1
706 1 137 ARG HA 1 140 GLN H 3.050 . 3.550 3.388 3.225 3.545 . 0 0 "[ . 1]" 1
707 1 137 ARG QB 1 138 GLN H 3.930 . 4.430 2.804 2.746 2.867 . 0 0 "[ . 1]" 1
708 1 138 GLN H 1 138 GLN HA 2.830 . 3.330 2.825 2.809 2.846 . 0 0 "[ . 1]" 1
709 1 138 GLN H 1 138 GLN QB 3.590 . 4.090 2.138 2.048 2.437 . 0 0 "[ . 1]" 1
710 1 138 GLN H 1 139 MET H 3.020 . 3.520 2.635 2.572 2.719 . 0 0 "[ . 1]" 1
711 1 138 GLN HA 1 141 GLU H 3.170 . 3.670 3.468 3.260 3.682 0.012 7 0 "[ . 1]" 1
712 1 138 GLN QB 1 139 MET H 4.450 . 4.950 2.659 2.540 2.783 . 0 0 "[ . 1]" 1
713 1 139 MET H 1 139 MET HA 2.860 . 3.360 2.837 2.790 2.859 . 0 0 "[ . 1]" 1
714 1 139 MET H 1 140 GLN H 2.830 . 3.330 2.577 2.450 2.814 . 0 0 "[ . 1]" 1
715 1 139 MET HA 1 144 ALA MB 4.790 . 5.290 3.727 2.722 4.304 . 0 0 "[ . 1]" 1
716 1 139 MET QB 1 140 GLN H 3.280 . 3.780 2.910 2.565 3.329 . 0 0 "[ . 1]" 1
717 1 139 MET QG 1 148 THR H 6.380 . 6.880 5.879 5.031 6.207 . 0 0 "[ . 1]" 1
718 1 140 GLN H 1 140 GLN HA 2.900 . 3.400 2.847 2.788 2.863 . 0 0 "[ . 1]" 1
719 1 140 GLN H 1 141 GLU H 2.960 . 3.460 2.546 2.497 2.662 . 0 0 "[ . 1]" 1
720 1 140 GLN HA 1 140 GLN QG 2.650 . 3.150 2.227 1.911 2.683 . 0 0 "[ . 1]" 1
721 1 140 GLN QB 1 141 GLU H 3.830 . 4.330 2.861 2.533 3.022 . 0 0 "[ . 1]" 1
722 1 140 GLN QE 1 148 THR HB . . 3.610 3.041 2.231 3.367 . 0 0 "[ . 1]" 1
723 1 141 GLU H 1 141 GLU HA 2.400 . 2.900 2.855 2.826 2.894 . 0 0 "[ . 1]" 1
724 1 141 GLU H 1 141 GLU QB 3.280 . 3.780 2.125 2.046 2.292 . 0 0 "[ . 1]" 1
725 1 141 GLU H 1 141 GLU QG 4.210 . 4.710 3.216 2.658 3.818 . 0 0 "[ . 1]" 1
726 1 141 GLU QB 1 142 TRP H 3.870 . 4.370 2.810 2.544 3.217 . 0 0 "[ . 1]" 1
727 1 142 TRP H 1 142 TRP HA 2.830 . 3.330 2.878 2.820 2.914 . 0 0 "[ . 1]" 1
728 1 142 TRP H 1 142 TRP QB 2.830 . 3.180 2.325 1.983 2.496 . 0 0 "[ . 1]" 1
729 1 142 TRP H 1 142 TRP HD1 5.500 . 6.000 2.517 1.855 3.640 . 0 0 "[ . 1]" 1
730 1 142 TRP H 1 143 THR H 2.460 . 2.960 2.529 2.241 3.012 0.052 1 0 "[ . 1]" 1
731 1 142 TRP H 1 144 ALA H 4.910 . 5.410 3.904 3.333 4.178 . 0 0 "[ . 1]" 1
732 1 142 TRP HA 1 142 TRP HD1 3.300 . 3.800 3.742 2.331 4.465 0.665 7 1 "[ . + 1]" 1
733 1 142 TRP HA 1 143 THR H 3.980 . 4.480 3.402 3.296 3.487 . 0 0 "[ . 1]" 1
734 1 142 TRP HE1 1 143 THR MG 6.530 . 7.030 5.825 5.702 5.970 . 0 0 "[ . 1]" 1
735 1 143 THR H 1 143 THR HA 2.400 . 2.900 2.447 2.258 2.886 . 0 0 "[ . 1]" 1
736 1 143 THR H 1 143 THR MG 4.230 . 4.730 2.577 2.296 3.878 . 0 0 "[ . 1]" 1
737 1 143 THR H 1 144 ALA H 2.590 . 3.090 2.444 1.784 2.815 0.016 9 0 "[ . 1]" 1
738 1 143 THR HA 1 143 THR HB 2.740 . 3.240 2.346 2.242 3.008 . 0 0 "[ . 1]" 1
739 1 143 THR HA 1 144 ALA H 2.400 . 2.900 2.980 2.934 3.112 0.212 7 0 "[ . 1]" 1
740 1 143 THR MG 1 144 ALA H 4.570 . 5.070 4.006 3.700 4.228 . 0 0 "[ . 1]" 1
741 1 144 ALA H 1 144 ALA HA 2.740 . 3.240 2.763 2.652 2.953 . 0 0 "[ . 1]" 1
742 1 144 ALA H 1 144 ALA MB 3.430 . 3.930 2.294 2.110 2.529 . 0 0 "[ . 1]" 1
743 1 144 ALA HA 1 145 PRO QD 3.640 . 4.140 2.153 1.884 2.482 . 0 0 "[ . 1]" 1
744 1 144 ALA MB 1 146 ASN H 3.920 . 4.420 2.827 2.318 3.692 . 0 0 "[ . 1]" 1
745 1 145 PRO HA 1 146 ASN H 3.480 . 3.980 3.290 3.200 3.406 . 0 0 "[ . 1]" 1
746 1 145 PRO QG 1 146 ASN H 4.520 . 5.020 3.491 3.106 4.346 . 0 0 "[ . 1]" 1
747 1 145 PRO QD 1 146 ASN H 2.900 . 3.400 2.908 2.830 3.002 . 0 0 "[ . 1]" 1
748 1 146 ASN H 1 146 ASN HA 2.960 . 3.460 2.854 2.748 2.910 . 0 0 "[ . 1]" 1
749 1 146 ASN H 1 146 ASN QB . . 3.240 2.434 2.129 2.740 . 0 0 "[ . 1]" 1
750 1 146 ASN H 1 147 GLU H 4.570 . 5.070 4.525 4.364 4.611 . 0 0 "[ . 1]" 1
751 1 146 ASN HA 1 147 GLU H 2.400 . 2.900 2.371 2.149 2.839 . 0 0 "[ . 1]" 1
752 1 147 GLU H 1 147 GLU HA 2.400 . 2.900 2.843 2.837 2.851 . 0 0 "[ . 1]" 1
753 1 147 GLU H 1 147 GLU QB 3.280 . 3.780 2.667 2.492 2.784 . 0 0 "[ . 1]" 1
754 1 147 GLU H 1 147 GLU QG 3.420 . 3.920 2.002 1.866 2.168 . 0 0 "[ . 1]" 1
755 1 147 GLU HA 1 148 THR H 2.400 . 2.900 2.108 2.080 2.135 . 0 0 "[ . 1]" 1
756 1 147 GLU HA 1 175 ASN QD 5.500 . 6.000 1.831 1.784 1.865 0.016 8 0 "[ . 1]" 1
757 1 147 GLU QB 1 148 THR H 3.800 . 4.300 3.430 3.140 3.537 . 0 0 "[ . 1]" 1
758 1 147 GLU QB 1 175 ASN H 6.380 . 6.880 4.786 4.252 5.162 . 0 0 "[ . 1]" 1
759 1 147 GLU QB 1 175 ASN QD . . 6.350 3.410 2.990 3.568 . 0 0 "[ . 1]" 1
760 1 147 GLU QG 1 148 THR H 5.500 . 6.000 4.451 4.191 4.586 . 0 0 "[ . 1]" 1
761 1 148 THR H 1 148 THR HB 2.430 . 2.930 2.735 2.458 2.959 0.029 10 0 "[ . 1]" 1
762 1 148 THR H 1 175 ASN QB 6.380 . 6.880 3.861 3.581 4.159 . 0 0 "[ . 1]" 1
763 1 148 THR H 1 175 ASN QD 5.500 . 6.000 3.190 3.007 3.369 . 0 0 "[ . 1]" 1
764 1 148 THR H 1 176 LEU HA 4.970 . 5.470 2.728 2.366 3.010 . 0 0 "[ . 1]" 1
765 1 148 THR H 1 176 LEU MD1 6.530 . 7.030 3.430 1.745 5.267 0.055 4 0 "[ . 1]" 1
766 1 148 THR H 1 177 THR H 4.600 . 5.100 4.683 4.373 4.890 . 0 0 "[ . 1]" 1
767 1 148 THR HA 1 149 ARG H 2.490 . 2.990 2.148 2.121 2.188 . 0 0 "[ . 1]" 1
768 1 148 THR HB 1 176 LEU MD2 5.380 . 5.880 3.149 2.102 4.210 . 0 0 "[ . 1]" 1
769 1 148 THR MG 1 149 ARG H 3.430 . 3.930 2.921 2.600 3.056 . 0 0 "[ . 1]" 1
770 1 148 THR MG 1 176 LEU MD2 5.230 . 5.730 3.564 3.184 3.875 . 0 0 "[ . 1]" 1
771 1 149 ARG HA 1 150 ILE H 2.620 . 3.120 2.191 2.134 2.226 . 0 0 "[ . 1]" 1
772 1 149 ARG HA 1 177 THR H 2.710 . 3.210 2.031 1.814 2.337 . 0 0 "[ . 1]" 1
773 1 150 ILE H 1 177 THR H 5.000 . 5.500 3.167 3.016 3.385 . 0 0 "[ . 1]" 1
774 1 150 ILE H 1 178 VAL HA 3.140 . 3.640 3.133 2.803 3.432 . 0 0 "[ . 1]" 1
775 1 150 ILE HA 1 151 TYR H 2.620 . 3.120 2.132 2.100 2.160 . 0 0 "[ . 1]" 1
776 1 150 ILE MD 1 151 TYR H 3.430 . 3.930 2.460 2.066 3.132 . 0 0 "[ . 1]" 1
777 1 150 ILE MD 1 152 PHE QD 8.490 . 8.990 4.536 3.655 6.694 . 0 0 "[ . 1]" 1
778 1 151 TYR H 1 151 TYR QB 3.450 . 3.950 2.642 2.423 3.156 . 0 0 "[ . 1]" 1
779 1 151 TYR H 1 179 LYS QB 6.380 . 6.880 4.320 4.098 4.450 . 0 0 "[ . 1]" 1
780 1 151 TYR HA 1 152 PHE H 2.400 . 2.900 2.183 2.125 2.235 . 0 0 "[ . 1]" 1
781 1 151 TYR HA 1 179 LYS H 4.880 . 5.380 2.466 2.152 2.832 . 0 0 "[ . 1]" 1
782 1 152 PHE H 1 152 PHE QB . . 3.360 2.448 2.304 2.704 . 0 0 "[ . 1]" 1
783 1 152 PHE H 1 179 LYS H 2.550 . 3.050 3.037 2.766 3.297 0.247 5 0 "[ . 1]" 1
784 1 152 PHE H 1 180 ALA HA 4.510 . 5.010 4.656 4.605 4.734 . 0 0 "[ . 1]" 1
785 1 152 PHE H 1 181 CYS H 5.220 . 5.720 4.527 4.326 4.717 . 0 0 "[ . 1]" 1
786 1 152 PHE HA 1 153 GLY H 2.680 . 3.180 2.249 2.195 2.325 . 0 0 "[ . 1]" 1
787 1 152 PHE QD 1 153 GLY H 6.350 . 6.850 2.532 1.929 3.905 . 0 0 "[ . 1]" 1
788 1 152 PHE QD 1 180 ALA HA 7.620 . 8.120 4.895 3.904 5.814 . 0 0 "[ . 1]" 1
789 1 152 PHE QD 1 180 ALA MB 8.650 . 9.150 5.685 5.059 6.494 . 0 0 "[ . 1]" 1
790 1 153 GLY H 1 154 VAL H 5.070 . 5.570 4.397 4.358 4.442 . 0 0 "[ . 1]" 1
791 1 153 GLY H 1 160 LEU QD 7.630 . 8.130 4.549 3.747 5.100 . 0 0 "[ . 1]" 1
792 1 153 GLY HA3 1 154 VAL H 2.930 . 3.430 2.709 2.453 2.892 . 0 0 "[ . 1]" 1
793 1 153 GLY HA3 1 181 CYS QB 5.630 . 6.130 1.822 1.661 1.896 0.139 6 0 "[ . 1]" 1
794 1 153 GLY HA2 1 154 VAL H 2.900 . 3.400 2.387 2.245 2.730 . 0 0 "[ . 1]" 1
795 1 153 GLY HA2 1 181 CYS H 4.910 . 5.410 3.434 3.190 3.714 . 0 0 "[ . 1]" 1
796 1 153 GLY HA2 1 181 CYS QB 6.380 . 6.880 2.001 1.642 3.152 0.158 3 0 "[ . 1]" 1
797 1 154 VAL H 1 154 VAL MG2 4.480 . 4.980 2.385 2.205 2.468 . 0 0 "[ . 1]" 1
798 1 154 VAL H 1 160 LEU QD 7.630 . 8.130 3.610 2.758 4.227 . 0 0 "[ . 1]" 1
799 1 154 VAL H 1 182 VAL MG1 6.530 . 7.030 4.437 4.189 4.670 . 0 0 "[ . 1]" 1
800 1 154 VAL H 1 182 VAL MG2 6.530 . 7.030 1.806 1.685 1.965 0.115 3 0 "[ . 1]" 1
801 1 154 VAL HA 1 155 ASN H 3.170 . 3.670 3.378 3.292 3.442 . 0 0 "[ . 1]" 1
802 1 154 VAL HA 1 192 GLU HA 3.610 . 4.110 4.861 4.760 5.079 0.969 9 10 [*****-**+*] 1
803 1 154 VAL HB 1 155 ASN H 3.390 . 3.890 1.827 1.798 1.856 0.002 6 0 "[ . 1]" 1
804 1 154 VAL MG2 1 155 ASN H 6.530 . 7.030 1.862 1.789 1.917 0.011 7 0 "[ . 1]" 1
805 1 154 VAL MG2 1 156 THR H 6.530 . 7.030 5.078 4.873 5.277 . 0 0 "[ . 1]" 1
806 1 154 VAL MG2 1 159 GLU H 6.530 . 7.030 5.147 4.312 5.508 . 0 0 "[ . 1]" 1
807 1 154 VAL MG2 1 160 LEU H 4.820 . 5.320 4.088 3.718 4.444 . 0 0 "[ . 1]" 1
808 1 154 VAL MG2 1 160 LEU HA 5.630 . 6.130 4.027 2.848 4.592 . 0 0 "[ . 1]" 1
809 1 154 VAL MG2 1 160 LEU QB . . 5.570 2.284 1.782 2.704 0.018 5 0 "[ . 1]" 1
810 1 154 VAL MG2 1 160 LEU MD1 5.110 . 5.610 1.691 1.585 1.830 0.215 9 0 "[ . 1]" 1
811 1 154 VAL MG2 1 161 PHE H 6.530 . 7.030 4.464 4.015 4.959 . 0 0 "[ . 1]" 1
812 1 154 VAL MG2 1 182 VAL HA 5.690 . 6.190 5.119 5.007 5.233 . 0 0 "[ . 1]" 1
813 1 154 VAL MG2 1 182 VAL MG1 . . 6.000 3.876 3.599 4.082 . 0 0 "[ . 1]" 1
814 1 154 VAL MG2 1 182 VAL MG2 . . 6.000 2.037 1.826 2.389 . 0 0 "[ . 1]" 1
815 1 155 ASN H 1 155 ASN HA 2.550 . 3.050 2.927 2.919 2.931 . 0 0 "[ . 1]" 1
816 1 155 ASN H 1 156 THR H 3.980 . 4.480 4.380 4.302 4.499 0.019 6 0 "[ . 1]" 1
817 1 155 ASN H 1 160 LEU QD 7.630 . 8.130 2.844 1.852 3.496 . 0 0 "[ . 1]" 1
818 1 155 ASN HA 1 156 THR H 2.740 . 3.240 2.671 2.353 2.810 . 0 0 "[ . 1]" 1
819 1 155 ASN HA 1 156 THR MG 6.530 . 7.030 4.043 3.668 4.311 . 0 0 "[ . 1]" 1
820 1 155 ASN QB 1 156 THR H 3.210 . 3.710 1.963 1.755 2.641 0.045 1 0 "[ . 1]" 1
821 1 155 ASN QB 1 156 THR MG 4.260 . 4.760 2.800 2.332 3.214 . 0 0 "[ . 1]" 1
822 1 156 THR H 1 156 THR HB 3.550 . 4.050 3.370 2.923 3.631 . 0 0 "[ . 1]" 1
823 1 156 THR H 1 156 THR MG 4.510 . 5.010 1.894 1.782 1.983 0.018 7 0 "[ . 1]" 1
824 1 156 THR H 1 182 VAL MG1 6.530 . 7.030 3.108 2.690 3.706 . 0 0 "[ . 1]" 1
825 1 156 THR HA 1 157 GLU H 3.170 . 3.670 3.516 3.436 3.572 . 0 0 "[ . 1]" 1
826 1 156 THR HA 1 182 VAL MG1 4.610 . 5.110 2.048 1.707 2.466 0.093 6 0 "[ . 1]" 1
827 1 156 THR HA 1 184 HIS H 4.790 . 5.290 4.519 4.135 4.847 . 0 0 "[ . 1]" 1
828 1 156 THR HB 1 157 GLU H 3.920 . 4.420 3.757 3.075 4.317 . 0 0 "[ . 1]" 1
829 1 156 THR MG 1 157 GLU H 6.530 . 7.030 3.138 1.894 3.877 . 0 0 "[ . 1]" 1
830 1 156 THR MG 1 182 VAL MG1 7.560 . 8.060 3.682 3.530 3.979 . 0 0 "[ . 1]" 1
831 1 156 THR MG 1 184 HIS H 6.530 . 7.030 4.941 4.583 5.449 . 0 0 "[ . 1]" 1
832 1 156 THR MG 1 184 HIS QB 6.010 . 6.510 4.668 4.490 4.815 . 0 0 "[ . 1]" 1
833 1 157 GLU H 1 182 VAL MG1 6.530 . 7.030 3.707 3.399 4.055 . 0 0 "[ . 1]" 1
834 1 157 GLU HA 1 160 LEU MD2 5.810 . 6.310 3.575 1.817 4.848 . 0 0 "[ . 1]" 1
835 1 157 GLU HA 1 182 VAL MG1 4.920 . 5.420 4.108 3.573 4.390 . 0 0 "[ . 1]" 1
836 1 157 GLU HA 1 182 VAL MG2 6.000 . 6.500 4.204 3.928 4.560 . 0 0 "[ . 1]" 1
837 1 157 GLU QG 1 182 VAL MG1 . . 5.970 2.879 1.828 4.062 . 0 0 "[ . 1]" 1
838 1 157 GLU QG 1 182 VAL MG2 5.780 . 5.910 3.538 1.991 4.361 . 0 0 "[ . 1]" 1
839 1 158 PRO QB 1 159 GLU H 3.390 . 3.550 2.928 2.665 3.252 . 0 0 "[ . 1]" 1
840 1 158 PRO QD 1 159 GLU H 6.380 . 6.880 2.954 2.471 3.382 . 0 0 "[ . 1]" 1
841 1 159 GLU H 1 159 GLU HA 2.860 . 3.360 2.908 2.763 2.954 . 0 0 "[ . 1]" 1
842 1 159 GLU H 1 159 GLU QB 3.310 . 3.810 2.555 2.130 3.022 . 0 0 "[ . 1]" 1
843 1 159 GLU H 1 160 LEU H 2.680 . 3.180 2.207 1.823 2.578 . 0 0 "[ . 1]" 1
844 1 159 GLU H 1 160 LEU QD 7.630 . 8.130 4.321 2.944 4.937 . 0 0 "[ . 1]" 1
845 1 159 GLU HA 1 160 LEU H 4.720 . 5.220 3.435 3.043 3.565 . 0 0 "[ . 1]" 1
846 1 159 GLU QB 1 160 LEU H 6.190 . 6.690 2.887 2.108 3.688 . 0 0 "[ . 1]" 1
847 1 160 LEU H 1 160 LEU QB 2.590 . 2.900 2.308 2.091 2.670 . 0 0 "[ . 1]" 1
848 1 160 LEU H 1 161 PHE H 5.160 . 5.260 4.505 4.343 4.654 . 0 0 "[ . 1]" 1
849 1 160 LEU QB 1 161 PHE H . . 3.610 2.496 1.854 3.312 . 0 0 "[ . 1]" 1
850 1 160 LEU QB 1 182 VAL MG2 6.530 . 6.530 4.404 3.499 4.703 . 0 0 "[ . 1]" 1
851 1 160 LEU MD1 1 182 VAL MG2 . . 6.000 4.055 2.909 4.229 . 0 0 "[ . 1]" 1
852 1 160 LEU MD2 1 182 VAL MG2 6.250 . 6.750 3.440 2.391 4.489 . 0 0 "[ . 1]" 1
853 1 160 LEU QD 1 161 PHE H 5.060 . 5.560 2.588 1.875 3.162 . 0 0 "[ . 1]" 1
854 1 161 PHE H 1 161 PHE QD 5.200 . 5.700 2.405 1.922 3.322 . 0 0 "[ . 1]" 1
855 1 161 PHE HA 1 162 TYR H 2.680 . 3.180 2.767 2.543 2.917 . 0 0 "[ . 1]" 1
856 1 161 PHE HA 1 163 ILE H 4.720 . 5.220 3.128 2.976 3.382 . 0 0 "[ . 1]" 1
857 1 161 PHE QB 1 162 TYR H . . 3.490 1.965 1.879 2.174 . 0 0 "[ . 1]" 1
858 1 161 PHE QD 1 162 TYR H 7.620 . 8.120 2.868 2.428 3.620 . 0 0 "[ . 1]" 1
859 1 162 TYR H 1 162 TYR HA 2.550 . 3.050 2.288 2.273 2.312 . 0 0 "[ . 1]" 1
860 1 162 TYR H 1 162 TYR QB 2.990 . 3.490 3.113 3.079 3.132 . 0 0 "[ . 1]" 1
861 1 162 TYR H 1 163 ILE H 3.520 . 4.020 2.491 2.348 2.587 . 0 0 "[ . 1]" 1
862 1 162 TYR HA 1 163 ILE H 3.950 . 4.450 3.126 2.948 3.229 . 0 0 "[ . 1]" 1
863 1 163 ILE H 1 163 ILE HB 2.800 . 3.300 3.250 2.020 3.411 0.111 4 0 "[ . 1]" 1
864 1 163 ILE H 1 163 ILE MD 3.430 . 3.930 2.894 2.680 3.864 . 0 0 "[ . 1]" 1
865 1 163 ILE H 1 164 ASP H 2.930 . 3.430 2.628 2.494 2.741 . 0 0 "[ . 1]" 1
866 1 163 ILE H 1 166 LEU MD1 4.420 . 4.920 3.940 3.676 4.048 . 0 0 "[ . 1]" 1
867 1 163 ILE HA 1 163 ILE MD 4.420 . 4.920 3.477 1.823 3.692 . 0 0 "[ . 1]" 1
868 1 163 ILE HA 1 164 ASP H 3.700 . 4.200 3.524 3.499 3.550 . 0 0 "[ . 1]" 1
869 1 163 ILE HA 1 166 LEU H 3.300 . 3.800 3.421 3.258 3.816 0.016 1 0 "[ . 1]" 1
870 1 163 ILE MD 1 164 ASP H 3.740 . 4.240 2.026 1.791 3.911 0.009 4 0 "[ . 1]" 1
871 1 163 ILE MD 1 164 ASP HA 5.750 . 6.250 2.555 2.258 4.115 . 0 0 "[ . 1]" 1
872 1 163 ILE MD 1 167 LYS QG 4.950 . 5.140 3.337 3.103 3.581 . 0 0 "[ . 1]" 1
873 1 163 ILE MD 1 167 LYS QD 5.760 . 6.260 3.942 2.341 4.390 . 0 0 "[ . 1]" 1
874 1 163 ILE MD 1 167 LYS QE 5.050 . 5.550 3.315 2.666 4.005 . 0 0 "[ . 1]" 1
875 1 164 ASP H 1 164 ASP HA 2.400 . 2.900 2.829 2.810 2.855 . 0 0 "[ . 1]" 1
876 1 164 ASP H 1 164 ASP QB 3.280 . 3.780 2.242 2.067 2.766 . 0 0 "[ . 1]" 1
877 1 164 ASP H 1 165 GLU H 2.460 . 2.960 2.532 2.464 2.584 . 0 0 "[ . 1]" 1
878 1 164 ASP HA 1 165 GLU H 4.010 . 4.510 3.470 3.453 3.491 . 0 0 "[ . 1]" 1
879 1 164 ASP HA 1 167 LYS H 2.860 . 3.360 3.339 3.281 3.402 0.042 6 0 "[ . 1]" 1
880 1 164 ASP QB 1 165 GLU H 3.680 . 4.180 2.877 2.772 2.974 . 0 0 "[ . 1]" 1
881 1 165 GLU H 1 165 GLU HA 2.800 . 3.300 2.852 2.815 2.863 . 0 0 "[ . 1]" 1
882 1 165 GLU H 1 165 GLU QB 2.800 . 3.300 2.159 2.068 2.428 . 0 0 "[ . 1]" 1
883 1 165 GLU H 1 166 LEU H 2.460 . 2.960 2.520 2.360 2.748 . 0 0 "[ . 1]" 1
884 1 165 GLU HA 1 165 GLU QG 3.580 . 3.860 2.333 2.125 2.821 . 0 0 "[ . 1]" 1
885 1 165 GLU HA 1 168 SER H 4.570 . 5.070 3.401 3.097 3.656 . 0 0 "[ . 1]" 1
886 1 165 GLU HA 1 168 SER QB 4.450 . 4.950 3.051 2.139 3.801 . 0 0 "[ . 1]" 1
887 1 165 GLU QB 1 166 LEU H 2.620 . 2.930 2.589 2.391 2.754 . 0 0 "[ . 1]" 1
888 1 166 LEU H 1 166 LEU HA 2.740 . 3.240 2.830 2.805 2.880 . 0 0 "[ . 1]" 1
889 1 166 LEU H 1 166 LEU MD1 3.430 . 3.930 3.050 1.880 3.462 . 0 0 "[ . 1]" 1
890 1 166 LEU HA 1 166 LEU HG 4.040 . 4.540 3.083 2.109 3.616 . 0 0 "[ . 1]" 1
891 1 166 LEU HA 1 166 LEU MD1 4.510 . 5.010 3.759 3.154 4.126 . 0 0 "[ . 1]" 1
892 1 166 LEU HA 1 167 LYS H 3.520 . 4.020 3.483 3.472 3.490 . 0 0 "[ . 1]" 1
893 1 166 LEU HA 1 169 LEU H 2.430 . 2.930 3.085 3.011 3.174 0.244 6 0 "[ . 1]" 1
894 1 167 LYS H 1 167 LYS HA 2.740 . 3.240 2.837 2.818 2.884 . 0 0 "[ . 1]" 1
895 1 167 LYS H 1 167 LYS QB 3.460 . 3.960 2.419 2.204 2.676 . 0 0 "[ . 1]" 1
896 1 167 LYS H 1 167 LYS QG 3.280 . 3.780 2.481 2.145 2.896 . 0 0 "[ . 1]" 1
897 1 167 LYS H 1 168 SER H 2.960 . 3.460 2.577 2.319 2.715 . 0 0 "[ . 1]" 1
898 1 167 LYS H 1 169 LEU H 4.540 . 5.040 3.813 3.654 4.026 . 0 0 "[ . 1]" 1
899 1 167 LYS HA 1 167 LYS QG 2.770 . 3.270 2.359 2.153 2.634 . 0 0 "[ . 1]" 1
900 1 167 LYS HA 1 167 LYS QD 4.240 . 4.740 3.599 3.227 4.174 . 0 0 "[ . 1]" 1
901 1 167 LYS HA 1 170 GLU H 2.550 . 3.050 3.215 3.173 3.299 0.249 6 0 "[ . 1]" 1
902 1 167 LYS HA 1 170 GLU QB 3.680 . 4.180 2.930 2.429 3.323 . 0 0 "[ . 1]" 1
903 1 167 LYS HA 1 170 GLU QG . . 3.240 2.337 1.874 2.643 . 0 0 "[ . 1]" 1
904 1 167 LYS QB 1 168 SER H 3.430 . 3.930 2.603 2.366 2.965 . 0 0 "[ . 1]" 1
905 1 168 SER H 1 168 SER HA 2.400 . 2.900 2.839 2.828 2.861 . 0 0 "[ . 1]" 1
906 1 168 SER H 1 168 SER QB 3.280 . 3.780 2.353 2.074 2.734 . 0 0 "[ . 1]" 1
907 1 168 SER H 1 169 LEU H 2.400 . 2.900 2.523 2.466 2.572 . 0 0 "[ . 1]" 1
908 1 168 SER HA 1 171 ARG H 2.430 . 2.930 3.078 3.004 3.191 0.261 6 0 "[ . 1]" 1
909 1 168 SER HA 1 171 ARG QB 4.390 . 4.890 2.416 2.099 2.694 . 0 0 "[ . 1]" 1
910 1 168 SER HA 1 171 ARG QG 5.500 . 6.000 3.030 2.536 3.270 . 0 0 "[ . 1]" 1
911 1 168 SER HA 1 172 SER H 3.100 . 3.600 3.811 3.732 3.880 0.280 10 0 "[ . 1]" 1
912 1 168 SER QB 1 169 LEU H 3.520 . 4.020 2.977 2.790 3.474 . 0 0 "[ . 1]" 1
913 1 168 SER QB 1 171 ARG QB 7.250 . 7.750 4.030 3.671 4.368 . 0 0 "[ . 1]" 1
914 1 168 SER QB 1 171 ARG QG 6.380 . 6.880 4.833 4.431 5.134 . 0 0 "[ . 1]" 1
915 1 169 LEU H 1 169 LEU HA 2.430 . 2.930 2.823 2.811 2.848 . 0 0 "[ . 1]" 1
916 1 169 LEU H 1 169 LEU QB 2.770 . 3.270 2.199 2.000 2.955 . 0 0 "[ . 1]" 1
917 1 169 LEU H 1 169 LEU HG 2.900 . 3.400 3.214 1.853 3.586 0.186 10 0 "[ . 1]" 1
918 1 169 LEU H 1 170 GLU H 2.400 . 2.900 2.552 2.494 2.659 . 0 0 "[ . 1]" 1
919 1 169 LEU HA 1 169 LEU HG 3.980 . 4.480 2.785 2.301 3.655 . 0 0 "[ . 1]" 1
920 1 169 LEU HA 1 169 LEU MD1 3.800 . 4.300 3.781 3.691 3.987 . 0 0 "[ . 1]" 1
921 1 169 LEU HA 1 169 LEU MD2 3.430 . 3.930 2.254 1.775 2.738 0.025 8 0 "[ . 1]" 1
922 1 169 LEU HA 1 172 SER H 2.600 . 3.100 3.253 3.180 3.314 0.214 5 0 "[ . 1]" 1
923 1 169 LEU QB 1 170 GLU H 2.430 . 2.930 2.695 2.534 2.771 . 0 0 "[ . 1]" 1
924 1 169 LEU QD 1 170 GLU H 5.150 . 5.650 3.893 3.456 4.034 . 0 0 "[ . 1]" 1
925 1 169 LEU QD 1 171 ARG H 7.630 . 8.130 5.071 4.726 5.279 . 0 0 "[ . 1]" 1
926 1 169 LEU QD 1 172 SER H 7.630 . 8.130 4.453 4.084 4.875 . 0 0 "[ . 1]" 1
927 1 169 LEU QD 1 173 MET H 6.140 . 6.640 4.183 2.665 4.959 . 0 0 "[ . 1]" 1
928 1 170 GLU H 1 170 GLU HA 2.490 . 2.990 2.821 2.793 2.847 . 0 0 "[ . 1]" 1
929 1 170 GLU H 1 170 GLU QB 3.280 . 3.780 2.523 2.230 2.711 . 0 0 "[ . 1]" 1
930 1 170 GLU H 1 171 ARG H 2.770 . 3.270 2.610 2.509 2.725 . 0 0 "[ . 1]" 1
931 1 170 GLU HA 1 171 ARG H 3.020 . 3.520 3.525 3.498 3.547 0.027 6 0 "[ . 1]" 1
932 1 170 GLU HA 1 176 LEU H 4.660 . 5.160 4.538 3.704 5.218 0.058 7 0 "[ . 1]" 1
933 1 170 GLU QB 1 171 ARG H 4.300 . 4.800 2.656 2.535 2.770 . 0 0 "[ . 1]" 1
934 1 170 GLU QG 1 177 THR HA . . 5.040 4.090 3.766 4.516 . 0 0 "[ . 1]" 1
935 1 171 ARG H 1 171 ARG HA 2.430 . 2.930 2.875 2.868 2.883 . 0 0 "[ . 1]" 1
936 1 171 ARG H 1 171 ARG QB 3.370 . 3.870 2.324 2.298 2.368 . 0 0 "[ . 1]" 1
937 1 171 ARG H 1 171 ARG QG 2.400 . 2.900 2.691 2.589 2.722 . 0 0 "[ . 1]" 1
938 1 171 ARG HA 1 171 ARG QG 2.400 . 2.900 2.311 2.277 2.342 . 0 0 "[ . 1]" 1
939 1 171 ARG HA 1 171 ARG QD 3.050 . 3.490 3.153 3.074 3.218 . 0 0 "[ . 1]" 1
940 1 171 ARG QB 1 172 SER H 3.930 . 4.430 2.732 2.615 2.926 . 0 0 "[ . 1]" 1
941 1 172 SER H 1 172 SER HA 2.520 . 3.020 2.854 2.750 2.952 . 0 0 "[ . 1]" 1
942 1 172 SER H 1 172 SER QB 3.280 . 3.780 2.280 2.088 2.622 . 0 0 "[ . 1]" 1
943 1 172 SER H 1 173 MET H 2.400 . 2.900 2.784 2.490 3.048 0.148 1 0 "[ . 1]" 1
944 1 172 SER HA 1 172 SER QB 2.550 . 3.050 2.351 2.156 2.526 . 0 0 "[ . 1]" 1
945 1 172 SER QB 1 173 MET H 3.650 . 4.150 2.795 1.978 3.799 . 0 0 "[ . 1]" 1
946 1 173 MET H 1 173 MET HA 2.490 . 2.990 2.817 2.583 2.939 . 0 0 "[ . 1]" 1
947 1 173 MET H 1 173 MET QB 2.590 . 2.900 2.305 2.100 2.924 0.024 1 0 "[ . 1]" 1
948 1 173 MET HA 1 173 MET QG . . 3.950 2.540 2.011 3.504 . 0 0 "[ . 1]" 1
949 1 173 MET HA 1 174 ARG H 2.400 . 2.900 2.616 2.098 2.910 0.010 4 0 "[ . 1]" 1
950 1 173 MET HA 1 175 ASN H 4.660 . 5.160 5.126 4.787 5.242 0.082 10 0 "[ . 1]" 1
951 1 173 MET QB 1 174 ARG H 5.040 . 5.540 2.388 1.859 3.587 . 0 0 "[ . 1]" 1
952 1 174 ARG H 1 174 ARG HA 2.590 . 3.090 2.832 2.287 2.935 . 0 0 "[ . 1]" 1
953 1 174 ARG H 1 174 ARG QB 3.280 . 3.780 2.416 2.234 3.332 . 0 0 "[ . 1]" 1
954 1 174 ARG HA 1 174 ARG QD 4.330 . 4.830 2.883 1.865 3.921 . 0 0 "[ . 1]" 1
955 1 174 ARG HA 1 175 ASN H 2.900 . 3.400 3.393 2.187 3.546 0.146 9 0 "[ . 1]" 1
956 1 174 ARG HA 1 175 ASN QB 4.640 . 5.140 5.190 4.693 5.348 0.208 6 0 "[ . 1]" 1
957 1 174 ARG QB 1 175 ASN H 3.490 . 3.990 2.264 1.862 3.645 . 0 0 "[ . 1]" 1
958 1 175 ASN H 1 175 ASN HA 2.490 . 2.990 2.890 2.519 2.941 . 0 0 "[ . 1]" 1
959 1 175 ASN H 1 176 LEU H 2.590 . 3.090 3.243 3.089 3.743 0.653 1 1 "[+ . 1]" 1
960 1 175 ASN HA 1 176 LEU H 2.590 . 3.090 2.472 2.332 2.587 . 0 0 "[ . 1]" 1
961 1 175 ASN QB 1 176 LEU H 6.310 . 6.810 3.899 3.816 3.941 . 0 0 "[ . 1]" 1
962 1 176 LEU H 1 176 LEU QB 2.400 . 2.900 2.379 2.234 2.610 . 0 0 "[ . 1]" 1
963 1 176 LEU H 1 176 LEU MD1 3.860 . 4.360 2.732 1.901 3.644 . 0 0 "[ . 1]" 1
964 1 176 LEU HA 1 176 LEU MD2 4.300 . 4.800 3.606 2.896 4.099 . 0 0 "[ . 1]" 1
965 1 176 LEU HA 1 177 THR H 2.620 . 3.120 2.284 2.213 2.349 . 0 0 "[ . 1]" 1
966 1 176 LEU QB 1 177 THR H . . 3.240 2.748 2.599 2.936 . 0 0 "[ . 1]" 1
967 1 177 THR H 1 177 THR HA 2.960 . 3.460 2.929 2.923 2.933 . 0 0 "[ . 1]" 1
968 1 177 THR H 1 177 THR HB 3.020 . 3.520 2.872 2.649 3.212 . 0 0 "[ . 1]" 1
969 1 177 THR HA 1 178 VAL H 2.400 . 2.900 2.135 2.124 2.154 . 0 0 "[ . 1]" 1
970 1 177 THR HB 1 178 VAL H 4.720 . 5.220 4.205 3.768 4.466 . 0 0 "[ . 1]" 1
971 1 177 THR MG 1 178 VAL H 4.200 . 4.700 2.919 2.677 3.068 . 0 0 "[ . 1]" 1
972 1 177 THR MG 1 179 LYS QE 7.370 . 7.870 4.628 3.251 5.635 . 0 0 "[ . 1]" 1
973 1 178 VAL H 1 178 VAL HA 2.900 . 3.400 2.921 2.905 2.935 . 0 0 "[ . 1]" 1
974 1 178 VAL H 1 178 VAL HB 2.520 . 3.020 2.693 2.403 3.027 0.007 4 0 "[ . 1]" 1
975 1 178 VAL HA 1 179 LYS H 2.400 . 2.900 2.187 2.155 2.215 . 0 0 "[ . 1]" 1
976 1 178 VAL QG 1 179 LYS H 4.800 . 5.300 2.285 2.094 2.474 . 0 0 "[ . 1]" 1
977 1 178 VAL QG 1 180 ALA H 6.200 . 6.700 4.161 4.038 4.359 . 0 0 "[ . 1]" 1
978 1 179 LYS H 1 179 LYS QB 3.590 . 4.090 2.366 2.255 2.464 . 0 0 "[ . 1]" 1
979 1 179 LYS HA 1 180 ALA H 2.400 . 2.900 2.174 2.153 2.192 . 0 0 "[ . 1]" 1
980 1 180 ALA H 1 180 ALA MB 3.430 . 3.930 2.280 2.164 2.371 . 0 0 "[ . 1]" 1
981 1 180 ALA HA 1 181 CYS H 2.400 . 2.900 2.098 2.071 2.134 . 0 0 "[ . 1]" 1
982 1 180 ALA MB 1 181 CYS H 3.990 . 4.490 3.397 3.385 3.412 . 0 0 "[ . 1]" 1
983 1 181 CYS HA 1 182 VAL H 2.400 . 2.900 2.814 2.713 2.904 0.004 8 0 "[ . 1]" 1
984 1 181 CYS HA 1 192 GLU H 4.760 . 5.260 5.439 4.974 5.591 0.331 8 0 "[ . 1]" 1
985 1 181 CYS HA 1 192 GLU QB 5.040 . 5.540 3.076 2.499 3.460 . 0 0 "[ . 1]" 1
986 1 181 CYS QB 1 182 VAL H 5.040 . 5.540 1.906 1.826 1.991 . 0 0 "[ . 1]" 1
987 1 182 VAL H 1 182 VAL HB 3.300 . 3.800 3.407 3.335 3.580 . 0 0 "[ . 1]" 1
988 1 182 VAL H 1 183 TRP HE1 3.050 . 3.550 4.243 4.132 4.326 0.776 9 10 [******-*+*] 1
989 1 182 VAL H 1 193 GLN HA 3.920 . 4.420 2.459 1.957 2.826 . 0 0 "[ . 1]" 1
990 1 182 VAL H 1 194 GLY H 5.160 . 5.660 3.921 3.490 4.112 . 0 0 "[ . 1]" 1
991 1 182 VAL HA 1 183 TRP H 2.490 . 2.990 2.173 2.139 2.202 . 0 0 "[ . 1]" 1
992 1 182 VAL HA 1 184 HIS H 4.540 . 5.040 4.242 3.903 4.709 . 0 0 "[ . 1]" 1
993 1 182 VAL HA 1 189 TRP HE1 4.290 . 4.790 3.863 3.243 4.060 . 0 0 "[ . 1]" 1
994 1 182 VAL HB 1 183 TRP HE1 6.000 . 6.500 6.302 6.256 6.330 . 0 0 "[ . 1]" 1
995 1 182 VAL MG1 1 183 TRP H 6.530 . 7.030 2.140 1.840 2.296 . 0 0 "[ . 1]" 1
996 1 182 VAL MG1 1 183 TRP HE1 6.530 . 7.030 4.803 4.511 4.923 . 0 0 "[ . 1]" 1
997 1 182 VAL MG1 1 184 HIS H 4.200 . 4.700 3.393 3.120 3.755 . 0 0 "[ . 1]" 1
998 1 182 VAL MG1 1 185 PRO QB . . 5.660 4.038 3.972 4.128 . 0 0 "[ . 1]" 1
999 1 182 VAL MG1 1 186 SER H 6.530 . 7.030 4.473 4.175 5.589 . 0 0 "[ . 1]" 1
1000 1 182 VAL MG2 1 183 TRP H 6.530 . 7.030 3.482 3.282 3.668 . 0 0 "[ . 1]" 1
1001 1 182 VAL MG2 1 183 TRP HE1 4.800 . 5.300 4.414 4.324 4.494 . 0 0 "[ . 1]" 1
1002 1 182 VAL MG2 1 184 HIS H 6.530 . 7.030 5.007 4.533 5.370 . 0 0 "[ . 1]" 1
1003 1 182 VAL MG2 1 185 PRO QB 6.530 . 6.930 4.018 3.670 4.678 . 0 0 "[ . 1]" 1
1004 1 182 VAL MG2 1 193 GLN HA 6.530 . 7.030 4.566 4.088 4.981 . 0 0 "[ . 1]" 1
1005 1 183 TRP H 1 183 TRP HA 2.710 . 3.210 2.936 2.925 2.942 . 0 0 "[ . 1]" 1
1006 1 183 TRP HA 1 184 HIS H 3.020 . 3.520 3.524 3.499 3.541 0.021 4 0 "[ . 1]" 1
1007 1 183 TRP QB 1 184 HIS H 3.770 . 4.270 2.608 2.149 2.898 . 0 0 "[ . 1]" 1
1008 1 183 TRP HD1 1 184 HIS H 5.500 . 6.000 3.751 3.605 3.956 . 0 0 "[ . 1]" 1
1009 1 183 TRP HD1 1 193 GLN QG 5.280 . 5.780 4.872 3.951 5.337 . 0 0 "[ . 1]" 1
1010 1 183 TRP HE1 1 185 PRO QB 5.500 . 6.000 3.602 3.207 4.113 . 0 0 "[ . 1]" 1
1011 1 183 TRP HE1 1 185 PRO QG 5.800 . 6.300 3.311 2.341 3.725 . 0 0 "[ . 1]" 1
1012 1 183 TRP HE1 1 189 TRP HZ2 5.500 . 6.000 3.666 3.561 3.850 . 0 0 "[ . 1]" 1
1013 1 183 TRP HE1 1 191 GLY HA3 5.500 . 6.000 5.388 5.072 5.790 . 0 0 "[ . 1]" 1
1014 1 183 TRP HE1 1 193 GLN HA 5.500 . 6.000 4.595 4.141 5.065 . 0 0 "[ . 1]" 1
1015 1 184 HIS H 1 184 HIS QB 3.560 . 4.060 3.012 2.892 3.486 . 0 0 "[ . 1]" 1
1016 1 185 PRO HA 1 186 SER H 2.800 . 3.300 3.399 3.042 3.464 0.164 3 0 "[ . 1]" 1
1017 1 185 PRO QB 1 186 SER H 3.920 . 4.420 1.814 1.752 1.848 0.048 6 0 "[ . 1]" 1
1018 1 185 PRO QB 1 189 TRP H 4.480 . 4.980 4.022 3.880 4.179 . 0 0 "[ . 1]" 1
1019 1 186 SER H 1 186 SER HA 2.400 . 2.900 2.602 2.544 2.755 . 0 0 "[ . 1]" 1
1020 1 186 SER H 1 186 SER QB . . 3.460 3.186 3.033 3.231 . 0 0 "[ . 1]" 1
1021 1 186 SER H 1 187 GLY H 4.540 . 5.040 1.875 1.741 2.684 0.059 9 0 "[ . 1]" 1
1022 1 186 SER H 1 189 TRP H 5.220 . 5.720 5.138 4.842 5.256 . 0 0 "[ . 1]" 1
1023 1 186 SER HA 1 186 SER QB 2.650 . 3.120 2.344 2.265 2.515 . 0 0 "[ . 1]" 1
1024 1 186 SER HA 1 187 GLY H 2.680 . 3.180 3.056 2.339 3.327 0.147 1 0 "[ . 1]" 1
1025 1 187 GLY H 1 187 GLY HA3 2.400 . 2.900 2.911 2.702 2.948 0.048 9 0 "[ . 1]" 1
1026 1 187 GLY H 1 187 GLY HA2 2.400 . 2.900 2.418 2.308 2.526 . 0 0 "[ . 1]" 1
1027 1 187 GLY H 1 188 ASP H 3.450 . 3.950 2.092 1.769 2.912 0.031 1 0 "[ . 1]" 1
1028 1 187 GLY H 1 189 TRP H 4.970 . 5.470 4.277 4.048 5.152 . 0 0 "[ . 1]" 1
1029 1 187 GLY HA3 1 188 ASP H 2.800 . 3.300 3.356 3.332 3.449 0.149 7 0 "[ . 1]" 1
1030 1 187 GLY HA2 1 188 ASP H 2.430 . 2.930 3.089 3.010 3.111 0.181 8 0 "[ . 1]" 1
1031 1 188 ASP H 1 188 ASP HA 2.400 . 2.900 2.919 2.914 2.921 0.021 3 0 "[ . 1]" 1
1032 1 188 ASP H 1 188 ASP QB 2.860 . 2.900 2.606 2.595 2.622 . 0 0 "[ . 1]" 1
1033 1 188 ASP H 1 189 TRP H 2.400 . 2.900 2.976 2.959 3.040 0.140 6 0 "[ . 1]" 1
1034 1 188 ASP HA 1 188 ASP QB 2.590 . 3.090 2.547 2.545 2.550 . 0 0 "[ . 1]" 1
1035 1 188 ASP HA 1 189 TRP H 2.400 . 2.900 2.491 2.474 2.537 . 0 0 "[ . 1]" 1
1036 1 188 ASP QB 1 189 TRP H 4.600 . 5.040 3.935 3.926 3.953 . 0 0 "[ . 1]" 1
1037 1 189 TRP H 1 189 TRP QB 2.400 . 2.900 2.507 2.423 2.595 . 0 0 "[ . 1]" 1
1038 1 189 TRP H 1 189 TRP HD1 5.500 . 6.000 5.119 5.027 5.210 . 0 0 "[ . 1]" 1
1039 1 189 TRP H 1 189 TRP HE3 3.500 . 4.500 4.670 4.612 4.702 0.202 6 0 "[ . 1]" 1
1040 1 189 TRP HA 1 189 TRP HE3 5.280 . 5.780 1.795 1.787 1.824 0.013 7 0 "[ . 1]" 1
1041 1 189 TRP QB 1 190 GLU H . . 5.290 3.808 3.689 3.905 . 0 0 "[ . 1]" 1
1042 1 189 TRP HE3 1 190 GLU H 3.210 . 3.710 2.002 1.858 2.286 . 0 0 "[ . 1]" 1
1043 1 190 GLU H 1 190 GLU HA 2.650 . 3.150 2.921 2.896 2.945 . 0 0 "[ . 1]" 1
1044 1 190 GLU H 1 190 GLU QB 2.770 . 3.150 2.395 2.131 2.834 . 0 0 "[ . 1]" 1
1045 1 191 GLY HA3 1 192 GLU H 2.400 . 2.900 2.160 2.113 2.345 . 0 0 "[ . 1]" 1
1046 1 191 GLY HA2 1 192 GLU H 2.800 . 3.300 3.316 3.220 3.497 0.197 9 0 "[ . 1]" 1
1047 1 192 GLU H 1 192 GLU HA 2.800 . 3.300 2.826 2.608 2.868 . 0 0 "[ . 1]" 1
1048 1 192 GLU H 1 192 GLU QB 3.280 . 3.780 3.113 2.798 3.341 . 0 0 "[ . 1]" 1
1049 1 192 GLU HA 1 193 GLN H 2.800 . 3.300 3.493 3.361 3.543 0.243 3 0 "[ . 1]" 1
1050 1 193 GLN H 1 193 GLN HA 2.930 . 3.430 2.913 2.899 2.935 . 0 0 "[ . 1]" 1
1051 1 193 GLN H 1 193 GLN QB 3.280 . 3.780 2.569 2.128 3.014 . 0 0 "[ . 1]" 1
1052 1 193 GLN HA 1 194 GLY H 2.400 . 2.900 2.217 2.138 2.317 . 0 0 "[ . 1]" 1
1053 1 193 GLN QB 1 194 GLY H 4.110 . 4.610 3.187 2.771 3.615 . 0 0 "[ . 1]" 1
1054 1 194 GLY H 1 194 GLY HA3 2.900 . 3.400 2.415 2.325 2.671 . 0 0 "[ . 1]" 1
1055 1 194 GLY H 1 194 GLY HA2 2.900 . 3.400 2.571 2.338 2.701 . 0 0 "[ . 1]" 1
1056 1 194 GLY HA3 1 195 SER H 2.800 . 3.300 3.344 3.322 3.380 0.080 7 0 "[ . 1]" 1
1057 1 194 GLY HA2 1 195 SER H 2.520 . 3.020 2.115 2.090 2.152 . 0 0 "[ . 1]" 1
1058 1 195 SER HA 1 197 ILE H 4.850 . 5.350 4.582 3.351 5.227 . 0 0 "[ . 1]" 1
1059 1 195 SER QB 1 197 ILE H 3.550 . 4.050 3.423 2.181 3.956 . 0 0 "[ . 1]" 1
1060 1 197 ILE H 1 197 ILE HB 2.650 . 3.150 3.047 2.253 3.435 0.285 3 0 "[ . 1]" 1
1061 1 197 ILE HA 1 197 ILE MD 4.200 . 4.700 2.382 1.699 3.747 0.101 5 0 "[ . 1]" 1
1062 1 197 ILE HA 1 200 LEU QB 5.630 . 6.130 4.122 2.843 5.651 . 0 0 "[ . 1]" 1
1063 1 197 ILE HA 1 200 LEU MD2 4.980 . 5.480 3.865 2.492 4.680 . 0 0 "[ . 1]" 1
1064 1 197 ILE HB 1 198 ASP H 4.540 . 5.040 4.286 3.878 4.656 . 0 0 "[ . 1]" 1
1065 1 197 ILE MG 1 198 ASP H 6.530 . 7.030 3.759 3.093 4.457 . 0 0 "[ . 1]" 1
1066 1 197 ILE MG 1 199 ALA MB 7.460 . 7.960 5.215 4.839 5.513 . 0 0 "[ . 1]" 1
1067 1 197 ILE MG 1 224 ALA MB 7.560 . 8.060 2.531 1.910 3.061 . 0 0 "[ . 1]" 1
1068 1 197 ILE MG 1 225 ALA HA 4.670 . 5.170 3.405 2.986 4.117 . 0 0 "[ . 1]" 1
1069 1 197 ILE MG 1 225 ALA MB 4.980 . 5.480 3.624 3.406 3.697 . 0 0 "[ . 1]" 1
1070 1 197 ILE QG 1 200 LEU MD2 5.360 . 5.860 3.257 1.669 3.970 0.131 10 0 "[ . 1]" 1
1071 1 197 ILE MD 1 199 ALA H 6.530 . 7.030 4.247 3.866 4.626 . 0 0 "[ . 1]" 1
1072 1 197 ILE MD 1 199 ALA HA 6.530 . 7.030 5.729 5.444 5.918 . 0 0 "[ . 1]" 1
1073 1 197 ILE MD 1 199 ALA MB 6.190 . 6.690 4.022 3.626 4.686 . 0 0 "[ . 1]" 1
1074 1 197 ILE MD 1 224 ALA MB 7.560 . 8.060 4.438 3.438 4.839 . 0 0 "[ . 1]" 1
1075 1 197 ILE MD 1 225 ALA HA 5.500 . 6.000 4.043 2.637 5.054 . 0 0 "[ . 1]" 1
1076 1 197 ILE MD 1 225 ALA MB 5.660 . 6.160 3.556 2.432 4.077 . 0 0 "[ . 1]" 1
1077 1 198 ASP H 1 198 ASP QB 3.680 . 4.180 2.317 2.027 2.715 . 0 0 "[ . 1]" 1
1078 1 198 ASP H 1 199 ALA H 2.710 . 3.210 2.635 2.457 2.759 . 0 0 "[ . 1]" 1
1079 1 198 ASP HA 1 201 ARG H 4.630 . 5.130 3.428 3.315 3.631 . 0 0 "[ . 1]" 1
1080 1 198 ASP HA 1 202 GLU H 4.910 . 5.410 4.656 4.430 4.862 . 0 0 "[ . 1]" 1
1081 1 198 ASP QB 1 199 ALA H 3.800 . 4.300 2.751 2.651 2.856 . 0 0 "[ . 1]" 1
1082 1 198 ASP QB 1 200 LEU H 6.070 . 6.570 4.780 4.566 5.029 . 0 0 "[ . 1]" 1
1083 1 199 ALA H 1 199 ALA HA 2.650 . 3.150 2.780 2.749 2.793 . 0 0 "[ . 1]" 1
1084 1 199 ALA H 1 199 ALA MB 3.430 . 3.930 2.140 2.063 2.232 . 0 0 "[ . 1]" 1
1085 1 199 ALA H 1 200 LEU H 3.020 . 3.520 2.795 2.658 3.004 . 0 0 "[ . 1]" 1
1086 1 199 ALA HA 1 200 LEU H 4.910 . 5.410 3.532 3.478 3.583 . 0 0 "[ . 1]" 1
1087 1 199 ALA MB 1 200 LEU H 3.430 . 3.930 2.674 2.501 2.865 . 0 0 "[ . 1]" 1
1088 1 200 LEU H 1 200 LEU HA 2.550 . 3.050 2.839 2.820 2.853 . 0 0 "[ . 1]" 1
1089 1 200 LEU H 1 200 LEU QB 3.430 . 3.930 2.230 1.995 3.013 . 0 0 "[ . 1]" 1
1090 1 200 LEU H 1 201 ARG H 3.110 . 3.610 2.555 2.499 2.606 . 0 0 "[ . 1]" 1
1091 1 200 LEU HA 1 200 LEU MD1 4.140 . 4.640 2.109 1.843 2.686 . 0 0 "[ . 1]" 1
1092 1 200 LEU HA 1 200 LEU MD2 4.140 . 4.640 2.833 2.104 3.704 . 0 0 "[ . 1]" 1
1093 1 200 LEU HA 1 203 ASP H 4.970 . 5.470 3.308 3.093 3.515 . 0 0 "[ . 1]" 1
1094 1 200 LEU QB 1 201 ARG H 3.830 . 4.330 2.866 2.633 3.162 . 0 0 "[ . 1]" 1
1095 1 201 ARG H 1 201 ARG HA 2.680 . 3.180 2.794 2.784 2.799 . 0 0 "[ . 1]" 1
1096 1 201 ARG H 1 201 ARG QB 2.590 . 3.050 2.565 2.030 2.723 . 0 0 "[ . 1]" 1
1097 1 201 ARG H 1 202 GLU H 2.830 . 3.330 2.766 2.660 2.891 . 0 0 "[ . 1]" 1
1098 1 201 ARG H 1 228 LEU QD 5.310 . 5.810 2.840 2.437 3.024 . 0 0 "[ . 1]" 1
1099 1 201 ARG HA 1 204 LEU MD1 4.360 . 4.860 2.217 1.830 3.527 . 0 0 "[ . 1]" 1
1100 1 201 ARG HA 1 204 LEU MD2 4.820 . 5.320 2.978 2.487 3.643 . 0 0 "[ . 1]" 1
1101 1 201 ARG HA 1 205 GLU H 5.100 . 5.600 4.720 4.662 4.765 . 0 0 "[ . 1]" 1
1102 1 201 ARG QB 1 202 GLU H 2.400 . 2.900 2.340 2.279 2.449 . 0 0 "[ . 1]" 1
1103 1 201 ARG QD 1 228 LEU MD1 6.100 . 6.600 3.555 3.240 4.296 . 0 0 "[ . 1]" 1
1104 1 202 GLU H 1 202 GLU HA 2.400 . 2.900 2.846 2.827 2.858 . 0 0 "[ . 1]" 1
1105 1 202 GLU H 1 202 GLU QB 3.340 . 3.840 2.391 2.065 2.797 . 0 0 "[ . 1]" 1
1106 1 202 GLU H 1 203 ASP H 2.430 . 2.930 2.580 2.490 2.675 . 0 0 "[ . 1]" 1
1107 1 202 GLU H 1 228 LEU QD 5.930 . 6.430 4.652 4.482 4.780 . 0 0 "[ . 1]" 1
1108 1 202 GLU HA 1 205 GLU H 2.400 . 2.900 3.156 3.114 3.195 0.295 6 0 "[ . 1]" 1
1109 1 202 GLU QB 1 203 ASP H 3.560 . 4.060 2.795 2.561 2.891 . 0 0 "[ . 1]" 1
1110 1 202 GLU QG 1 203 ASP H 6.380 . 6.880 4.148 3.524 4.592 . 0 0 "[ . 1]" 1
1111 1 202 GLU QG 1 205 GLU H 6.380 . 6.880 5.189 4.693 5.515 . 0 0 "[ . 1]" 1
1112 1 203 ASP H 1 203 ASP HA 2.550 . 3.050 2.804 2.797 2.814 . 0 0 "[ . 1]" 1
1113 1 203 ASP H 1 203 ASP QB 2.620 . 3.120 2.280 2.079 2.582 . 0 0 "[ . 1]" 1
1114 1 203 ASP H 1 204 LEU H 2.740 . 3.240 2.670 2.518 2.769 . 0 0 "[ . 1]" 1
1115 1 203 ASP HA 1 206 SER H 2.400 . 2.900 3.106 3.023 3.166 0.266 6 0 "[ . 1]" 1
1116 1 203 ASP QB 1 204 LEU H 4.480 . 4.980 2.717 2.594 2.893 . 0 0 "[ . 1]" 1
1117 1 204 LEU H 1 204 LEU HA 2.960 . 3.460 2.809 2.803 2.822 . 0 0 "[ . 1]" 1
1118 1 204 LEU H 1 204 LEU QB 2.400 . 2.900 2.671 2.009 2.957 0.057 3 0 "[ . 1]" 1
1119 1 204 LEU H 1 205 GLU H 2.770 . 3.270 2.630 2.596 2.664 . 0 0 "[ . 1]" 1
1120 1 204 LEU H 1 206 SER H 5.100 . 5.600 3.704 3.631 3.769 . 0 0 "[ . 1]" 1
1121 1 204 LEU HA 1 204 LEU HG 3.640 . 4.140 3.175 2.142 3.632 . 0 0 "[ . 1]" 1
1122 1 204 LEU HA 1 207 SER H 4.040 . 4.540 4.416 3.477 4.607 0.067 2 0 "[ . 1]" 1
1123 1 204 LEU QB 1 205 GLU H 2.590 . 3.090 2.647 2.519 2.725 . 0 0 "[ . 1]" 1
1124 1 204 LEU MD1 1 232 ARG QD 4.920 . 4.950 2.328 1.716 3.584 0.084 9 0 "[ . 1]" 1
1125 1 204 LEU MD2 1 232 ARG QD . . 5.200 3.486 2.247 4.031 . 0 0 "[ . 1]" 1
1126 1 205 GLU H 1 205 GLU HA 2.400 . 2.900 2.832 2.815 2.874 . 0 0 "[ . 1]" 1
1127 1 205 GLU H 1 205 GLU QB 3.280 . 3.780 2.082 2.038 2.300 . 0 0 "[ . 1]" 1
1128 1 205 GLU H 1 206 SER H 2.400 . 2.900 2.583 2.424 2.648 . 0 0 "[ . 1]" 1
1129 1 205 GLU HA 1 205 GLU QG . . 3.020 2.199 2.004 2.592 . 0 0 "[ . 1]" 1
1130 1 205 GLU QB 1 206 SER H 3.740 . 4.240 3.071 2.983 3.193 . 0 0 "[ . 1]" 1
1131 1 205 GLU QB 1 207 SER H 6.380 . 6.880 5.566 4.622 5.772 . 0 0 "[ . 1]" 1
1132 1 206 SER H 1 206 SER HA 2.400 . 2.900 2.900 2.848 2.942 0.042 9 0 "[ . 1]" 1
1133 1 206 SER H 1 206 SER QB 3.280 . 3.780 2.266 2.118 2.417 . 0 0 "[ . 1]" 1
1134 1 206 SER HA 1 206 SER QB 2.400 . 2.900 2.385 2.214 2.516 . 0 0 "[ . 1]" 1
1135 1 206 SER QB 1 207 SER H 3.490 . 3.990 2.151 1.838 3.589 . 0 0 "[ . 1]" 1
1136 1 207 SER H 1 207 SER HA 2.400 . 2.900 2.691 2.281 2.791 . 0 0 "[ . 1]" 1
1137 1 207 SER H 1 207 SER QB 3.280 . 3.780 3.302 2.965 3.505 . 0 0 "[ . 1]" 1
1138 1 207 SER H 1 208 ASP H 3.110 . 3.610 2.742 1.779 3.429 0.021 10 0 "[ . 1]" 1
1139 1 207 SER HA 1 207 SER QB 2.460 . 2.960 2.285 2.155 2.525 . 0 0 "[ . 1]" 1
1140 1 207 SER QB 1 208 ASP H 3.490 . 3.990 3.643 3.315 3.792 . 0 0 "[ . 1]" 1
1141 1 208 ASP H 1 208 ASP HA 2.400 . 2.900 2.762 2.639 2.926 0.026 4 0 "[ . 1]" 1
1142 1 208 ASP H 1 209 ALA H 2.400 . 2.900 2.686 1.872 3.082 0.182 10 0 "[ . 1]" 1
1143 1 208 ASP HA 1 209 ALA HA 4.850 . 5.350 4.357 4.315 4.403 . 0 0 "[ . 1]" 1
1144 1 208 ASP QB 1 209 ALA H 5.010 . 5.510 3.873 3.774 3.921 . 0 0 "[ . 1]" 1
1145 1 209 ALA H 1 209 ALA HA 2.400 . 2.900 2.546 2.333 2.691 . 0 0 "[ . 1]" 1
1146 1 209 ALA H 1 209 ALA MB 3.430 . 3.930 3.054 2.989 3.105 . 0 0 "[ . 1]" 1
1147 1 209 ALA H 1 210 ASN H 2.590 . 3.090 3.267 3.186 3.372 0.282 2 0 "[ . 1]" 1
1148 1 209 ALA HA 1 210 ASN H 2.400 . 2.900 2.132 2.093 2.162 . 0 0 "[ . 1]" 1
1149 1 209 ALA HA 1 210 ASN HA 4.480 . 4.980 4.322 4.302 4.343 . 0 0 "[ . 1]" 1
1150 1 209 ALA MB 1 210 ASN H 3.430 . 3.930 3.413 3.315 3.478 . 0 0 "[ . 1]" 1
1151 1 209 ALA MB 1 210 ASN HA 5.750 . 6.250 4.097 4.042 4.168 . 0 0 "[ . 1]" 1
1152 1 209 ALA MB 1 211 PRO QD 5.380 . 5.880 4.324 4.294 4.384 . 0 0 "[ . 1]" 1
1153 1 210 ASN H 1 210 ASN HA 2.490 . 2.990 2.783 2.762 2.832 . 0 0 "[ . 1]" 1
1154 1 210 ASN H 1 210 ASN QB 2.990 . 3.090 2.949 2.840 2.979 . 0 0 "[ . 1]" 1
1155 1 210 ASN H 1 211 PRO QD 6.380 . 6.880 1.841 1.750 1.885 0.050 6 0 "[ . 1]" 1
1156 1 210 ASN HA 1 211 PRO QG 6.380 . 6.880 5.122 5.069 5.161 . 0 0 "[ . 1]" 1
1157 1 210 ASN HA 1 211 PRO QD 3.580 . 4.080 3.480 3.475 3.491 . 0 0 "[ . 1]" 1
1158 1 210 ASN HA 1 234 ILE MD 5.410 . 5.910 2.208 1.796 3.391 0.004 6 0 "[ . 1]" 1
1159 1 211 PRO QG 1 213 ILE MD 5.540 . 6.040 4.255 3.906 4.345 . 0 0 "[ . 1]" 1
1160 1 211 PRO QD 1 234 ILE MD 5.320 . 5.820 4.198 4.105 4.314 . 0 0 "[ . 1]" 1
1161 1 212 ASP H 1 239 VAL MG2 4.330 . 4.830 3.973 3.875 4.018 . 0 0 "[ . 1]" 1
1162 1 212 ASP H 1 240 PHE QD 7.620 . 8.120 7.344 7.088 7.439 . 0 0 "[ . 1]" 1
1163 1 212 ASP HA 1 213 ILE H 2.430 . 2.930 2.140 2.112 2.179 . 0 0 "[ . 1]" 1
1164 1 212 ASP QB 1 213 ILE H 4.050 . 4.550 3.494 3.482 3.508 . 0 0 "[ . 1]" 1
1165 1 213 ILE H 1 213 ILE HB 3.700 . 4.200 2.530 2.392 2.585 . 0 0 "[ . 1]" 1
1166 1 213 ILE H 1 213 ILE MG 3.430 . 3.930 3.083 3.054 3.110 . 0 0 "[ . 1]" 1
1167 1 213 ILE H 1 238 GLN H 5.250 . 5.750 4.929 4.511 5.182 . 0 0 "[ . 1]" 1
1168 1 213 ILE H 1 239 VAL HA 4.850 . 5.350 2.342 1.764 4.650 0.036 10 0 "[ . 1]" 1
1169 1 213 ILE H 1 240 PHE H 2.400 . 2.900 3.112 3.038 3.207 0.307 10 0 "[ . 1]" 1
1170 1 213 ILE H 1 240 PHE QD 7.620 . 8.120 4.548 4.248 5.303 . 0 0 "[ . 1]" 1
1171 1 213 ILE H 1 240 PHE QE 7.620 . 8.120 4.750 4.302 6.128 . 0 0 "[ . 1]" 1
1172 1 213 ILE HA 1 214 TYR H 2.550 . 3.050 2.124 2.091 2.152 . 0 0 "[ . 1]" 1
1173 1 213 ILE MG 1 214 TYR H 3.610 . 4.110 3.184 3.089 3.241 . 0 0 "[ . 1]" 1
1174 1 214 TYR H 1 214 TYR QB . . 3.270 2.729 2.614 2.852 . 0 0 "[ . 1]" 1
1175 1 214 TYR HA 1 215 LEU H 2.620 . 3.120 2.088 2.047 2.112 . 0 0 "[ . 1]" 1
1176 1 214 TYR HA 1 240 PHE H 4.820 . 5.320 3.488 3.318 3.910 . 0 0 "[ . 1]" 1
1177 1 214 TYR QD 1 215 LEU H 7.640 . 8.140 4.258 4.134 4.413 . 0 0 "[ . 1]" 1
1178 1 214 TYR QE 1 215 LEU H 7.630 . 8.130 6.459 6.338 6.578 . 0 0 "[ . 1]" 1
1179 1 215 LEU H 1 215 LEU HG 5.500 . 6.000 3.409 2.436 4.585 . 0 0 "[ . 1]" 1
1180 1 215 LEU H 1 240 PHE H 4.970 . 5.470 4.728 4.391 5.438 . 0 0 "[ . 1]" 1
1181 1 215 LEU H 1 241 PHE HA 4.790 . 5.290 2.689 2.435 3.076 . 0 0 "[ . 1]" 1
1182 1 215 LEU HA 1 216 CYS H 2.400 . 2.900 2.132 2.094 2.174 . 0 0 "[ . 1]" 1
1183 1 215 LEU HG 1 216 CYS H 4.420 . 4.920 4.595 2.974 5.119 0.199 7 0 "[ . 1]" 1
1184 1 215 LEU MD1 1 222 ILE HA 5.570 . 6.070 2.870 1.937 3.657 . 0 0 "[ . 1]" 1
1185 1 215 LEU MD1 1 222 ILE MG 7.560 . 8.060 4.689 3.813 5.415 . 0 0 "[ . 1]" 1
1186 1 215 LEU MD1 1 225 ALA HA 4.670 . 5.170 4.289 4.239 4.358 . 0 0 "[ . 1]" 1
1187 1 215 LEU MD1 1 225 ALA MB 4.980 . 5.480 1.928 1.785 2.042 0.015 5 0 "[ . 1]" 1
1188 1 215 LEU MD1 1 241 PHE HA 6.530 . 7.030 3.485 2.821 4.500 . 0 0 "[ . 1]" 1
1189 1 215 LEU MD1 1 241 PHE QB 7.060 . 7.560 2.598 1.859 3.927 . 0 0 "[ . 1]" 1
1190 1 215 LEU MD2 1 222 ILE HA 6.530 . 7.030 3.888 1.780 5.793 0.020 10 0 "[ . 1]" 1
1191 1 215 LEU MD2 1 225 ALA HA 5.810 . 6.310 5.138 5.042 5.232 . 0 0 "[ . 1]" 1
1192 1 215 LEU MD2 1 225 ALA MB 5.010 . 5.510 2.798 2.545 3.018 . 0 0 "[ . 1]" 1
1193 1 216 CYS H 1 216 CYS HA 2.960 . 3.460 2.947 2.944 2.949 . 0 0 "[ . 1]" 1
1194 1 216 CYS HA 1 217 GLY H 2.680 . 3.180 2.178 2.162 2.201 . 0 0 "[ . 1]" 1
1195 1 216 CYS HA 1 222 ILE MD 5.190 . 5.690 4.143 2.925 4.686 . 0 0 "[ . 1]" 1
1196 1 216 CYS HA 1 242 GLU H 4.940 . 5.440 3.421 3.143 3.686 . 0 0 "[ . 1]" 1
1197 1 216 CYS QB 1 217 GLY H 6.380 . 6.880 3.642 3.177 3.945 . 0 0 "[ . 1]" 1
1198 1 216 CYS QB 1 242 GLU H 6.380 . 6.880 5.083 4.780 5.475 . 0 0 "[ . 1]" 1
1199 1 217 GLY H 1 222 ILE MD 6.530 . 7.030 3.942 2.402 4.817 . 0 0 "[ . 1]" 1
1200 1 218 PRO HA 1 219 PRO QD 5.040 . 5.540 2.097 1.907 2.321 . 0 0 "[ . 1]" 1
1201 1 218 PRO QB 1 219 PRO QD 4.950 . 5.080 2.647 1.801 3.732 . 0 0 "[ . 1]" 1
1202 1 219 PRO HA 1 222 ILE H 4.010 . 4.510 3.667 3.419 3.896 . 0 0 "[ . 1]" 1
1203 1 219 PRO HA 1 222 ILE HB 3.730 . 4.230 2.740 2.464 3.275 . 0 0 "[ . 1]" 1
1204 1 219 PRO HA 1 222 ILE MG 6.530 . 7.030 2.908 2.311 3.590 . 0 0 "[ . 1]" 1
1205 1 219 PRO HA 1 222 ILE MD 6.530 . 7.030 3.392 2.778 4.507 . 0 0 "[ . 1]" 1
1206 1 219 PRO QB 1 220 GLY H 5.260 . 5.760 2.945 2.157 3.581 . 0 0 "[ . 1]" 1
1207 1 219 PRO QG 1 220 GLY H 6.380 . 6.880 2.900 1.938 4.106 . 0 0 "[ . 1]" 1
1208 1 220 GLY H 1 220 GLY HA3 2.430 . 2.930 2.310 2.296 2.335 . 0 0 "[ . 1]" 1
1209 1 220 GLY H 1 220 GLY HA2 2.490 . 2.990 2.837 2.772 2.897 . 0 0 "[ . 1]" 1
1210 1 220 GLY H 1 221 MET H 4.910 . 5.410 2.739 2.495 2.926 . 0 0 "[ . 1]" 1
1211 1 220 GLY H 1 221 MET QB 6.380 . 6.880 4.463 4.166 4.658 . 0 0 "[ . 1]" 1
1212 1 220 GLY HA3 1 221 MET H 5.000 . 5.500 2.759 2.673 2.871 . 0 0 "[ . 1]" 1
1213 1 220 GLY HA3 1 223 ASP H 3.400 . 3.900 4.117 4.025 4.215 0.315 7 0 "[ . 1]" 1
1214 1 220 GLY HA3 1 224 ALA H 3.800 . 4.300 4.414 4.278 4.524 0.224 4 0 "[ . 1]" 1
1215 1 220 GLY HA2 1 221 MET H 4.940 . 5.440 3.589 3.553 3.613 . 0 0 "[ . 1]" 1
1216 1 220 GLY HA2 1 223 ASP H 4.600 . 5.100 2.884 2.774 2.996 . 0 0 "[ . 1]" 1
1217 1 220 GLY HA2 1 224 ALA H 4.760 . 5.260 3.588 3.350 3.864 . 0 0 "[ . 1]" 1
1218 1 221 MET H 1 222 ILE H 4.010 . 4.510 2.580 2.542 2.631 . 0 0 "[ . 1]" 1
1219 1 221 MET HA 1 222 ILE H 5.070 . 5.570 3.440 3.416 3.477 . 0 0 "[ . 1]" 1
1220 1 221 MET QB 1 222 ILE H 3.800 . 4.300 2.984 2.731 3.453 . 0 0 "[ . 1]" 1
1221 1 222 ILE H 1 222 ILE HB 2.620 . 3.120 2.121 2.082 2.143 . 0 0 "[ . 1]" 1
1222 1 222 ILE H 1 223 ASP H 4.010 . 4.510 2.435 2.387 2.535 . 0 0 "[ . 1]" 1
1223 1 222 ILE HA 1 225 ALA H 5.190 . 5.690 4.016 3.465 4.435 . 0 0 "[ . 1]" 1
1224 1 222 ILE HA 1 225 ALA MB 5.230 . 5.730 3.056 2.217 3.600 . 0 0 "[ . 1]" 1
1225 1 222 ILE HB 1 223 ASP H 2.740 . 3.240 3.277 3.139 3.348 0.108 10 0 "[ . 1]" 1
1226 1 222 ILE MG 1 223 ASP H 6.530 . 7.030 2.312 2.128 2.471 . 0 0 "[ . 1]" 1
1227 1 222 ILE MG 1 243 LYS H 6.530 . 7.030 5.501 4.668 5.773 . 0 0 "[ . 1]" 1
1228 1 222 ILE MD 1 242 GLU H 6.530 . 7.030 2.297 1.692 2.915 0.108 2 0 "[ . 1]" 1
1229 1 222 ILE MD 1 243 LYS H 5.690 . 6.190 3.596 2.748 4.666 . 0 0 "[ . 1]" 1
1230 1 222 ILE MD 1 243 LYS HA 4.510 . 5.010 3.138 2.833 3.344 . 0 0 "[ . 1]" 1
1231 1 222 ILE MD 1 244 PHE QD 8.650 . 9.150 6.074 4.682 6.590 . 0 0 "[ . 1]" 1
1232 1 223 ASP H 1 223 ASP HA 2.930 . 3.430 2.859 2.836 2.869 . 0 0 "[ . 1]" 1
1233 1 223 ASP H 1 223 ASP QB 3.620 . 4.120 2.258 2.057 2.493 . 0 0 "[ . 1]" 1
1234 1 223 ASP H 1 224 ALA H 2.620 . 3.120 2.630 2.536 2.684 . 0 0 "[ . 1]" 1
1235 1 223 ASP HA 1 226 CYS H 4.570 . 5.070 3.852 3.428 4.208 . 0 0 "[ . 1]" 1
1236 1 223 ASP HA 1 226 CYS QB 4.040 . 4.540 3.006 2.401 3.378 . 0 0 "[ . 1]" 1
1237 1 223 ASP QB 1 224 ALA H 3.870 . 4.370 2.521 2.415 2.607 . 0 0 "[ . 1]" 1
1238 1 224 ALA H 1 224 ALA HA 2.400 . 2.900 2.845 2.805 2.862 . 0 0 "[ . 1]" 1
1239 1 224 ALA H 1 224 ALA MB 3.430 . 3.930 2.121 2.049 2.246 . 0 0 "[ . 1]" 1
1240 1 224 ALA H 1 225 ALA H 2.620 . 3.120 2.648 2.538 2.796 . 0 0 "[ . 1]" 1
1241 1 224 ALA HA 1 225 ALA H 4.010 . 4.510 3.557 3.503 3.588 . 0 0 "[ . 1]" 1
1242 1 224 ALA HA 1 227 GLU H 3.240 . 3.740 3.374 3.097 3.765 0.025 5 0 "[ . 1]" 1
1243 1 224 ALA MB 1 225 ALA H 3.430 . 3.930 2.550 2.453 2.703 . 0 0 "[ . 1]" 1
1244 1 225 ALA H 1 225 ALA HA 2.860 . 3.360 2.813 2.798 2.843 . 0 0 "[ . 1]" 1
1245 1 225 ALA H 1 225 ALA MB 3.430 . 3.930 2.152 2.068 2.233 . 0 0 "[ . 1]" 1
1246 1 225 ALA H 1 226 CYS H 2.650 . 3.150 2.653 2.532 2.704 . 0 0 "[ . 1]" 1
1247 1 225 ALA HA 1 228 LEU H 4.010 . 4.510 3.509 3.460 3.579 . 0 0 "[ . 1]" 1
1248 1 225 ALA HA 1 228 LEU QB 3.860 . 4.360 3.803 2.220 4.049 . 0 0 "[ . 1]" 1
1249 1 225 ALA MB 1 226 CYS H 3.740 . 4.240 2.683 2.566 2.853 . 0 0 "[ . 1]" 1
1250 1 226 CYS H 1 226 CYS HA 2.400 . 2.900 2.847 2.829 2.853 . 0 0 "[ . 1]" 1
1251 1 226 CYS H 1 226 CYS QB 2.740 . 3.240 2.261 2.200 2.364 . 0 0 "[ . 1]" 1
1252 1 226 CYS H 1 227 GLU H 3.020 . 3.520 2.503 2.445 2.694 . 0 0 "[ . 1]" 1
1253 1 226 CYS HA 1 229 VAL H 4.630 . 5.130 3.559 3.356 3.761 . 0 0 "[ . 1]" 1
1254 1 226 CYS HA 1 229 VAL MG1 4.760 . 5.260 4.286 4.150 4.400 . 0 0 "[ . 1]" 1
1255 1 226 CYS HA 1 229 VAL MG2 5.100 . 5.600 2.243 1.840 3.880 . 0 0 "[ . 1]" 1
1256 1 226 CYS QB 1 227 GLU H 4.510 . 5.010 2.834 2.477 3.503 . 0 0 "[ . 1]" 1
1257 1 227 GLU H 1 227 GLU HA 2.460 . 2.960 2.831 2.810 2.845 . 0 0 "[ . 1]" 1
1258 1 227 GLU H 1 227 GLU QB 2.400 . 2.900 2.100 2.041 2.209 . 0 0 "[ . 1]" 1
1259 1 227 GLU H 1 228 LEU QD 7.630 . 8.130 3.867 3.569 5.314 . 0 0 "[ . 1]" 1
1260 1 227 GLU HA 1 227 GLU QB 2.400 . 2.900 2.516 2.470 2.540 . 0 0 "[ . 1]" 1
1261 1 227 GLU HA 1 227 GLU QG . . 3.330 2.221 2.005 2.486 . 0 0 "[ . 1]" 1
1262 1 227 GLU HA 1 230 ARG H 3.140 . 3.640 3.534 3.429 3.690 0.050 5 0 "[ . 1]" 1
1263 1 227 GLU QB 1 228 LEU H 2.800 . 2.900 2.650 2.594 2.751 . 0 0 "[ . 1]" 1
1264 1 228 LEU H 1 228 LEU HA 2.590 . 3.090 2.786 2.779 2.796 . 0 0 "[ . 1]" 1
1265 1 228 LEU H 1 228 LEU QB 2.400 . 2.900 2.849 1.988 2.951 0.051 9 0 "[ . 1]" 1
1266 1 228 LEU H 1 228 LEU HG 3.830 . 4.330 1.930 1.703 3.729 0.097 2 0 "[ . 1]" 1
1267 1 228 LEU H 1 229 VAL H 3.050 . 3.550 2.670 2.625 2.772 . 0 0 "[ . 1]" 1
1268 1 228 LEU HA 1 228 LEU QB 2.430 . 2.930 2.165 2.121 2.539 . 0 0 "[ . 1]" 1
1269 1 228 LEU HA 1 228 LEU HG 4.140 . 4.640 3.545 3.138 3.609 . 0 0 "[ . 1]" 1
1270 1 228 LEU HA 1 228 LEU MD1 4.200 . 4.700 4.035 3.610 4.093 . 0 0 "[ . 1]" 1
1271 1 228 LEU HA 1 229 VAL H 4.720 . 5.220 3.507 3.489 3.525 . 0 0 "[ . 1]" 1
1272 1 228 LEU QB 1 229 VAL H 2.960 . 3.460 2.831 2.207 2.960 . 0 0 "[ . 1]" 1
1273 1 228 LEU HG 1 229 VAL H 5.500 . 6.000 3.067 2.739 4.801 . 0 0 "[ . 1]" 1
1274 1 228 LEU MD1 1 229 VAL HA 5.260 . 5.760 4.702 4.508 4.772 . 0 0 "[ . 1]" 1
1275 1 228 LEU MD1 1 229 VAL MG2 4.460 . 4.960 3.092 2.977 3.261 . 0 0 "[ . 1]" 1
1276 1 228 LEU MD2 1 229 VAL MG2 6.070 . 6.570 4.458 4.313 4.540 . 0 0 "[ . 1]" 1
1277 1 229 VAL H 1 230 ARG H 2.620 . 3.120 2.681 2.615 2.742 . 0 0 "[ . 1]" 1
1278 1 229 VAL HA 1 234 ILE MD 5.600 . 6.100 3.232 2.446 3.975 . 0 0 "[ . 1]" 1
1279 1 229 VAL HB 1 234 ILE MD 5.570 . 6.070 4.589 4.106 4.941 . 0 0 "[ . 1]" 1
1280 1 229 VAL QG 1 230 ARG H 5.360 . 5.860 3.197 3.104 3.238 . 0 0 "[ . 1]" 1
1281 1 229 VAL QG 1 233 GLY H 7.620 . 8.120 3.939 3.470 4.332 . 0 0 "[ . 1]" 1
1282 1 230 ARG H 1 230 ARG HA 2.400 . 2.900 2.850 2.815 2.862 . 0 0 "[ . 1]" 1
1283 1 230 ARG H 1 230 ARG QB 3.280 . 3.780 2.211 2.067 2.509 . 0 0 "[ . 1]" 1
1284 1 230 ARG H 1 230 ARG QG 4.240 . 4.740 2.898 2.172 3.457 . 0 0 "[ . 1]" 1
1285 1 230 ARG H 1 231 SER H 2.400 . 2.900 2.485 2.451 2.573 . 0 0 "[ . 1]" 1
1286 1 230 ARG HA 1 230 ARG QB 2.400 . 2.900 2.469 2.333 2.540 . 0 0 "[ . 1]" 1
1287 1 230 ARG QG 1 231 SER H 5.320 . 5.820 4.371 3.975 4.524 . 0 0 "[ . 1]" 1
1288 1 231 SER H 1 231 SER HA 2.400 . 2.900 2.875 2.842 2.918 0.018 5 0 "[ . 1]" 1
1289 1 231 SER H 1 231 SER QB 2.400 . 2.900 2.182 2.060 2.327 . 0 0 "[ . 1]" 1
1290 1 231 SER H 1 232 ARG H 2.990 . 3.490 2.487 2.229 2.634 . 0 0 "[ . 1]" 1
1291 1 231 SER HA 1 231 SER QB 2.520 . 3.020 2.452 2.161 2.539 . 0 0 "[ . 1]" 1
1292 1 231 SER QB 1 232 ARG H 2.900 . 3.270 2.737 2.569 2.954 . 0 0 "[ . 1]" 1
1293 1 232 ARG H 1 232 ARG HA 2.830 . 3.330 2.841 2.778 2.895 . 0 0 "[ . 1]" 1
1294 1 232 ARG H 1 232 ARG QB . . 2.900 2.137 2.076 2.356 . 0 0 "[ . 1]" 1
1295 1 232 ARG H 1 232 ARG QG 3.490 . 3.990 3.412 2.552 3.657 . 0 0 "[ . 1]" 1
1296 1 232 ARG H 1 233 GLY H 2.520 . 3.020 2.892 2.640 3.049 0.029 5 0 "[ . 1]" 1
1297 1 232 ARG HA 1 232 ARG QG 2.960 . 3.460 2.140 2.035 2.410 . 0 0 "[ . 1]" 1
1298 1 232 ARG HA 1 232 ARG QD 3.610 . 4.110 3.439 2.966 3.711 . 0 0 "[ . 1]" 1
1299 1 232 ARG QB 1 233 GLY H . . 4.170 2.225 1.963 2.618 . 0 0 "[ . 1]" 1
1300 1 233 GLY H 1 233 GLY HA3 2.400 . 2.900 2.930 2.893 2.952 0.052 3 0 "[ . 1]" 1
1301 1 233 GLY H 1 233 GLY HA2 2.400 . 2.900 2.583 2.425 2.699 . 0 0 "[ . 1]" 1
1302 1 233 GLY H 1 234 ILE H 2.550 . 3.050 2.463 1.862 3.009 . 0 0 "[ . 1]" 1
1303 1 233 GLY HA3 1 234 ILE H 3.140 . 3.640 2.885 2.650 3.352 . 0 0 "[ . 1]" 1
1304 1 233 GLY HA2 1 234 ILE H 4.480 . 4.980 3.488 3.178 3.591 . 0 0 "[ . 1]" 1
1305 1 234 ILE H 1 234 ILE HA 2.740 . 3.240 2.661 2.564 2.866 . 0 0 "[ . 1]" 1
1306 1 234 ILE H 1 234 ILE HB 3.000 . 3.500 3.360 2.301 3.623 0.123 2 0 "[ . 1]" 1
1307 1 234 ILE H 1 234 ILE MG 3.430 . 3.930 2.331 2.061 2.531 . 0 0 "[ . 1]" 1
1308 1 234 ILE H 1 234 ILE QG 3.790 . 3.920 2.506 1.865 3.898 . 0 0 "[ . 1]" 1
1309 1 234 ILE H 1 235 PRO QD 3.580 . 4.080 3.526 1.993 3.860 . 0 0 "[ . 1]" 1
1310 1 234 ILE HA 1 235 PRO QD 3.140 . 3.640 2.033 1.799 3.433 0.001 7 0 "[ . 1]" 1
1311 1 234 ILE MG 1 235 PRO QG 6.320 . 6.820 4.963 4.809 5.034 . 0 0 "[ . 1]" 1
1312 1 234 ILE MG 1 235 PRO QD 5.540 . 6.040 3.528 3.328 4.023 . 0 0 "[ . 1]" 1
1313 1 234 ILE MD 1 235 PRO QG 7.400 . 7.900 5.422 4.118 5.856 . 0 0 "[ . 1]" 1
1314 1 235 PRO HA 1 236 GLY H 2.400 . 2.900 2.197 2.152 2.365 . 0 0 "[ . 1]" 1
1315 1 235 PRO QB 1 236 GLY H . . 3.860 3.347 2.632 3.570 . 0 0 "[ . 1]" 1
1316 1 236 GLY H 1 236 GLY HA3 2.400 . 2.900 2.484 2.349 2.871 . 0 0 "[ . 1]" 1
1317 1 236 GLY H 1 236 GLY HA2 2.460 . 2.960 2.811 2.313 2.958 . 0 0 "[ . 1]" 1
1318 1 236 GLY HA3 1 237 GLU H 4.570 . 5.070 2.802 2.137 3.362 . 0 0 "[ . 1]" 1
1319 1 236 GLY HA3 1 239 VAL MG2 6.090 . 6.590 2.719 2.114 3.645 . 0 0 "[ . 1]" 1
1320 1 236 GLY HA2 1 237 GLU H 3.550 . 4.050 2.672 2.137 3.292 . 0 0 "[ . 1]" 1
1321 1 236 GLY HA2 1 239 VAL HB 4.820 . 5.320 4.993 3.770 5.423 0.103 2 0 "[ . 1]" 1
1322 1 236 GLY HA2 1 239 VAL MG2 6.530 . 7.030 3.649 2.923 4.706 . 0 0 "[ . 1]" 1
1323 1 237 GLU H 1 237 GLU HA 2.770 . 3.270 2.857 2.313 2.948 . 0 0 "[ . 1]" 1
1324 1 237 GLU H 1 237 GLU QB 3.280 . 3.780 2.626 2.177 3.016 . 0 0 "[ . 1]" 1
1325 1 237 GLU H 1 237 GLU QG 4.300 . 4.800 3.731 2.737 4.203 . 0 0 "[ . 1]" 1
1326 1 237 GLU H 1 238 GLN H 3.700 . 4.200 2.268 1.856 4.211 0.011 6 0 "[ . 1]" 1
1327 1 237 GLU H 1 239 VAL H 5.310 . 5.810 3.785 3.176 5.163 . 0 0 "[ . 1]" 1
1328 1 238 GLN H 1 238 GLN HA 2.680 . 3.180 2.932 2.920 2.938 . 0 0 "[ . 1]" 1
1329 1 238 GLN H 1 238 GLN QB . . 2.900 2.444 2.389 2.523 . 0 0 "[ . 1]" 1
1330 1 238 GLN H 1 238 GLN QG . . 3.180 2.774 2.542 2.948 . 0 0 "[ . 1]" 1
1331 1 238 GLN H 1 239 VAL H 2.400 . 2.900 2.756 1.916 2.922 0.022 8 0 "[ . 1]" 1
1332 1 238 GLN H 1 239 VAL MG1 6.120 . 6.620 5.595 5.480 5.634 . 0 0 "[ . 1]" 1
1333 1 238 GLN H 1 239 VAL MG2 4.790 . 5.290 3.926 3.523 4.248 . 0 0 "[ . 1]" 1
1334 1 238 GLN HA 1 239 VAL H 2.800 . 3.300 2.950 2.765 3.497 0.197 2 0 "[ . 1]" 1
1335 1 239 VAL H 1 239 VAL HB 2.400 . 2.900 2.464 2.243 3.293 0.393 2 0 "[ . 1]" 1
1336 1 239 VAL H 1 239 VAL MG2 3.430 . 3.930 3.059 2.770 3.183 . 0 0 "[ . 1]" 1
1337 1 239 VAL HA 1 240 PHE H 2.430 . 2.930 2.385 2.092 3.469 0.539 6 2 "[ - .+ 1]" 1
1338 1 239 VAL MG1 1 240 PHE H 3.430 . 3.930 2.330 1.819 2.613 . 0 0 "[ . 1]" 1
1339 1 239 VAL MG1 1 241 PHE H 6.530 . 7.030 4.482 4.194 5.056 . 0 0 "[ . 1]" 1
1340 1 239 VAL MG2 1 240 PHE H 3.580 . 4.080 3.491 3.435 3.673 . 0 0 "[ . 1]" 1
1341 1 240 PHE HA 1 241 PHE H 2.400 . 2.900 2.208 2.123 2.271 . 0 0 "[ . 1]" 1
1342 1 240 PHE QB 1 241 PHE H 5.160 . 5.660 2.989 2.787 3.215 . 0 0 "[ . 1]" 1
1343 1 240 PHE QD 1 241 PHE H 7.620 . 8.120 4.474 3.979 4.677 . 0 0 "[ . 1]" 1
1344 1 241 PHE HA 1 242 GLU H 3.420 . 3.920 2.204 2.145 2.292 . 0 0 "[ . 1]" 1
1345 1 241 PHE QD 1 242 GLU H 7.620 . 8.120 4.540 4.079 4.854 . 0 0 "[ . 1]" 1
1346 1 241 PHE QD 1 243 LYS H 7.620 . 8.120 6.238 5.099 7.397 . 0 0 "[ . 1]" 1
1347 1 242 GLU HA 1 243 LYS H 2.400 . 2.900 2.302 2.267 2.339 . 0 0 "[ . 1]" 1
1348 1 243 LYS H 1 243 LYS HA 2.990 . 3.490 2.947 2.939 2.951 . 0 0 "[ . 1]" 1
1349 1 243 LYS HA 1 244 PHE H 4.630 . 5.130 2.156 2.137 2.172 . 0 0 "[ . 1]" 1
1350 1 244 PHE HA 1 245 LEU H 3.270 . 3.770 2.266 2.240 2.303 . 0 0 "[ . 1]" 1
1351 1 245 LEU H 1 245 LEU HG 3.330 . 3.830 3.810 3.558 4.045 0.215 3 0 "[ . 1]" 1
1352 1 245 LEU HA 1 245 LEU MD2 4.260 . 4.760 2.864 1.765 4.064 0.035 7 0 "[ . 1]" 1
1353 1 246 PRO HA 1 247 SER H 2.490 . 2.990 3.105 2.821 3.389 0.399 4 0 "[ . 1]" 1
1354 1 247 SER H 1 247 SER HA 2.800 . 3.300 2.667 2.321 2.873 . 0 0 "[ . 1]" 1
1355 1 247 SER HA 1 248 GLY H 2.400 . 2.900 2.467 2.139 3.310 0.410 10 0 "[ . 1]" 1
1356 1 247 SER QB 1 248 GLY H 2.860 . 3.360 2.862 2.329 3.014 . 0 0 "[ . 1]" 1
1357 1 248 GLY H 1 248 GLY HA3 2.400 . 2.900 2.834 2.475 2.946 0.046 8 0 "[ . 1]" 1
1358 1 248 GLY H 1 248 GLY HA2 2.400 . 2.900 2.686 2.513 2.943 0.043 3 0 "[ . 1]" 1
1359 1 248 GLY HA3 1 249 ALA H 2.400 . 2.900 2.841 2.416 3.068 0.168 8 0 "[ . 1]" 1
1360 1 248 GLY HA2 1 249 ALA H 2.900 . 3.400 3.447 3.365 3.535 0.135 6 0 "[ . 1]" 1
1361 1 249 ALA H 1 249 ALA HA 2.830 . 3.330 2.935 2.929 2.943 . 0 0 "[ . 1]" 1
1362 1 249 ALA H 1 249 ALA MB 3.430 . 3.930 2.333 2.244 2.414 . 0 0 "[ . 1]" 1
1363 1 249 ALA HA 1 250 ALA H 2.400 . 2.900 2.240 2.158 2.325 . 0 0 "[ . 1]" 1
1364 1 249 ALA MB 1 250 ALA H 3.520 . 4.020 2.921 2.530 3.388 . 0 0 "[ . 1]" 1
1365 1 2 ARG H 1 3 ILE H 5.500 . 6.000 3.056 2.065 4.553 . 0 0 "[ . 1]" 1
1366 1 8 VAL H 1 9 GLY H 3.400 . 3.900 4.008 3.963 4.099 0.199 8 0 "[ . 1]" 1
1367 1 18 LEU H 1 19 ASN QD 5.500 . 5.600 4.949 4.759 5.168 . 0 0 "[ . 1]" 1
1368 1 19 ASN H 1 20 TRP H 4.350 . 4.850 4.424 4.273 4.559 . 0 0 "[ . 1]" 1
1369 1 19 ASN QD 1 20 TRP H 5.500 . 6.000 3.696 3.471 3.903 . 0 0 "[ . 1]" 1
1370 1 19 ASN QD 1 21 VAL H 4.690 . 5.190 3.100 3.001 3.264 . 0 0 "[ . 1]" 1
1371 1 19 ASN QD 1 22 SER H 4.690 . 5.190 4.908 4.796 4.983 . 0 0 "[ . 1]" 1
1372 1 20 TRP H 1 21 VAL H 5.500 . 6.000 4.328 4.301 4.356 . 0 0 "[ . 1]" 1
1373 1 20 TRP QB 1 22 SER H 3.700 . 4.200 3.498 2.993 3.678 . 0 0 "[ . 1]" 1
1374 1 21 VAL H 1 22 SER HG 4.170 . 4.670 4.789 4.774 4.802 0.132 2 0 "[ . 1]" 1
1375 1 21 VAL H 1 25 THR HG1 4.910 . 5.410 5.433 5.376 5.479 0.069 7 0 "[ . 1]" 1
1376 1 22 SER H 1 22 SER HG 3.950 . 4.450 3.295 2.909 3.404 . 0 0 "[ . 1]" 1
1377 1 22 SER H 1 25 THR HG1 4.140 . 4.640 3.775 3.695 3.843 . 0 0 "[ . 1]" 1
1378 1 23 SER H 1 24 ASN H 2.400 . 2.900 2.904 2.644 2.962 0.062 3 0 "[ . 1]" 1
1379 1 23 SER H 1 25 THR HG1 3.050 . 3.550 3.701 3.644 3.840 0.290 2 0 "[ . 1]" 1
1380 1 24 ASN H 1 25 THR HG1 2.460 . 2.960 2.620 2.521 2.853 . 0 0 "[ . 1]" 1
1381 1 25 THR H 1 25 THR HG1 2.400 . 2.900 2.469 2.305 2.965 0.065 2 0 "[ . 1]" 1
1382 1 32 LYS H 1 33 ARG H 5.500 . 6.000 2.749 1.793 4.483 0.007 1 0 "[ . 1]" 1
1383 1 35 ASP H 1 37 CYS H 3.390 . 3.890 3.541 3.081 4.013 0.123 4 0 "[ . 1]" 1
1384 1 35 ASP H 1 38 GLY H 2.990 . 3.490 3.380 2.346 4.095 0.605 9 1 "[ . +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 19
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 154.771
_Distance_constraint_stats_list.Viol_max 0.771
_Distance_constraint_stats_list.Viol_rms 0.1277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0815
_Distance_constraint_stats_list.Viol_average_violations_only 0.1517
_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 35 ASP 2.299 0.771 5 1 "[ + 1]"
1 37 CYS 1.994 0.329 10 0 "[ . 1]"
1 38 GLY 1.286 0.667 4 1 "[ +. 1]"
1 39 ASN 1.286 0.667 4 1 "[ +. 1]"
1 41 GLY 2.299 0.771 5 1 "[ + 1]"
1 43 LYS 4.749 0.588 6 2 "[ -.+ 1]"
1 44 PHE 0.590 0.178 2 0 "[ . 1]"
1 45 GLU 1.780 0.268 9 0 "[ . 1]"
1 47 GLY 1.167 0.171 4 0 "[ . 1]"
1 48 GLN 1.332 0.268 9 0 "[ . 1]"
1 49 PHE 0.168 0.105 10 0 "[ . 1]"
1 53 THR 2.302 0.268 6 0 "[ . 1]"
1 54 ILE 0.348 0.065 7 0 "[ . 1]"
1 56 GLY 2.097 0.268 6 0 "[ . 1]"
1 57 THR 0.143 0.054 10 0 "[ . 1]"
1 67 ASN 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 2.308 0.588 6 2 "[ -.+ 1]"
1 70 ASN 1.887 0.373 5 0 "[ . 1]"
1 72 GLU 0.810 0.211 1 0 "[ . 1]"
1 73 GLY 0.169 0.111 4 0 "[ . 1]"
1 74 ARG 1.015 0.329 10 0 "[ . 1]"
1 108 GLY 0.168 0.105 10 0 "[ . 1]"
1 135 MET 0.755 0.171 4 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 35 ASP H 1 41 GLY H 3.330 . 4.330 4.518 4.069 5.101 0.771 5 1 "[ + 1]" 2
2 1 38 GLY H 1 39 ASN H 2.400 . 2.900 2.719 1.752 3.567 0.667 4 1 "[ +. 1]" 2
3 1 41 GLY H 1 67 ASN QD 5.500 . 5.750 4.925 3.095 5.336 . 0 0 "[ . 1]" 2
4 1 43 LYS H 1 44 PHE H 3.330 . 3.830 3.012 1.819 4.008 0.178 2 0 "[ . 1]" 2
5 1 43 LYS H 1 68 LEU H 4.450 . 4.950 5.178 4.925 5.538 0.588 6 2 "[ -.+ 1]" 2
6 1 43 LYS H 1 70 ASN H 2.900 . 3.400 3.468 2.219 3.773 0.373 5 0 "[ . 1]" 2
7 1 43 LYS H 1 70 ASN QD 5.500 . 6.000 5.083 4.819 5.432 . 0 0 "[ . 1]" 2
8 1 37 CYS H 1 72 GLU H 5.310 . 5.810 5.497 4.404 6.021 0.211 1 0 "[ . 1]" 2
9 1 37 CYS H 1 73 GLY H 4.290 . 4.790 3.790 1.689 4.574 0.111 4 0 "[ . 1]" 2
10 1 37 CYS H 1 74 ARG H 3.500 . 4.000 3.961 3.266 4.329 0.329 10 0 "[ . 1]" 2
11 1 44 PHE H 1 45 GLU H 3.860 . 4.360 3.655 3.078 4.396 0.036 3 0 "[ . 1]" 2
12 1 45 GLU H 1 47 GLY H 4.010 . 4.510 4.427 4.013 4.656 0.146 3 0 "[ . 1]" 2
13 1 45 GLU H 1 48 GLN H 3.550 . 4.050 4.173 3.946 4.318 0.268 9 0 "[ . 1]" 2
14 1 47 GLY H 1 135 MET H 4.230 . 4.730 4.790 4.570 4.901 0.171 4 0 "[ . 1]" 2
15 1 48 GLN H 1 49 PHE H 4.760 . 5.260 4.628 4.398 4.690 . 0 0 "[ . 1]" 2
16 1 49 PHE H 1 108 GLY H . . 5.000 4.928 4.637 5.105 0.105 10 0 "[ . 1]" 2
17 1 53 THR H 1 54 ILE H 4.000 . 4.500 4.520 4.497 4.565 0.065 7 0 "[ . 1]" 2
18 1 53 THR H 1 56 GLY H 2.900 . 3.400 3.610 3.555 3.668 0.268 6 0 "[ . 1]" 2
19 1 54 ILE H 1 57 THR H 4.450 . 4.950 4.783 4.387 5.004 0.054 10 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 94.706
_Distance_constraint_stats_list.Viol_max 0.917
_Distance_constraint_stats_list.Viol_rms 0.1386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0364
_Distance_constraint_stats_list.Viol_average_violations_only 0.1553
_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 56 GLY 0.007 0.007 4 0 "[ . 1]"
1 57 THR 0.927 0.133 5 0 "[ . 1]"
1 58 ASP 0.393 0.081 9 0 "[ . 1]"
1 59 VAL 0.515 0.133 5 0 "[ . 1]"
1 60 SER 0.158 0.050 6 0 "[ . 1]"
1 61 ARG 0.158 0.050 6 0 "[ . 1]"
1 63 TYR 0.000 0.000 . 0 "[ . 1]"
1 64 SER 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 0.128 0.084 5 0 "[ . 1]"
1 67 ASN 7.218 0.917 9 9 "[ *****-*+*]"
1 68 LEU 0.000 0.000 . 0 "[ . 1]"
1 70 ASN 0.000 0.000 . 0 "[ . 1]"
1 74 ARG 7.536 0.917 9 9 "[ *****-*+*]"
1 75 LEU 0.567 0.231 3 0 "[ . 1]"
1 76 GLU 0.254 0.112 5 0 "[ . 1]"
1 78 LEU 0.123 0.084 5 0 "[ . 1]"
1 80 ARG 0.000 0.000 . 0 "[ . 1]"
1 81 VAL 0.000 0.000 . 0 "[ . 1]"
1 82 LEU 0.193 0.057 1 0 "[ . 1]"
1 85 GLY 0.009 0.009 5 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 87 PHE 0.286 0.067 4 0 "[ . 1]"
1 88 SER 0.179 0.057 1 0 "[ . 1]"
1 89 ASP 0.281 0.067 4 0 "[ . 1]"
1 90 TYR 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 56 GLY H 1 57 THR HG1 3.480 . 3.980 3.659 3.339 3.987 0.007 4 0 "[ . 1]" 3
2 1 57 THR H 1 57 THR HG1 2.400 . 2.900 2.572 2.325 2.913 0.013 3 0 "[ . 1]" 3
3 1 57 THR H 1 58 ASP H 3.200 . 3.700 3.734 3.672 3.781 0.081 9 0 "[ . 1]" 3
4 1 57 THR HG1 1 58 ASP H 3.170 . 3.670 2.127 1.784 2.377 0.016 5 0 "[ . 1]" 3
5 1 57 THR HG1 1 59 VAL H 2.520 . 3.020 3.055 2.905 3.153 0.133 5 0 "[ . 1]" 3
6 1 60 SER H 1 61 ARG H 2.800 . 3.300 2.868 2.210 3.350 0.050 6 0 "[ . 1]" 3
7 1 63 TYR QB 1 64 SER H 3.610 . 4.110 3.748 3.704 3.826 . 0 0 "[ . 1]" 3
8 1 63 TYR QD 1 64 SER H 7.640 . 8.140 2.949 2.714 3.233 . 0 0 "[ . 1]" 3
9 1 63 TYR QD 1 80 ARG H 7.640 . 8.140 5.425 5.047 5.815 . 0 0 "[ . 1]" 3
10 1 66 ALA H 1 76 GLU H 3.480 . 3.980 2.188 1.795 2.712 0.005 4 0 "[ . 1]" 3
11 1 66 ALA H 1 78 LEU H 5.500 . 6.000 5.840 5.409 6.084 0.084 5 0 "[ . 1]" 3
12 1 67 ASN H 1 68 LEU H 3.580 . 4.080 2.874 2.092 4.052 . 0 0 "[ . 1]" 3
13 1 67 ASN H 1 70 ASN QD 5.500 . 5.690 4.928 4.241 5.275 . 0 0 "[ . 1]" 3
14 1 67 ASN H 1 76 GLU H 4.200 . 4.700 4.617 4.004 4.812 0.112 5 0 "[ . 1]" 3
15 1 67 ASN H 1 74 ARG H 4.210 . 5.210 5.907 5.710 6.127 0.917 9 9 "[ *****-*+*]" 3
16 1 68 LEU H 1 70 ASN QD 3.640 . 4.140 3.075 1.878 3.606 . 0 0 "[ . 1]" 3
17 1 74 ARG H 1 75 LEU H 3.330 . 3.830 3.770 3.290 4.061 0.231 3 0 "[ . 1]" 3
18 1 80 ARG H 1 81 VAL H 4.110 . 4.610 4.236 4.159 4.362 . 0 0 "[ . 1]" 3
19 1 82 LEU H 1 87 PHE H 4.140 . 4.640 3.748 3.082 4.654 0.014 9 0 "[ . 1]" 3
20 1 82 LEU H 1 88 SER H 2.860 . 3.360 3.352 3.214 3.417 0.057 1 0 "[ . 1]" 3
21 1 85 GLY H 1 86 ARG H 4.350 . 4.850 2.579 1.861 3.982 . 0 0 "[ . 1]" 3
22 1 85 GLY H 1 89 ASP H 3.580 . 4.080 3.519 2.626 4.089 0.009 5 0 "[ . 1]" 3
23 1 86 ARG H 1 87 PHE H 3.480 . 3.980 2.869 1.848 3.496 . 0 0 "[ . 1]" 3
24 1 86 ARG H 1 88 SER H 4.010 . 4.510 3.330 2.729 4.034 . 0 0 "[ . 1]" 3
25 1 87 PHE H 1 89 ASP H 3.300 . 3.800 3.817 3.751 3.867 0.067 4 0 "[ . 1]" 3
26 1 87 PHE H 1 90 TYR H 5.500 . 6.000 4.826 4.610 5.039 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 80
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 52.567
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0956
_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 11 PHE 0.292 0.091 2 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 20 TRP 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 PHE 0.083 0.069 4 0 "[ . 1]"
1 30 LEU 2.007 0.247 4 0 "[ . 1]"
1 49 PHE 0.030 0.030 5 0 "[ . 1]"
1 52 LEU 1.557 0.230 9 0 "[ . 1]"
1 54 ILE 0.000 0.000 . 0 "[ . 1]"
1 75 LEU 0.000 0.000 . 0 "[ . 1]"
1 77 PHE 0.000 0.000 . 0 "[ . 1]"
1 78 LEU 0.000 0.000 . 0 "[ . 1]"
1 79 ILE 0.000 0.000 . 0 "[ . 1]"
1 81 VAL 0.225 0.104 10 0 "[ . 1]"
1 87 PHE 0.029 0.029 8 0 "[ . 1]"
1 91 LEU 0.254 0.104 10 0 "[ . 1]"
1 101 LEU 3.481 0.247 4 0 "[ . 1]"
1 103 VAL 0.292 0.091 2 0 "[ . 1]"
1 107 LEU 0.030 0.030 5 0 "[ . 1]"
1 112 LEU 0.113 0.058 1 0 "[ . 1]"
1 121 TYR 0.000 0.000 . 0 "[ . 1]"
1 122 PHE 0.114 0.058 1 0 "[ . 1]"
1 129 LEU 0.000 0.000 . 0 "[ . 1]"
1 132 VAL 0.000 0.000 . 0 "[ . 1]"
1 133 VAL 0.000 0.000 . 0 "[ . 1]"
1 136 VAL 0.001 0.001 5 0 "[ . 1]"
1 150 ILE 0.000 0.000 . 0 "[ . 1]"
1 151 TYR 0.000 0.000 . 0 "[ . 1]"
1 152 PHE 0.000 0.000 . 0 "[ . 1]"
1 154 VAL 1.002 0.185 5 0 "[ . 1]"
1 160 LEU 1.002 0.185 5 0 "[ . 1]"
1 161 PHE 0.000 0.000 . 0 "[ . 1]"
1 162 TYR 0.000 0.000 . 0 "[ . 1]"
1 176 LEU 0.000 0.000 . 0 "[ . 1]"
1 182 VAL 0.000 0.000 . 0 "[ . 1]"
1 189 TRP 0.000 0.000 . 0 "[ . 1]"
1 200 LEU 0.000 0.000 . 0 "[ . 1]"
1 213 ILE 0.000 0.000 . 0 "[ . 1]"
1 214 TYR 0.000 0.000 . 0 "[ . 1]"
1 215 LEU 0.000 0.000 . 0 "[ . 1]"
1 222 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 11 PHE QD 1 103 VAL MG1 5.000 . 6.000 2.464 1.806 3.706 . 0 0 "[ . 1]" 4
2 1 11 PHE QD 1 103 VAL MG2 7.000 . 8.000 2.496 1.713 4.628 0.087 7 0 "[ . 1]" 4
3 1 11 PHE QE 1 103 VAL MG1 5.000 . 6.000 2.697 1.709 4.482 0.091 2 0 "[ . 1]" 4
4 1 11 PHE QE 1 103 VAL MG2 7.000 . 8.000 3.215 1.792 4.518 0.008 9 0 "[ . 1]" 4
5 1 20 TRP HD1 1 26 VAL MG2 7.000 . 8.000 3.414 1.933 5.322 . 0 0 "[ . 1]" 4
6 1 20 TRP HE3 1 26 VAL MG2 7.000 . 8.000 6.172 5.194 6.739 . 0 0 "[ . 1]" 4
7 1 15 VAL MG1 1 28 PHE QD 7.000 . 8.000 4.065 3.596 4.510 . 0 0 "[ . 1]" 4
8 1 15 VAL MG2 1 28 PHE QD 7.000 . 8.000 5.319 4.598 5.821 . 0 0 "[ . 1]" 4
9 1 18 LEU MD1 1 28 PHE QD 5.000 . 6.000 4.251 3.586 4.492 . 0 0 "[ . 1]" 4
10 1 18 LEU MD2 1 28 PHE QD 7.000 . 8.000 2.887 1.903 4.232 . 0 0 "[ . 1]" 4
11 1 26 VAL MG1 1 28 PHE QD 7.000 . 8.000 4.566 3.682 5.254 . 0 0 "[ . 1]" 4
12 1 28 PHE QD 1 30 LEU MD1 7.000 . 8.000 3.558 3.110 3.995 . 0 0 "[ . 1]" 4
13 1 28 PHE QD 1 30 LEU MD2 7.000 . 8.000 2.761 1.791 3.427 0.009 4 0 "[ . 1]" 4
14 1 28 PHE QD 1 91 LEU MD2 7.000 . 8.000 3.126 1.991 4.411 . 0 0 "[ . 1]" 4
15 1 28 PHE QD 1 101 LEU MD1 7.000 . 8.000 5.790 5.290 6.013 . 0 0 "[ . 1]" 4
16 1 28 PHE QE 1 30 LEU MD1 5.000 . 6.000 3.603 1.805 4.481 . 0 0 "[ . 1]" 4
17 1 28 PHE QE 1 30 LEU MD2 7.000 . 8.000 2.328 1.731 3.483 0.069 4 0 "[ . 1]" 4
18 1 30 LEU MD1 1 52 LEU MD2 . . 6.000 4.158 3.784 4.269 . 0 0 "[ . 1]" 4
19 1 30 LEU MD1 1 101 LEU MD1 . . 6.000 2.863 1.818 3.706 . 0 0 "[ . 1]" 4
20 1 30 LEU MD1 1 101 LEU MD2 . . 6.000 1.678 1.553 1.840 0.247 4 0 "[ . 1]" 4
21 1 30 LEU MD2 1 101 LEU MD1 5.000 . 6.000 3.482 1.740 4.167 0.060 7 0 "[ . 1]" 4
22 1 30 LEU MD2 1 101 LEU MD2 . . 6.000 1.787 1.597 2.148 0.203 8 0 "[ . 1]" 4
23 1 49 PHE QD 1 107 LEU MD1 7.000 . 8.000 3.555 2.068 4.841 . 0 0 "[ . 1]" 4
24 1 49 PHE QD 1 107 LEU MD2 5.000 . 6.000 2.853 1.770 4.408 0.030 5 0 "[ . 1]" 4
25 1 49 PHE QE 1 107 LEU MD1 7.000 . 8.000 4.016 1.860 5.955 . 0 0 "[ . 1]" 4
26 1 52 LEU MD1 1 101 LEU MD1 7.000 . 8.000 1.875 1.570 3.099 0.230 9 0 "[ . 1]" 4
27 1 52 LEU MD1 1 101 LEU MD2 7.000 . 8.000 2.025 1.767 2.720 0.033 2 0 "[ . 1]" 4
28 1 52 LEU MD2 1 101 LEU MD2 7.000 . 8.000 3.704 3.104 4.096 . 0 0 "[ . 1]" 4
29 1 75 LEU MD1 1 103 VAL MG1 7.000 . 8.000 4.039 2.344 5.472 . 0 0 "[ . 1]" 4
30 1 77 PHE QD 1 79 ILE MD 7.000 . 8.000 3.162 1.992 3.788 . 0 0 "[ . 1]" 4
31 1 77 PHE QD 1 101 LEU MD1 7.000 . 8.000 5.583 4.969 5.905 . 0 0 "[ . 1]" 4
32 1 77 PHE QD 1 101 LEU MD2 5.000 . 6.000 4.467 4.284 4.573 . 0 0 "[ . 1]" 4
33 1 26 VAL QG 1 77 PHE QD 7.000 . 8.000 3.678 3.324 4.049 . 0 0 "[ . 1]" 4
34 1 78 LEU MD1 1 129 LEU MD2 7.000 . 8.000 3.355 2.264 4.916 . 0 0 "[ . 1]" 4
35 1 18 LEU MD2 1 81 VAL MG2 7.000 . 8.000 5.005 4.074 5.584 . 0 0 "[ . 1]" 4
36 1 81 VAL MG2 1 91 LEU MD1 5.000 . 6.000 3.373 2.121 4.170 . 0 0 "[ . 1]" 4
37 1 81 VAL MG2 1 91 LEU MD2 7.000 . 8.000 4.545 3.337 5.213 . 0 0 "[ . 1]" 4
38 1 54 ILE MD 1 87 PHE QD 7.000 . 8.000 3.844 2.831 4.812 . 0 0 "[ . 1]" 4
39 1 87 PHE QD 1 91 LEU MD1 5.000 . 6.000 2.765 1.973 4.308 . 0 0 "[ . 1]" 4
40 1 87 PHE QD 1 91 LEU MD2 7.000 . 8.000 3.350 1.771 4.318 0.029 8 0 "[ . 1]" 4
41 1 79 ILE MD 1 87 PHE QE 7.000 . 8.000 2.595 1.950 3.589 . 0 0 "[ . 1]" 4
42 1 87 PHE QE 1 91 LEU MD2 5.000 . 6.000 3.427 2.023 4.373 . 0 0 "[ . 1]" 4
43 1 18 LEU MD1 1 91 LEU MD1 7.000 . 8.000 3.285 1.978 4.172 . 0 0 "[ . 1]" 4
44 1 79 ILE MD 1 91 LEU MD1 5.000 . 6.000 3.553 2.040 4.176 . 0 0 "[ . 1]" 4
45 1 81 VAL MG1 1 91 LEU MD1 7.000 . 8.000 2.072 1.696 3.429 0.104 10 0 "[ . 1]" 4
46 1 101 LEU MD2 1 103 VAL MG2 7.000 . 8.000 4.922 2.364 5.614 . 0 0 "[ . 1]" 4
47 1 75 LEU MD1 1 103 VAL MG2 7.000 . 8.000 4.173 2.697 4.825 . 0 0 "[ . 1]" 4
48 1 121 TYR HH 1 200 LEU MD1 7.000 . 8.000 6.520 5.249 6.709 . 0 0 "[ . 1]" 4
49 1 121 TYR HH 1 213 ILE MD 7.000 . 8.000 6.113 4.953 6.478 . 0 0 "[ . 1]" 4
50 1 112 LEU MD2 1 122 PHE QD 7.000 . 8.000 3.389 1.742 4.863 0.058 1 0 "[ . 1]" 4
51 1 122 PHE QD 1 132 VAL MG1 5.000 . 6.000 2.738 2.209 3.469 . 0 0 "[ . 1]" 4
52 1 122 PHE QD 1 132 VAL MG2 5.000 . 6.000 3.937 3.379 4.196 . 0 0 "[ . 1]" 4
53 1 122 PHE QD 1 136 VAL MG2 7.000 . 8.000 2.527 1.817 4.148 . 0 0 "[ . 1]" 4
54 1 112 LEU MD2 1 122 PHE QE 7.000 . 8.000 2.952 1.745 5.518 0.055 3 0 "[ . 1]" 4
55 1 122 PHE QE 1 132 VAL MG1 7.000 . 8.000 2.674 1.809 5.114 . 0 0 "[ . 1]" 4
56 1 122 PHE QE 1 132 VAL MG2 7.000 . 8.000 3.196 1.957 5.812 . 0 0 "[ . 1]" 4
57 1 122 PHE QE 1 136 VAL MG2 7.000 . 8.000 3.197 1.799 4.568 0.001 5 0 "[ . 1]" 4
58 1 78 LEU MD2 1 129 LEU MD2 7.000 . 8.000 3.851 1.908 4.764 . 0 0 "[ . 1]" 4
59 1 132 VAL MG1 1 136 VAL MG1 5.000 . 6.000 4.186 4.164 4.211 . 0 0 "[ . 1]" 4
60 1 136 VAL MG2 1 150 ILE MD 5.000 . 6.000 3.187 1.801 4.068 . 0 0 "[ . 1]" 4
61 1 136 VAL MG2 1 176 LEU MD2 7.500 . 8.500 5.497 5.029 5.925 . 0 0 "[ . 1]" 4
62 1 151 TYR QE 1 200 LEU MD1 7.000 . 8.000 2.800 2.153 3.799 . 0 0 "[ . 1]" 4
63 1 129 LEU MD1 1 152 PHE QD 7.000 . 8.000 2.336 1.900 2.963 . 0 0 "[ . 1]" 4
64 1 152 PHE QD 1 160 LEU MD1 7.000 . 8.000 4.787 3.310 5.902 . 0 0 "[ . 1]" 4
65 1 152 PHE QD 1 160 LEU MD2 7.000 . 8.000 4.191 3.469 5.761 . 0 0 "[ . 1]" 4
66 1 129 LEU MD1 1 152 PHE QE 7.000 . 8.000 2.507 1.823 3.346 . 0 0 "[ . 1]" 4
67 1 129 LEU MD2 1 152 PHE QE 7.000 . 8.000 3.668 3.181 4.492 . 0 0 "[ . 1]" 4
68 1 154 VAL MG2 1 160 LEU MD2 5.000 . 6.000 1.700 1.615 1.763 0.185 5 0 "[ . 1]" 4
69 1 129 LEU MD2 1 161 PHE QE 7.500 . 8.500 5.087 4.008 5.654 . 0 0 "[ . 1]" 4
70 1 129 LEU MD2 1 162 TYR QD 7.000 . 8.000 4.574 3.629 5.392 . 0 0 "[ . 1]" 4
71 1 133 VAL MG2 1 162 TYR QD 7.000 . 8.000 4.673 3.715 5.426 . 0 0 "[ . 1]" 4
72 1 129 LEU MD2 1 162 TYR QE 7.000 . 8.000 5.206 4.144 5.801 . 0 0 "[ . 1]" 4
73 1 133 VAL MG2 1 162 TYR QE 7.000 . 8.000 3.978 2.730 4.795 . 0 0 "[ . 1]" 4
74 1 182 VAL MG1 1 189 TRP HD1 7.000 . 8.000 4.602 3.860 4.966 . 0 0 "[ . 1]" 4
75 1 182 VAL MG2 1 189 TRP HD1 7.000 . 8.000 2.868 2.495 3.141 . 0 0 "[ . 1]" 4
76 1 182 VAL MG2 1 189 TRP HE3 7.000 . 8.000 6.760 6.679 6.896 . 0 0 "[ . 1]" 4
77 1 182 VAL MG2 1 189 TRP H 7.000 . 8.000 5.800 5.602 6.179 . 0 0 "[ . 1]" 4
78 1 182 VAL MG2 1 189 TRP HZ2 7.000 . 8.000 6.686 6.370 6.811 . 0 0 "[ . 1]" 4
79 1 112 LEU MD2 1 214 TYR QD 7.000 . 8.000 4.733 3.153 5.704 . 0 0 "[ . 1]" 4
80 1 215 LEU MD1 1 222 ILE MD 7.000 . 8.000 3.698 2.419 5.183 . 0 0 "[ . 1]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 163
_Distance_constraint_stats_list.Viol_count 466
_Distance_constraint_stats_list.Viol_total 694.354
_Distance_constraint_stats_list.Viol_max 0.940
_Distance_constraint_stats_list.Viol_rms 0.1003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0426
_Distance_constraint_stats_list.Viol_average_violations_only 0.1490
_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 33 ARG 6.572 0.940 6 9 "[** -*+****]"
1 40 ARG 6.572 0.940 6 9 "[** -*+****]"
1 41 GLY 0.333 0.195 10 0 "[ . 1]"
1 48 GLN 0.014 0.014 6 0 "[ . 1]"
1 49 PHE 0.410 0.160 4 0 "[ . 1]"
1 54 ILE 0.000 0.000 . 0 "[ . 1]"
1 59 VAL 0.000 0.000 . 0 "[ . 1]"
1 64 SER 0.349 0.160 4 0 "[ . 1]"
1 67 ASN 0.127 0.095 1 0 "[ . 1]"
1 71 PRO 0.333 0.195 10 0 "[ . 1]"
1 78 LEU 1.805 0.250 4 0 "[ . 1]"
1 80 ARG 1.874 0.318 9 0 "[ . 1]"
1 89 ASP 0.000 0.000 . 0 "[ . 1]"
1 90 TYR 0.000 0.000 . 0 "[ . 1]"
1 94 ASP 0.411 0.120 8 0 "[ . 1]"
1 95 ALA 0.000 0.000 . 0 "[ . 1]"
1 96 ARG 0.571 0.120 8 0 "[ . 1]"
1 97 VAL 2.359 0.552 7 1 "[ . + 1]"
1 98 GLY 2.199 0.552 7 1 "[ . + 1]"
1 99 GLN 0.000 0.000 . 0 "[ . 1]"
1 100 VAL 0.000 0.000 . 0 "[ . 1]"
1 104 LYS 2.378 0.447 4 0 "[ . 1]"
1 105 GLY 2.378 0.447 4 0 "[ . 1]"
1 107 LEU 0.075 0.029 4 0 "[ . 1]"
1 108 GLY 0.000 0.000 . 0 "[ . 1]"
1 110 PHE 1.516 0.317 9 0 "[ . 1]"
1 111 GLY 1.647 0.317 9 0 "[ . 1]"
1 112 LEU 0.392 0.087 7 0 "[ . 1]"
1 113 LYS 3.487 0.375 4 0 "[ . 1]"
1 114 GLU 1.502 0.208 7 0 "[ . 1]"
1 115 ARG 1.530 0.125 1 0 "[ . 1]"
1 116 GLY 1.577 0.143 3 0 "[ . 1]"
1 117 MET 1.897 0.143 3 0 "[ . 1]"
1 118 ALA 2.463 0.128 3 0 "[ . 1]"
1 120 ARG 0.000 0.000 . 0 "[ . 1]"
1 121 TYR 0.916 0.212 8 0 "[ . 1]"
1 122 PHE 0.627 0.174 8 0 "[ . 1]"
1 123 VAL 1.656 0.195 8 0 "[ . 1]"
1 124 ALA 1.029 0.195 8 0 "[ . 1]"
1 125 GLY 0.000 0.000 . 0 "[ . 1]"
1 126 GLY 2.865 0.383 5 0 "[ . 1]"
1 130 ALA 1.556 0.230 4 0 "[ . 1]"
1 134 SER 0.127 0.095 1 0 "[ . 1]"
1 141 GLU 0.404 0.249 7 0 "[ . 1]"
1 142 TRP 0.891 0.249 7 0 "[ . 1]"
1 143 THR 0.000 0.000 . 0 "[ . 1]"
1 144 ALA 0.487 0.219 1 0 "[ . 1]"
1 146 ASN 0.000 0.000 . 0 "[ . 1]"
1 147 GLU 3.238 0.329 2 0 "[ . 1]"
1 148 THR 0.793 0.197 5 0 "[ . 1]"
1 149 ARG 0.000 0.000 . 0 "[ . 1]"
1 150 ILE 0.525 0.124 5 0 "[ . 1]"
1 151 TYR 1.788 0.212 8 0 "[ . 1]"
1 152 PHE 0.603 0.157 6 0 "[ . 1]"
1 153 GLY 2.865 0.383 5 0 "[ . 1]"
1 154 VAL 0.000 0.000 . 0 "[ . 1]"
1 155 ASN 0.000 0.000 . 0 "[ . 1]"
1 156 THR 0.000 0.000 . 0 "[ . 1]"
1 157 GLU 1.908 0.367 6 0 "[ . 1]"
1 159 GLU 0.874 0.367 6 0 "[ . 1]"
1 161 PHE 0.089 0.033 3 0 "[ . 1]"
1 162 TYR 0.089 0.033 3 0 "[ . 1]"
1 163 ILE 0.993 0.150 7 0 "[ . 1]"
1 164 ASP 0.000 0.000 . 0 "[ . 1]"
1 165 GLU 2.555 0.216 2 0 "[ . 1]"
1 166 LEU 0.000 0.000 . 0 "[ . 1]"
1 167 LYS 1.562 0.216 2 0 "[ . 1]"
1 171 ARG 0.000 0.000 . 0 "[ . 1]"
1 172 SER 0.000 0.000 . 0 "[ . 1]"
1 173 MET 1.239 0.273 7 0 "[ . 1]"
1 174 ARG 1.239 0.273 7 0 "[ . 1]"
1 175 ASN 2.454 0.329 2 0 "[ . 1]"
1 176 LEU 0.000 0.000 . 0 "[ . 1]"
1 177 THR 6.066 0.696 10 10 [**-******+]
1 178 VAL 6.066 0.696 10 10 [**-******+]
1 179 LYS 0.000 0.000 . 0 "[ . 1]"
1 180 ALA 2.117 0.226 10 0 "[ . 1]"
1 181 CYS 2.373 0.226 10 0 "[ . 1]"
1 182 VAL 0.000 0.000 . 0 "[ . 1]"
1 183 TRP 3.055 0.302 8 0 "[ . 1]"
1 184 HIS 0.707 0.170 9 0 "[ . 1]"
1 186 SER 1.034 0.138 4 0 "[ . 1]"
1 188 ASP 0.000 0.000 . 0 "[ . 1]"
1 189 TRP 2.768 0.301 6 0 "[ . 1]"
1 190 GLU 0.000 0.000 . 0 "[ . 1]"
1 191 GLY 0.000 0.000 . 0 "[ . 1]"
1 192 GLU 0.046 0.046 8 0 "[ . 1]"
1 193 GLN 1.573 0.199 10 0 "[ . 1]"
1 194 GLY 5.384 0.302 8 0 "[ . 1]"
1 195 SER 1.878 0.151 5 0 "[ . 1]"
1 205 GLU 1.007 0.162 3 0 "[ . 1]"
1 210 ASN 0.000 0.000 . 0 "[ . 1]"
1 212 ASP 0.000 0.000 . 0 "[ . 1]"
1 214 TYR 1.883 0.233 2 0 "[ . 1]"
1 215 LEU 4.403 0.375 4 0 "[ . 1]"
1 216 CYS 0.000 0.000 . 0 "[ . 1]"
1 221 MET 1.969 0.299 4 0 "[ . 1]"
1 229 VAL 1.255 0.157 5 0 "[ . 1]"
1 231 SER 1.255 0.157 5 0 "[ . 1]"
1 234 ILE 1.007 0.162 3 0 "[ . 1]"
1 239 VAL 0.000 0.000 . 0 "[ . 1]"
1 240 PHE 0.000 0.000 . 0 "[ . 1]"
1 242 GLU 0.428 0.050 3 0 "[ . 1]"
1 243 LYS 0.428 0.050 3 0 "[ . 1]"
1 244 PHE 0.000 0.000 . 0 "[ . 1]"
1 245 LEU 1.992 0.294 3 0 "[ . 1]"
1 247 SER 2.100 0.301 6 0 "[ . 1]"
1 248 GLY 2.064 0.299 4 0 "[ . 1]"
1 249 ALA 0.255 0.075 9 0 "[ . 1]"
1 250 ALA 0.322 0.148 5 0 "[ . 1]"
2 1 FDA 7.227 0.318 9 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 89 ASP H 1 90 TYR QB 3.830 . 4.330 4.051 3.924 4.120 . 0 0 "[ . 1]" 5
2 1 94 ASP H 1 96 ARG H 3.240 . 3.740 3.779 3.722 3.860 0.120 8 0 "[ . 1]" 5
3 1 95 ALA H 1 96 ARG H 4.720 . 5.220 2.344 2.030 2.805 . 0 0 "[ . 1]" 5
4 1 96 ARG H 1 97 VAL H 4.010 . 4.510 3.687 2.303 4.625 0.115 6 0 "[ . 1]" 5
5 1 97 VAL H 1 98 GLY H 3.110 . 3.610 3.528 2.490 4.162 0.552 7 1 "[ . + 1]" 5
6 1 99 GLN H 1 100 VAL H 4.480 . 4.980 4.470 4.318 4.652 . 0 0 "[ . 1]" 5
7 1 104 LYS H 1 105 GLY H 3.450 . 3.950 4.188 4.077 4.397 0.447 4 0 "[ . 1]" 5
8 1 110 PHE H 1 111 GLY H 3.700 . 4.200 4.352 4.204 4.517 0.317 9 0 "[ . 1]" 5
9 1 111 GLY H 1 112 LEU H 3.170 . 3.670 2.674 1.832 3.745 0.075 6 0 "[ . 1]" 5
10 1 111 GLY H 1 214 TYR QD 5.780 . 6.280 5.585 4.950 6.107 . 0 0 "[ . 1]" 5
11 1 112 LEU H 1 113 LYS H 3.830 . 4.330 4.250 4.055 4.417 0.087 7 0 "[ . 1]" 5
12 1 112 LEU H 1 214 TYR QD 7.640 . 8.140 5.041 4.793 5.422 . 0 0 "[ . 1]" 5
13 1 113 LYS H 1 114 GLU H 3.520 . 4.020 4.090 4.035 4.228 0.208 7 0 "[ . 1]" 5
14 1 113 LYS H 1 214 TYR H 5.500 . 6.000 5.656 5.494 5.917 . 0 0 "[ . 1]" 5
15 1 113 LYS H 1 214 TYR QD 5.280 . 5.780 2.894 2.710 3.146 . 0 0 "[ . 1]" 5
16 1 113 LYS H 1 215 LEU H 5.500 . 6.000 6.252 6.147 6.375 0.375 4 0 "[ . 1]" 5
17 1 114 GLU H 1 115 ARG H 3.950 . 4.450 4.529 4.445 4.575 0.125 1 0 "[ . 1]" 5
18 1 115 ARG H 1 118 ALA H 4.140 . 4.640 4.713 4.687 4.736 0.096 3 0 "[ . 1]" 5
19 1 116 GLY H 1 117 MET H 3.110 . 3.610 3.697 3.604 3.753 0.143 3 0 "[ . 1]" 5
20 1 116 GLY H 1 118 ALA H 4.170 . 4.670 4.738 4.643 4.789 0.119 6 0 "[ . 1]" 5
21 1 117 MET H 1 118 ALA H 3.110 . 3.610 3.712 3.703 3.738 0.128 3 0 "[ . 1]" 5
22 1 118 ALA H 1 146 ASN QD 3.080 . 3.550 2.246 1.873 2.751 . 0 0 "[ . 1]" 5
23 1 120 ARG H 1 121 TYR H 4.200 . 4.700 4.464 4.372 4.514 . 0 0 "[ . 1]" 5
24 1 120 ARG H 1 121 TYR QD 7.640 . 8.140 4.308 3.591 4.779 . 0 0 "[ . 1]" 5
25 1 120 ARG H 1 121 TYR QE 6.330 . 6.830 4.642 4.294 4.896 . 0 0 "[ . 1]" 5
26 1 120 ARG H 1 148 THR HG1 4.820 . 5.320 4.044 3.759 4.271 . 0 0 "[ . 1]" 5
27 1 121 TYR H 1 121 TYR QE 6.950 . 7.450 4.527 4.133 5.074 . 0 0 "[ . 1]" 5
28 1 121 TYR H 1 122 PHE H 5.500 . 6.000 4.343 4.254 4.460 . 0 0 "[ . 1]" 5
29 1 121 TYR H 1 151 TYR QD 5.810 . 6.310 6.303 5.556 6.522 0.212 8 0 "[ . 1]" 5
30 1 121 TYR H 1 151 TYR QE 6.520 . 7.020 5.315 4.433 5.935 . 0 0 "[ . 1]" 5
31 1 121 TYR QB 1 122 PHE H 3.580 . 3.640 3.169 2.785 3.395 . 0 0 "[ . 1]" 5
32 1 121 TYR QB 1 149 ARG H 5.500 . 5.970 4.952 4.373 5.310 . 0 0 "[ . 1]" 5
33 1 121 TYR QD 1 123 VAL H 6.990 . 7.490 6.563 6.410 6.792 . 0 0 "[ . 1]" 5
34 1 121 TYR QE 1 122 PHE H 7.630 . 8.130 6.369 6.027 6.516 . 0 0 "[ . 1]" 5
35 1 121 TYR QE 1 148 THR H 7.630 . 8.130 7.298 6.558 7.612 . 0 0 "[ . 1]" 5
36 1 121 TYR QE 1 149 ARG H 5.830 . 6.330 4.913 4.327 5.239 . 0 0 "[ . 1]" 5
37 1 121 TYR QE 1 150 ILE H 6.140 . 6.640 5.771 5.438 6.261 . 0 0 "[ . 1]" 5
38 1 122 PHE H 1 123 VAL H 3.610 . 4.110 4.173 4.118 4.284 0.174 8 0 "[ . 1]" 5
39 1 122 PHE H 1 151 TYR QD 5.930 . 6.430 4.215 2.529 5.045 . 0 0 "[ . 1]" 5
40 1 122 PHE H 1 151 TYR QE 6.610 . 7.110 4.587 2.135 5.633 . 0 0 "[ . 1]" 5
41 1 122 PHE H 1 214 TYR H 5.500 . 6.000 4.865 4.730 5.095 . 0 0 "[ . 1]" 5
42 1 123 VAL H 1 124 ALA H 3.670 . 4.170 4.273 4.212 4.365 0.195 8 0 "[ . 1]" 5
43 1 123 VAL H 1 151 TYR QD 7.640 . 8.140 4.041 2.768 4.780 . 0 0 "[ . 1]" 5
44 1 123 VAL H 1 214 TYR QB 4.600 . 5.100 3.490 3.326 3.668 . 0 0 "[ . 1]" 5
45 1 124 ALA H 1 125 GLY H 4.480 . 4.980 4.431 4.369 4.469 . 0 0 "[ . 1]" 5
46 1 124 ALA H 1 151 TYR QD 6.960 . 7.460 5.162 3.659 5.584 . 0 0 "[ . 1]" 5
47 1 124 ALA H 1 216 CYS H 4.820 . 5.320 4.568 4.368 4.749 . 0 0 "[ . 1]" 5
48 1 126 GLY H 1 153 GLY H 2.680 . 3.180 3.467 3.375 3.563 0.383 5 0 "[ . 1]" 5
49 1 141 GLU H 1 142 TRP QB 4.790 . 5.290 4.519 3.932 4.855 . 0 0 "[ . 1]" 5
50 1 141 GLU H 1 142 TRP HD1 4.110 . 4.610 3.927 3.364 4.859 0.249 7 0 "[ . 1]" 5
51 1 141 GLU H 1 142 TRP H 3.860 . 4.360 2.549 2.319 2.661 . 0 0 "[ . 1]" 5
52 1 142 TRP QB 1 143 THR H 3.390 . 3.800 3.066 1.812 3.619 . 0 0 "[ . 1]" 5
53 1 142 TRP QB 1 144 ALA H 3.360 . 3.770 3.400 3.177 3.512 . 0 0 "[ . 1]" 5
54 1 142 TRP HD1 1 143 THR H 5.500 . 6.000 2.930 1.813 4.961 . 0 0 "[ . 1]" 5
55 1 142 TRP HD1 1 144 ALA H 5.500 . 6.000 3.700 1.821 6.219 0.219 1 0 "[ . 1]" 5
56 1 146 ASN H 1 146 ASN QD 4.630 . 5.130 4.169 3.480 4.530 . 0 0 "[ . 1]" 5
57 1 146 ASN H 1 148 THR HG1 5.500 . 6.000 4.855 4.302 5.315 . 0 0 "[ . 1]" 5
58 1 146 ASN H 1 175 ASN QD . . 5.470 3.757 3.122 4.485 . 0 0 "[ . 1]" 5
59 1 147 GLU H 1 148 THR H 3.760 . 4.260 4.339 4.283 4.457 0.197 5 0 "[ . 1]" 5
60 1 147 GLU H 1 148 THR HG1 5.130 . 5.630 4.732 4.444 4.945 . 0 0 "[ . 1]" 5
61 1 147 GLU H 1 175 ASN H 4.450 . 4.950 5.194 5.099 5.279 0.329 2 0 "[ . 1]" 5
62 1 147 GLU H 1 175 ASN QD 5.500 . 6.000 2.995 2.776 3.150 . 0 0 "[ . 1]" 5
63 1 148 THR H 1 148 THR HG1 2.400 . 2.900 2.401 1.989 2.881 . 0 0 "[ . 1]" 5
64 1 148 THR HG1 1 175 ASN QD 4.200 . 4.700 4.054 3.965 4.208 . 0 0 "[ . 1]" 5
65 1 149 ARG H 1 151 TYR QE 7.630 . 8.130 6.270 4.968 6.842 . 0 0 "[ . 1]" 5
66 1 149 ARG H 1 177 THR H 4.350 . 4.850 4.582 4.273 4.839 . 0 0 "[ . 1]" 5
67 1 150 ILE H 1 151 TYR H 3.730 . 4.230 4.250 4.055 4.354 0.124 5 0 "[ . 1]" 5
68 1 150 ILE H 1 151 TYR QE 7.630 . 8.130 4.887 4.281 6.343 . 0 0 "[ . 1]" 5
69 1 151 TYR H 1 151 TYR QE 6.110 . 6.610 4.669 3.597 5.152 . 0 0 "[ . 1]" 5
70 1 151 TYR H 1 152 PHE H 3.700 . 4.200 4.219 4.120 4.351 0.151 1 0 "[ . 1]" 5
71 1 151 TYR QB 1 152 PHE H 4.110 . 4.230 3.496 3.300 3.611 . 0 0 "[ . 1]" 5
72 1 151 TYR QD 1 152 PHE H 7.420 . 7.920 4.344 3.855 5.014 . 0 0 "[ . 1]" 5
73 1 151 TYR QE 1 152 PHE H 7.630 . 8.130 6.437 6.051 6.984 . 0 0 "[ . 1]" 5
74 1 152 PHE H 1 181 CYS HG 2.960 . 3.460 3.378 3.102 3.617 0.157 6 0 "[ . 1]" 5
75 1 154 VAL H 1 155 ASN H 3.730 . 4.230 3.705 3.541 3.864 . 0 0 "[ . 1]" 5
76 1 156 THR H 1 157 GLU H 4.140 . 4.640 3.137 2.796 3.599 . 0 0 "[ . 1]" 5
77 1 161 PHE H 1 162 TYR H 3.830 . 4.330 4.313 4.251 4.363 0.033 3 0 "[ . 1]" 5
78 1 161 PHE H 1 162 TYR QB 5.500 . 5.750 3.806 3.689 4.040 . 0 0 "[ . 1]" 5
79 1 162 TYR H 1 162 TYR QE 6.490 . 6.990 5.545 5.080 5.973 . 0 0 "[ . 1]" 5
80 1 162 TYR HA 1 165 GLU H 5.500 . 6.000 3.124 3.011 3.288 . 0 0 "[ . 1]" 5
81 1 162 TYR QB 1 163 ILE H 4.320 . 4.330 3.572 3.454 3.753 . 0 0 "[ . 1]" 5
82 1 162 TYR QB 1 166 LEU H 4.660 . 5.130 4.153 3.861 4.444 . 0 0 "[ . 1]" 5
83 1 162 TYR QD 1 163 ILE H 6.860 . 7.360 4.807 4.551 4.954 . 0 0 "[ . 1]" 5
84 1 162 TYR QD 1 164 ASP H 7.640 . 8.140 5.589 5.011 6.030 . 0 0 "[ . 1]" 5
85 1 162 TYR QD 1 165 GLU H 7.640 . 8.140 4.458 3.407 4.759 . 0 0 "[ . 1]" 5
86 1 162 TYR QD 1 166 LEU H 7.330 . 7.830 4.557 3.730 5.349 . 0 0 "[ . 1]" 5
87 1 162 TYR QE 1 163 ILE H 7.630 . 8.130 6.821 6.666 6.917 . 0 0 "[ . 1]" 5
88 1 162 TYR QE 1 165 GLU H 7.630 . 8.130 5.737 5.412 6.101 . 0 0 "[ . 1]" 5
89 1 163 ILE H 1 165 GLU H 3.270 . 3.770 3.869 3.805 3.920 0.150 7 0 "[ . 1]" 5
90 1 165 GLU H 1 167 LYS H 3.080 . 3.580 3.736 3.665 3.796 0.216 2 0 "[ . 1]" 5
91 1 173 MET H 1 174 ARG H 3.790 . 4.290 4.412 4.268 4.563 0.273 7 0 "[ . 1]" 5
92 1 175 ASN H 1 175 ASN QD 4.970 . 5.470 1.856 1.791 2.101 0.009 2 0 "[ . 1]" 5
93 1 175 ASN QD 1 176 LEU H 5.500 . 6.000 4.341 4.128 4.556 . 0 0 "[ . 1]" 5
94 1 179 LYS H 1 180 ALA H 4.040 . 4.540 4.487 4.434 4.525 . 0 0 "[ . 1]" 5
95 1 180 ALA H 1 181 CYS H 3.450 . 3.950 4.162 4.141 4.176 0.226 10 0 "[ . 1]" 5
96 1 180 ALA H 1 181 CYS HG 5.070 . 5.570 5.098 4.827 5.388 . 0 0 "[ . 1]" 5
97 1 181 CYS H 1 181 CYS HG 2.400 . 2.900 2.554 2.328 2.863 . 0 0 "[ . 1]" 5
98 1 181 CYS H 1 182 VAL H 4.140 . 4.640 4.415 4.374 4.466 . 0 0 "[ . 1]" 5
99 1 182 VAL H 1 183 TRP H 4.420 . 4.920 4.190 4.161 4.233 . 0 0 "[ . 1]" 5
100 1 182 VAL H 1 189 TRP QB 5.100 . 5.600 5.337 5.184 5.415 . 0 0 "[ . 1]" 5
101 1 182 VAL H 1 193 GLN H 5.280 . 5.780 3.921 3.702 4.187 . 0 0 "[ . 1]" 5
102 1 183 TRP H 1 183 TRP HD1 5.500 . 6.000 2.338 2.230 2.434 . 0 0 "[ . 1]" 5
103 1 183 TRP H 1 183 TRP HZ2 5.500 . 6.000 5.275 5.232 5.376 . 0 0 "[ . 1]" 5
104 1 183 TRP H 1 184 HIS H 2.430 . 2.930 2.208 1.871 2.730 . 0 0 "[ . 1]" 5
105 1 183 TRP H 1 194 GLY H 3.450 . 3.950 3.839 3.769 3.893 . 0 0 "[ . 1]" 5
106 1 183 TRP HA 1 194 GLY H 3.000 . 3.500 3.732 3.648 3.802 0.302 8 0 "[ . 1]" 5
107 1 183 TRP QB 1 194 GLY H 4.980 . 5.480 2.387 2.202 2.665 . 0 0 "[ . 1]" 5
108 1 183 TRP HZ2 1 184 HIS H 4.420 . 4.920 4.350 4.133 4.496 . 0 0 "[ . 1]" 5
109 1 184 HIS H 1 194 GLY H 4.400 . 4.900 4.963 4.819 5.070 0.170 9 0 "[ . 1]" 5
110 1 186 SER H 1 189 TRP QB 3.480 . 3.980 3.712 3.597 3.805 . 0 0 "[ . 1]" 5
111 1 188 ASP H 1 189 TRP QB 3.140 . 3.550 3.464 3.437 3.487 . 0 0 "[ . 1]" 5
112 1 189 TRP H 1 190 GLU H 3.860 . 4.360 4.231 4.106 4.332 . 0 0 "[ . 1]" 5
113 1 189 TRP H 1 247 SER H 3.890 2.800 4.390 4.584 4.487 4.691 0.301 6 0 "[ . 1]" 5
114 1 189 TRP H 1 248 GLY H 4.140 . 4.640 4.515 4.031 4.810 0.170 3 0 "[ . 1]" 5
115 1 189 TRP HD1 1 190 GLU H 5.440 . 5.940 5.461 5.019 5.847 . 0 0 "[ . 1]" 5
116 1 189 TRP HD1 1 192 GLU H 3.760 . 4.260 3.999 3.584 4.306 0.046 8 0 "[ . 1]" 5
117 1 189 TRP HD1 1 193 GLN H 5.500 . 6.000 5.624 4.800 6.068 0.068 6 0 "[ . 1]" 5
118 1 189 TRP HE1 1 192 GLU H 3.110 . 3.610 1.924 1.837 2.134 . 0 0 "[ . 1]" 5
119 1 189 TRP HE1 1 194 GLY H 5.500 . 6.000 4.213 3.564 4.513 . 0 0 "[ . 1]" 5
120 1 189 TRP HE1 1 195 SER H 3.830 . 4.330 4.264 4.019 4.461 0.131 6 0 "[ . 1]" 5
121 1 189 TRP HZ2 1 190 GLU H 5.220 . 5.720 3.282 3.163 3.470 . 0 0 "[ . 1]" 5
122 1 189 TRP HZ2 1 192 GLU H 3.980 . 4.480 2.611 2.180 3.255 . 0 0 "[ . 1]" 5
123 1 191 GLY H 1 192 GLU H 4.790 . 5.290 3.984 3.085 4.194 . 0 0 "[ . 1]" 5
124 1 192 GLU H 1 193 GLN H 3.860 . 4.360 3.145 2.626 3.730 . 0 0 "[ . 1]" 5
125 1 193 GLN H 1 194 GLY H 3.860 . 4.360 4.506 4.390 4.559 0.199 10 0 "[ . 1]" 5
126 1 194 GLY H 1 195 SER H 3.640 . 4.140 4.198 3.847 4.291 0.151 5 0 "[ . 1]" 5
127 1 205 GLU H 1 234 ILE H 5.310 . 5.810 5.911 5.847 5.972 0.162 3 0 "[ . 1]" 5
128 1 210 ASN H 1 210 ASN QD 5.500 . 6.000 4.908 4.252 5.238 . 0 0 "[ . 1]" 5
129 1 210 ASN H 1 214 TYR QD 7.640 . 8.140 7.466 7.333 7.615 . 0 0 "[ . 1]" 5
130 1 212 ASP H 1 214 TYR QD 6.370 . 6.870 6.245 6.166 6.355 . 0 0 "[ . 1]" 5
131 1 214 TYR H 1 215 LEU H 3.610 . 4.110 4.298 4.277 4.343 0.233 2 0 "[ . 1]" 5
132 1 214 TYR QB 1 215 LEU H 3.670 . 3.860 3.165 3.044 3.223 . 0 0 "[ . 1]" 5
133 1 214 TYR QD 1 239 VAL H 7.640 . 8.140 6.274 6.174 6.429 . 0 0 "[ . 1]" 5
134 1 214 TYR QD 1 240 PHE H 7.520 . 8.020 3.037 2.598 3.288 . 0 0 "[ . 1]" 5
135 1 215 LEU H 1 216 CYS H 4.690 . 5.190 4.183 4.090 4.264 . 0 0 "[ . 1]" 5
136 1 221 MET H 1 248 GLY H 5.500 . 6.000 6.147 6.049 6.299 0.299 4 0 "[ . 1]" 5
137 1 221 MET H 1 249 ALA H 4.500 . 5.000 4.776 4.479 5.075 0.075 9 0 "[ . 1]" 5
138 1 221 MET H 1 250 ALA H 4.200 . 4.700 3.886 1.971 4.848 0.148 5 0 "[ . 1]" 5
139 1 229 VAL H 1 231 SER H 3.240 . 3.740 3.866 3.845 3.897 0.157 5 0 "[ . 1]" 5
140 1 242 GLU H 1 243 LYS H 3.890 . 4.390 4.433 4.425 4.440 0.050 3 0 "[ . 1]" 5
141 1 247 SER H 1 247 SER HG 2.400 . 2.900 2.798 2.513 2.926 0.026 3 0 "[ . 1]" 5
142 1 247 SER HG 1 248 GLY H 3.700 . 4.200 4.076 3.747 4.241 0.041 4 0 "[ . 1]" 5
143 1 248 GLY H 1 249 ALA H 2.490 . 2.990 2.273 1.759 2.932 0.041 10 0 "[ . 1]" 5
144 1 171 ARG H 1 172 SER H 2.400 . 2.900 2.447 2.400 2.554 . 0 0 "[ . 1]" 5
145 1 177 THR H 1 178 VAL H 3.020 . 3.520 4.127 4.088 4.216 0.696 10 10 [**-******+] 5
146 1 157 GLU H 1 186 SER H 4.000 . 5.000 5.103 5.061 5.138 0.138 4 0 "[ . 1]" 5
147 1 157 GLU H 1 159 GLU H 3.000 . 4.000 3.460 2.797 4.367 0.367 6 0 "[ . 1]" 5
148 1 67 ASN H 1 134 SER HG 3.000 . 4.000 3.709 3.136 4.095 0.095 1 0 "[ . 1]" 5
149 1 33 ARG H 1 40 ARG H 5.000 . 6.000 6.518 4.605 6.940 0.940 6 9 "[** -*+****]" 5
150 1 54 ILE H 1 59 VAL H 5.000 . 6.000 5.377 4.998 5.897 . 0 0 "[ . 1]" 5
151 1 183 TRP HD1 1 195 SER H 3.500 . 4.500 4.574 4.509 4.629 0.129 1 0 "[ . 1]" 5
152 1 78 LEU H 2 1 FDA HN3 3.200 . 4.200 4.380 4.315 4.450 0.250 4 0 "[ . 1]" 5
153 1 80 ARG H 2 1 FDA HN3 3.000 . 4.000 4.187 4.035 4.318 0.318 9 0 "[ . 1]" 5
154 1 245 LEU H 2 1 FDA HN3 4.200 . 5.200 5.399 5.299 5.494 0.294 3 0 "[ . 1]" 5
155 1 64 SER H 2 1 FDA HN3 7.000 . 8.000 6.240 5.953 6.647 . 0 0 "[ . 1]" 5
156 1 244 PHE QD 2 1 FDA HN3 3.200 . 4.200 3.471 3.302 3.658 . 0 0 "[ . 1]" 5
157 1 244 PHE QE 2 1 FDA HN3 3.300 . 4.300 2.897 2.352 3.096 . 0 0 "[ . 1]" 5
158 1 130 ALA H 2 1 FDA HN3 4.000 . 5.000 5.156 5.014 5.230 0.230 4 0 "[ . 1]" 5
159 1 49 PHE H 1 107 LEU H 4.000 . 5.000 4.395 3.708 5.029 0.029 4 0 "[ . 1]" 5
160 1 48 GLN QE 1 107 LEU H 4.000 . 5.000 3.206 1.786 4.098 0.014 6 0 "[ . 1]" 5
161 1 48 GLN QE 1 108 GLY H 4.000 . 5.000 4.014 3.469 4.481 . 0 0 "[ . 1]" 5
162 1 49 PHE QD 1 64 SER H 3.200 . 4.200 3.726 2.926 4.360 0.160 4 0 "[ . 1]" 5
163 1 41 GLY H 1 71 PRO HA 3.200 . 4.200 4.042 3.285 4.395 0.195 10 0 "[ . 1]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 104
_Distance_constraint_stats_list.Viol_count 439
_Distance_constraint_stats_list.Viol_total 359.468
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0581
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0346
_Distance_constraint_stats_list.Viol_average_violations_only 0.0819
_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 9 GLY 0.131 0.074 9 0 "[ . 1]"
1 11 PHE 3.603 0.327 4 0 "[ . 1]"
1 12 GLU 2.710 0.397 6 0 "[ . 1]"
1 13 ALA 1.139 0.149 9 0 "[ . 1]"
1 14 GLU 0.703 0.167 10 0 "[ . 1]"
1 15 VAL 0.139 0.079 10 0 "[ . 1]"
1 31 GLN 0.703 0.167 10 0 "[ . 1]"
1 33 ARG 2.710 0.397 6 0 "[ . 1]"
1 50 MET 1.639 0.143 10 0 "[ . 1]"
1 52 LEU 3.102 0.252 1 0 "[ . 1]"
1 61 ARG 3.102 0.252 1 0 "[ . 1]"
1 63 TYR 1.639 0.143 10 0 "[ . 1]"
1 87 PHE 0.115 0.034 1 0 "[ . 1]"
1 88 SER 0.887 0.130 1 0 "[ . 1]"
1 89 ASP 0.248 0.085 7 0 "[ . 1]"
1 90 TYR 0.678 0.194 9 0 "[ . 1]"
1 91 LEU 0.402 0.112 7 0 "[ . 1]"
1 92 ARG 0.887 0.130 1 0 "[ . 1]"
1 93 ASN 0.248 0.085 7 0 "[ . 1]"
1 94 ASP 0.678 0.194 9 0 "[ . 1]"
1 95 ALA 0.287 0.112 7 0 "[ . 1]"
1 99 GLN 0.139 0.079 10 0 "[ . 1]"
1 101 LEU 1.139 0.149 9 0 "[ . 1]"
1 103 VAL 3.603 0.327 4 0 "[ . 1]"
1 105 GLY 0.131 0.074 9 0 "[ . 1]"
1 127 THR 1.865 0.283 8 0 "[ . 1]"
1 130 ALA 1.865 0.283 8 0 "[ . 1]"
1 132 VAL 0.000 0.000 . 0 "[ . 1]"
1 133 VAL 0.887 0.187 5 0 "[ . 1]"
1 134 SER 0.792 0.167 4 0 "[ . 1]"
1 135 MET 1.312 0.179 4 0 "[ . 1]"
1 136 VAL 0.438 0.084 4 0 "[ . 1]"
1 137 ARG 1.431 0.187 5 0 "[ . 1]"
1 138 GLN 1.193 0.167 4 0 "[ . 1]"
1 139 MET 2.464 0.179 4 0 "[ . 1]"
1 140 GLN 0.438 0.084 4 0 "[ . 1]"
1 141 GLU 0.545 0.119 6 0 "[ . 1]"
1 142 TRP 0.401 0.119 9 0 "[ . 1]"
1 143 THR 1.152 0.158 9 0 "[ . 1]"
1 162 TYR 0.344 0.107 2 0 "[ . 1]"
1 163 ILE 0.000 0.000 . 0 "[ . 1]"
1 164 ASP 0.551 0.108 3 0 "[ . 1]"
1 165 GLU 0.274 0.149 1 0 "[ . 1]"
1 166 LEU 0.405 0.107 2 0 "[ . 1]"
1 167 LYS 0.051 0.041 7 0 "[ . 1]"
1 168 SER 3.313 0.279 1 0 "[ . 1]"
1 169 LEU 0.983 0.208 7 0 "[ . 1]"
1 170 GLU 0.061 0.061 8 0 "[ . 1]"
1 171 ARG 0.051 0.041 7 0 "[ . 1]"
1 172 SER 2.762 0.279 1 0 "[ . 1]"
1 173 MET 0.708 0.208 7 0 "[ . 1]"
1 198 ASP 0.460 0.100 7 0 "[ . 1]"
1 199 ALA 0.063 0.063 7 0 "[ . 1]"
1 200 LEU 0.127 0.054 8 0 "[ . 1]"
1 201 ARG 0.453 0.059 7 0 "[ . 1]"
1 202 GLU 1.469 0.157 6 0 "[ . 1]"
1 203 ASP 0.528 0.121 9 0 "[ . 1]"
1 204 LEU 0.127 0.054 8 0 "[ . 1]"
1 205 GLU 0.453 0.059 7 0 "[ . 1]"
1 206 SER 1.010 0.157 6 0 "[ . 1]"
1 207 SER 0.465 0.121 9 0 "[ . 1]"
1 219 PRO 0.257 0.120 9 0 "[ . 1]"
1 220 GLY 2.235 0.152 7 0 "[ . 1]"
1 221 MET 0.439 0.181 4 0 "[ . 1]"
1 222 ILE 0.521 0.135 9 0 "[ . 1]"
1 223 ASP 0.467 0.120 9 0 "[ . 1]"
1 224 ALA 2.371 0.152 7 0 "[ . 1]"
1 225 ALA 0.905 0.181 4 0 "[ . 1]"
1 226 CYS 0.644 0.135 9 0 "[ . 1]"
1 227 GLU 0.656 0.089 9 0 "[ . 1]"
1 228 LEU 0.863 0.185 3 0 "[ . 1]"
1 229 VAL 0.750 0.138 2 0 "[ . 1]"
1 230 ARG 0.123 0.107 5 0 "[ . 1]"
1 231 SER 0.445 0.089 9 0 "[ . 1]"
1 232 ARG 0.727 0.185 3 0 "[ . 1]"
1 233 GLY 0.285 0.057 2 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 1 127 THR O 1 130 ALA H 2.100 . 2.400 2.572 2.470 2.683 0.283 8 0 "[ . 1]" 6
2 1 127 THR O 1 130 ALA N 3.100 2.800 3.400 3.360 3.252 3.469 0.069 8 0 "[ . 1]" 6
3 1 87 PHE O 1 91 LEU H 2.100 . 2.400 2.181 1.969 2.412 0.012 6 0 "[ . 1]" 6
4 1 87 PHE O 1 91 LEU N 3.100 2.800 3.400 2.973 2.766 3.374 0.034 1 0 "[ . 1]" 6
5 1 88 SER O 1 92 ARG H 2.100 . 2.400 2.477 2.438 2.530 0.130 1 0 "[ . 1]" 6
6 1 88 SER O 1 92 ARG N 3.100 2.800 3.400 3.380 3.253 3.444 0.044 3 0 "[ . 1]" 6
7 1 89 ASP O 1 93 ASN H 2.100 . 2.400 2.052 1.934 2.250 . 0 0 "[ . 1]" 6
8 1 89 ASP O 1 93 ASN N 3.100 2.800 3.400 2.806 2.715 2.963 0.085 7 0 "[ . 1]" 6
9 1 90 TYR O 1 94 ASP H 2.100 . 2.400 2.199 2.043 2.382 . 0 0 "[ . 1]" 6
10 1 90 TYR O 1 94 ASP N 3.100 2.800 3.400 2.750 2.606 2.900 0.194 9 0 "[ . 1]" 6
11 1 91 LEU O 1 95 ALA H 2.100 . 2.400 2.327 2.064 2.451 0.051 8 0 "[ . 1]" 6
12 1 91 LEU O 1 95 ALA N 3.100 2.800 3.400 2.856 2.688 3.020 0.112 7 0 "[ . 1]" 6
13 1 132 VAL O 1 136 VAL H 2.100 . 2.400 2.023 1.930 2.111 . 0 0 "[ . 1]" 6
14 1 132 VAL O 1 136 VAL N 3.100 2.800 3.400 2.945 2.807 3.058 . 0 0 "[ . 1]" 6
15 1 133 VAL O 1 137 ARG H 2.100 . 2.400 1.939 1.859 2.157 . 0 0 "[ . 1]" 6
16 1 133 VAL O 1 137 ARG N 3.100 2.800 3.400 2.748 2.613 3.126 0.187 5 0 "[ . 1]" 6
17 1 134 SER O 1 138 GLN H 2.100 . 2.400 2.426 2.001 2.567 0.167 4 0 "[ . 1]" 6
18 1 134 SER O 1 138 GLN N 3.100 2.800 3.400 3.236 2.855 3.350 . 0 0 "[ . 1]" 6
19 1 135 MET O 1 139 MET H 2.100 . 2.400 2.472 2.222 2.579 0.179 4 0 "[ . 1]" 6
20 1 135 MET O 1 139 MET N 3.100 2.800 3.400 3.369 3.064 3.492 0.092 4 0 "[ . 1]" 6
21 1 136 VAL O 1 140 GLN H 2.100 . 2.400 2.120 1.803 2.464 0.064 9 0 "[ . 1]" 6
22 1 136 VAL O 1 140 GLN N 3.100 2.800 3.400 3.026 2.716 3.423 0.084 4 0 "[ . 1]" 6
23 1 137 ARG O 1 141 GLU H 2.100 . 2.400 1.941 1.893 2.063 . 0 0 "[ . 1]" 6
24 1 137 ARG O 1 141 GLU N 3.100 2.800 3.400 2.771 2.681 2.941 0.119 6 0 "[ . 1]" 6
25 1 138 GLN O 1 142 TRP H 2.100 . 2.400 2.309 1.986 2.453 0.053 4 0 "[ . 1]" 6
26 1 138 GLN O 1 142 TRP N 3.100 2.800 3.400 3.136 2.681 3.415 0.119 9 0 "[ . 1]" 6
27 1 139 MET O 1 143 THR H 2.100 . 2.400 2.515 2.446 2.558 0.158 9 0 "[ . 1]" 6
28 1 139 MET O 1 143 THR N 3.100 2.800 3.400 3.194 2.999 3.297 . 0 0 "[ . 1]" 6
29 1 162 TYR O 1 166 LEU H 2.100 . 2.400 2.140 1.894 2.469 0.069 10 0 "[ . 1]" 6
30 1 162 TYR O 1 166 LEU N 3.100 2.800 3.400 3.031 2.693 3.420 0.107 2 0 "[ . 1]" 6
31 1 163 ILE O 1 167 LYS H 2.100 . 2.400 2.158 1.930 2.398 . 0 0 "[ . 1]" 6
32 1 163 ILE O 1 167 LYS N 3.100 2.800 3.400 2.978 2.801 3.164 . 0 0 "[ . 1]" 6
33 1 164 ASP O 1 168 SER H 2.100 . 2.400 2.344 1.910 2.508 0.108 3 0 "[ . 1]" 6
34 1 164 ASP O 1 168 SER N 3.100 2.800 3.400 3.189 2.779 3.432 0.032 2 0 "[ . 1]" 6
35 1 165 GLU O 1 169 LEU H 2.100 . 2.400 2.268 1.967 2.549 0.149 1 0 "[ . 1]" 6
36 1 165 GLU O 1 169 LEU N 3.100 2.800 3.400 3.089 2.800 3.361 . 0 0 "[ . 1]" 6
37 1 166 LEU O 1 170 GLU H 2.100 . 2.400 2.128 1.938 2.356 . 0 0 "[ . 1]" 6
38 1 166 LEU O 1 170 GLU N 3.100 2.800 3.400 2.988 2.739 3.289 0.061 8 0 "[ . 1]" 6
39 1 167 LYS O 1 171 ARG H 2.100 . 2.400 2.137 1.917 2.296 . 0 0 "[ . 1]" 6
40 1 167 LYS O 1 171 ARG N 3.100 2.800 3.400 2.996 2.759 3.175 0.041 7 0 "[ . 1]" 6
41 1 168 SER O 1 172 SER H 2.300 . 2.600 1.721 1.683 1.776 0.117 9 0 "[ . 1]" 6
42 1 168 SER O 1 172 SER N 3.100 2.800 3.400 2.603 2.521 2.690 0.279 1 0 "[ . 1]" 6
43 1 169 LEU O 1 173 MET H 2.100 . 2.400 2.354 1.874 2.516 0.116 1 0 "[ . 1]" 6
44 1 169 LEU O 1 173 MET N 3.100 2.800 3.400 3.027 2.592 3.441 0.208 7 0 "[ . 1]" 6
45 1 198 ASP O 1 202 GLU H 2.100 . 2.400 2.429 2.328 2.500 0.100 7 0 "[ . 1]" 6
46 1 198 ASP O 1 202 GLU N 3.100 2.800 3.400 3.368 3.285 3.445 0.045 7 0 "[ . 1]" 6
47 1 199 ALA O 1 203 ASP H 2.100 . 2.400 2.189 1.890 2.393 . 0 0 "[ . 1]" 6
48 1 199 ALA O 1 203 ASP N 3.100 2.800 3.400 3.072 2.737 3.267 0.063 7 0 "[ . 1]" 6
49 1 200 LEU O 1 204 LEU H 2.100 . 2.400 2.179 2.008 2.454 0.054 8 0 "[ . 1]" 6
50 1 200 LEU O 1 204 LEU N 3.100 2.800 3.400 3.036 2.757 3.379 0.043 5 0 "[ . 1]" 6
51 1 201 ARG O 1 205 GLU H 2.100 . 2.400 2.436 2.398 2.459 0.059 7 0 "[ . 1]" 6
52 1 201 ARG O 1 205 GLU N 3.100 2.800 3.400 3.372 3.250 3.428 0.028 6 0 "[ . 1]" 6
53 1 202 GLU O 1 206 SER H 2.100 . 2.400 2.009 1.953 2.090 . 0 0 "[ . 1]" 6
54 1 202 GLU O 1 206 SER N 3.100 2.800 3.400 2.699 2.643 2.787 0.157 6 0 "[ . 1]" 6
55 1 203 ASP O 1 207 SER H 2.100 . 2.400 2.233 2.029 2.476 0.076 8 0 "[ . 1]" 6
56 1 203 ASP O 1 207 SER N 3.100 2.800 3.400 2.848 2.679 3.219 0.121 9 0 "[ . 1]" 6
57 1 219 PRO O 1 223 ASP H 2.100 . 2.400 2.123 1.920 2.520 0.120 9 0 "[ . 1]" 6
58 1 219 PRO O 1 223 ASP N 3.100 2.800 3.400 2.910 2.744 3.378 0.056 10 0 "[ . 1]" 6
59 1 220 GLY O 1 224 ALA H 2.100 . 2.400 1.705 1.695 1.731 0.105 10 0 "[ . 1]" 6
60 1 220 GLY O 1 224 ALA N 3.100 2.800 3.400 2.671 2.648 2.696 0.152 7 0 "[ . 1]" 6
61 1 221 MET O 1 225 ALA H 2.100 . 2.400 2.210 1.807 2.459 0.059 10 0 "[ . 1]" 6
62 1 221 MET O 1 225 ALA N 3.100 2.800 3.400 3.002 2.619 3.400 0.181 4 0 "[ . 1]" 6
63 1 222 ILE O 1 226 CYS H 2.100 . 2.400 2.340 1.949 2.535 0.135 9 0 "[ . 1]" 6
64 1 222 ILE O 1 226 CYS N 3.100 2.800 3.400 3.137 2.772 3.321 0.028 3 0 "[ . 1]" 6
65 1 223 ASP O 1 227 GLU H 2.100 . 2.400 2.314 2.034 2.475 0.075 7 0 "[ . 1]" 6
66 1 223 ASP O 1 227 GLU N 3.100 2.800 3.400 3.102 2.843 3.315 . 0 0 "[ . 1]" 6
67 1 224 ALA O 1 228 LEU H 2.100 . 2.400 2.127 1.880 2.496 0.096 10 0 "[ . 1]" 6
68 1 224 ALA O 1 228 LEU N 3.100 2.800 3.400 3.043 2.806 3.409 0.009 10 0 "[ . 1]" 6
69 1 225 ALA O 1 229 VAL H 2.100 . 2.400 2.381 1.910 2.538 0.138 2 0 "[ . 1]" 6
70 1 225 ALA O 1 229 VAL N 3.100 2.800 3.400 3.294 2.877 3.425 0.025 2 0 "[ . 1]" 6
71 1 226 CYS O 1 230 ARG H 2.100 . 2.400 2.179 1.784 2.339 0.016 5 0 "[ . 1]" 6
72 1 226 CYS O 1 230 ARG N 3.100 2.800 3.400 3.106 2.693 3.265 0.107 5 0 "[ . 1]" 6
73 1 227 GLU O 1 231 SER H 2.100 . 2.400 1.929 1.844 2.141 . 0 0 "[ . 1]" 6
74 1 227 GLU O 1 231 SER N 3.100 2.800 3.400 2.771 2.711 2.908 0.089 9 0 "[ . 1]" 6
75 1 228 LEU O 1 232 ARG H 2.100 . 2.400 1.861 1.772 2.076 0.028 3 0 "[ . 1]" 6
76 1 228 LEU O 1 232 ARG N 3.100 2.800 3.400 2.754 2.615 3.007 0.185 3 0 "[ . 1]" 6
77 1 229 VAL O 1 233 GLY H 2.100 . 2.400 2.404 2.185 2.457 0.057 2 0 "[ . 1]" 6
78 1 229 VAL O 1 233 GLY N 3.100 2.800 3.400 3.175 2.981 3.397 . 0 0 "[ . 1]" 6
79 1 9 GLY O 1 105 GLY H 2.250 . 2.600 2.490 2.138 2.674 0.074 9 0 "[ . 1]" 6
80 1 9 GLY O 1 105 GLY N 3.100 2.800 3.400 3.241 3.001 3.382 . 0 0 "[ . 1]" 6
81 1 11 PHE H 1 103 VAL O 2.100 . 2.400 1.699 1.616 1.782 0.184 7 0 "[ . 1]" 6
82 1 11 PHE N 1 103 VAL O 3.100 2.800 3.400 2.594 2.473 2.721 0.327 4 0 "[ . 1]" 6
83 1 11 PHE O 1 103 VAL H 2.100 . 2.400 2.006 1.806 2.163 . 0 0 "[ . 1]" 6
84 1 11 PHE O 1 103 VAL N 3.100 2.800 3.400 2.778 2.677 3.036 0.123 6 0 "[ . 1]" 6
85 1 13 ALA H 1 101 LEU O 2.100 . 2.400 1.982 1.827 2.235 . 0 0 "[ . 1]" 6
86 1 13 ALA N 1 101 LEU O 3.100 2.800 3.400 2.852 2.718 3.186 0.082 1 0 "[ . 1]" 6
87 1 13 ALA O 1 101 LEU H 2.100 . 2.400 1.796 1.747 1.845 0.053 9 0 "[ . 1]" 6
88 1 13 ALA O 1 101 LEU N 3.100 2.800 3.400 2.733 2.651 2.806 0.149 9 0 "[ . 1]" 6
89 1 15 VAL H 1 99 GLN O 2.100 . 2.400 2.180 1.786 2.379 0.014 10 0 "[ . 1]" 6
90 1 15 VAL N 1 99 GLN O 3.100 2.800 3.400 3.048 2.721 3.284 0.079 10 0 "[ . 1]" 6
91 1 50 MET O 1 63 TYR H 2.100 . 2.400 2.360 2.025 2.543 0.143 10 0 "[ . 1]" 6
92 1 50 MET O 1 63 TYR N 3.100 2.800 3.400 3.014 2.673 3.378 0.127 3 0 "[ . 1]" 6
93 1 50 MET H 1 63 TYR O 2.100 . 2.400 2.481 2.434 2.538 0.138 7 0 "[ . 1]" 6
94 1 50 MET N 1 63 TYR O 3.100 2.800 3.400 3.426 3.353 3.478 0.078 1 0 "[ . 1]" 6
95 1 52 LEU O 1 61 ARG H 2.100 . 2.400 2.575 2.484 2.652 0.252 1 0 "[ . 1]" 6
96 1 52 LEU O 1 61 ARG N 3.100 2.800 3.400 3.521 3.446 3.599 0.199 1 0 "[ . 1]" 6
97 1 52 LEU H 1 61 ARG O 2.220 . 2.640 2.426 2.181 2.606 . 0 0 "[ . 1]" 6
98 1 52 LEU N 1 61 ARG O 3.100 2.800 3.400 3.274 3.047 3.479 0.079 3 0 "[ . 1]" 6
99 1 12 GLU O 1 33 ARG H 2.100 . 2.400 2.623 2.444 2.797 0.397 6 0 "[ . 1]" 6
100 1 12 GLU O 1 33 ARG N 3.100 2.800 3.400 3.146 2.692 3.551 0.151 3 0 "[ . 1]" 6
101 1 14 GLU H 1 31 GLN O 2.100 . 2.400 2.186 1.732 2.567 0.167 10 0 "[ . 1]" 6
102 1 14 GLU N 1 31 GLN O 3.100 2.800 3.400 3.008 2.701 3.392 0.099 5 0 "[ . 1]" 6
103 1 14 GLU O 1 31 GLN H 2.100 . 2.400 2.191 1.952 2.388 . 0 0 "[ . 1]" 6
104 1 14 GLU O 1 31 GLN N 3.100 2.800 3.400 3.136 2.920 3.336 . 0 0 "[ . 1]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 67
_Distance_constraint_stats_list.Viol_count 340
_Distance_constraint_stats_list.Viol_total 334.023
_Distance_constraint_stats_list.Viol_max 0.677
_Distance_constraint_stats_list.Viol_rms 0.0757
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0499
_Distance_constraint_stats_list.Viol_average_violations_only 0.0982
_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 19 ASN 0.353 0.095 4 0 "[ . 1]"
1 22 SER 1.471 0.199 2 0 "[ . 1]"
1 25 THR 1.471 0.199 2 0 "[ . 1]"
1 26 VAL 1.034 0.307 4 0 "[ . 1]"
1 27 GLN 0.353 0.095 4 0 "[ . 1]"
1 28 PHE 0.591 0.226 2 0 "[ . 1]"
1 30 LEU 0.978 0.224 10 0 "[ . 1]"
1 40 ARG 1.284 0.314 6 0 "[ . 1]"
1 42 VAL 2.094 0.677 6 1 "[ .+ 1]"
1 66 ALA 2.484 0.382 3 0 "[ . 1]"
1 70 ASN 2.094 0.677 6 1 "[ .+ 1]"
1 72 GLU 1.284 0.314 6 0 "[ . 1]"
1 75 LEU 0.978 0.224 10 0 "[ . 1]"
1 76 GLU 2.484 0.382 3 0 "[ . 1]"
1 77 PHE 0.591 0.226 2 0 "[ . 1]"
1 79 ILE 1.034 0.307 4 0 "[ . 1]"
1 87 PHE 0.812 0.143 4 0 "[ . 1]"
1 120 ARG 3.657 0.250 1 0 "[ . 1]"
1 121 TYR 2.898 0.242 7 0 "[ . 1]"
1 122 PHE 1.029 0.195 4 0 "[ . 1]"
1 123 VAL 1.865 0.176 2 0 "[ . 1]"
1 124 ALA 0.960 0.203 7 0 "[ . 1]"
1 125 GLY 0.545 0.128 3 0 "[ . 1]"
1 147 GLU 2.984 0.250 1 0 "[ . 1]"
1 148 THR 1.836 0.182 1 0 "[ . 1]"
1 149 ARG 0.838 0.144 1 0 "[ . 1]"
1 150 ILE 0.437 0.151 5 0 "[ . 1]"
1 151 TYR 1.490 0.203 7 0 "[ . 1]"
1 152 PHE 3.463 0.211 8 0 "[ . 1]"
1 153 GLY 0.334 0.170 6 0 "[ . 1]"
1 175 ASN 1.062 0.172 10 0 "[ . 1]"
1 177 THR 1.003 0.182 1 0 "[ . 1]"
1 179 LYS 2.132 0.196 9 0 "[ . 1]"
1 181 CYS 1.538 0.211 8 0 "[ . 1]"
1 212 ASP 2.637 0.242 7 0 "[ . 1]"
1 213 ILE 2.763 0.246 8 0 "[ . 1]"
1 214 TYR 1.581 0.176 2 0 "[ . 1]"
1 215 LEU 2.848 0.293 6 0 "[ . 1]"
1 216 CYS 1.091 0.128 3 0 "[ . 1]"
1 238 GLN 1.648 0.246 8 0 "[ . 1]"
1 240 PHE 2.237 0.293 6 0 "[ . 1]"
1 242 GLU 1.727 0.278 2 0 "[ . 1]"
2 1 FDA 0.812 0.143 4 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 26 VAL N 1 79 ILE O 3.100 2.800 3.400 3.171 3.042 3.343 . 0 0 "[ . 1]" 7
2 1 26 VAL O 1 79 ILE H 2.100 . 2.400 2.480 2.230 2.707 0.307 4 0 "[ . 1]" 7
3 1 26 VAL O 1 79 ILE N 3.100 2.800 3.400 3.168 3.005 3.273 . 0 0 "[ . 1]" 7
4 1 28 PHE H 1 77 PHE O 2.100 . 2.400 2.197 1.882 2.626 0.226 2 0 "[ . 1]" 7
5 1 28 PHE N 1 77 PHE O 3.100 2.800 3.400 3.087 2.762 3.499 0.099 2 0 "[ . 1]" 7
6 1 28 PHE O 1 77 PHE H 2.100 . 2.400 2.248 1.770 2.455 0.055 2 0 "[ . 1]" 7
7 1 28 PHE O 1 77 PHE N 3.100 2.800 3.400 3.129 2.719 3.404 0.081 10 0 "[ . 1]" 7
8 1 30 LEU H 1 75 LEU O 2.100 . 2.400 2.405 1.850 2.624 0.224 10 0 "[ . 1]" 7
9 1 30 LEU N 1 75 LEU O 3.100 2.800 3.400 3.309 2.792 3.494 0.094 10 0 "[ . 1]" 7
10 1 19 ASN H 1 27 GLN O 2.100 . 2.400 2.342 1.900 2.495 0.095 4 0 "[ . 1]" 7
11 1 19 ASN N 1 27 GLN O 3.100 2.800 3.400 3.226 2.788 3.446 0.046 4 0 "[ . 1]" 7
12 1 19 ASN O 1 27 GLN H 2.100 . 2.400 2.016 1.843 2.219 . 0 0 "[ . 1]" 7
13 1 19 ASN O 1 27 GLN N 3.100 2.800 3.400 2.953 2.807 3.119 . 0 0 "[ . 1]" 7
14 1 22 SER O 1 25 THR H 2.100 . 2.400 2.500 2.466 2.599 0.199 2 0 "[ . 1]" 7
15 1 22 SER O 1 25 THR N 3.100 2.800 3.400 3.447 3.419 3.572 0.172 2 0 "[ . 1]" 7
16 1 40 ARG H 1 72 GLU O 2.350 . 2.900 2.911 2.562 3.214 0.314 6 0 "[ . 1]" 7
17 1 40 ARG N 1 72 GLU O 3.200 2.800 3.600 3.459 2.789 3.768 0.168 6 0 "[ . 1]" 7
18 1 42 VAL O 1 70 ASN H 2.100 . 2.400 2.281 1.571 3.077 0.677 6 1 "[ .+ 1]" 7
19 1 42 VAL O 1 70 ASN N 3.100 2.800 3.400 2.979 2.497 3.931 0.531 6 1 "[ .+ 1]" 7
20 1 213 ILE H 1 238 GLN O 2.100 . 2.400 2.562 2.494 2.646 0.246 8 0 "[ . 1]" 7
21 1 213 ILE N 1 238 GLN O 3.100 2.800 3.400 3.312 3.240 3.424 0.024 8 0 "[ . 1]" 7
22 1 213 ILE O 1 240 PHE H 2.100 . 2.400 1.867 1.732 2.417 0.068 1 0 "[ . 1]" 7
23 1 213 ILE O 1 240 PHE N 3.100 2.800 3.400 2.792 2.676 3.155 0.124 9 0 "[ . 1]" 7
24 1 215 LEU H 1 240 PHE O 2.100 . 2.400 2.499 2.343 2.693 0.293 6 0 "[ . 1]" 7
25 1 215 LEU N 1 240 PHE O 3.100 2.800 3.400 3.280 3.131 3.476 0.076 6 0 "[ . 1]" 7
26 1 215 LEU O 1 242 GLU H 2.100 . 2.400 1.838 1.744 2.002 0.056 6 0 "[ . 1]" 7
27 1 215 LEU O 1 242 GLU N 3.100 2.800 3.400 2.643 2.522 2.734 0.278 2 0 "[ . 1]" 7
28 1 121 TYR H 1 212 ASP O 2.100 . 2.400 2.574 2.535 2.642 0.242 7 0 "[ . 1]" 7
29 1 121 TYR N 1 212 ASP O 3.100 2.800 3.400 3.489 3.455 3.545 0.145 7 0 "[ . 1]" 7
30 1 121 TYR O 1 214 TYR H 2.100 . 2.400 1.885 1.788 2.054 0.012 8 0 "[ . 1]" 7
31 1 121 TYR O 1 214 TYR N 3.100 2.800 3.400 2.809 2.717 2.986 0.083 8 0 "[ . 1]" 7
32 1 123 VAL H 1 214 TYR O 2.100 . 2.400 1.822 1.652 2.101 0.148 2 0 "[ . 1]" 7
33 1 123 VAL N 1 214 TYR O 3.100 2.800 3.400 2.753 2.624 3.019 0.176 2 0 "[ . 1]" 7
34 1 123 VAL O 1 216 CYS H 2.100 . 2.400 1.826 1.748 1.975 0.052 1 0 "[ . 1]" 7
35 1 123 VAL O 1 216 CYS N 3.100 2.800 3.400 2.760 2.706 2.856 0.094 1 0 "[ . 1]" 7
36 1 125 GLY H 1 216 CYS O 2.100 . 2.400 2.071 1.748 2.465 0.065 2 0 "[ . 1]" 7
37 1 125 GLY N 1 216 CYS O 3.100 2.800 3.400 2.934 2.672 3.292 0.128 3 0 "[ . 1]" 7
38 1 120 ARG H 1 147 GLU O 2.100 . 2.400 2.615 2.559 2.650 0.250 1 0 "[ . 1]" 7
39 1 120 ARG N 1 147 GLU O 3.100 2.800 3.400 3.483 3.429 3.509 0.109 2 0 "[ . 1]" 7
40 1 120 ARG O 1 149 ARG H 2.100 . 2.400 1.869 1.770 1.996 0.030 3 0 "[ . 1]" 7
41 1 120 ARG O 1 149 ARG N 3.100 2.800 3.400 2.754 2.656 2.942 0.144 1 0 "[ . 1]" 7
42 1 122 PHE H 1 149 ARG O 2.100 . 2.400 2.082 1.767 2.440 0.040 5 0 "[ . 1]" 7
43 1 122 PHE N 1 149 ARG O 3.100 2.800 3.400 2.967 2.722 3.382 0.078 8 0 "[ . 1]" 7
44 1 122 PHE O 1 151 TYR H 2.100 . 2.400 1.856 1.708 2.094 0.092 2 0 "[ . 1]" 7
45 1 122 PHE O 1 151 TYR N 3.100 2.800 3.400 2.752 2.605 2.887 0.195 4 0 "[ . 1]" 7
46 1 124 ALA H 1 151 TYR O 2.100 . 2.400 2.013 1.763 2.500 0.100 8 0 "[ . 1]" 7
47 1 124 ALA N 1 151 TYR O 3.100 2.800 3.400 2.879 2.597 3.250 0.203 7 0 "[ . 1]" 7
48 1 124 ALA O 1 153 GLY H 2.100 . 2.400 2.395 2.237 2.570 0.170 6 0 "[ . 1]" 7
49 1 124 ALA O 1 153 GLY N 3.100 2.800 3.400 3.268 3.125 3.338 . 0 0 "[ . 1]" 7
50 1 148 THR H 1 175 ASN O 2.100 . 2.400 2.506 2.442 2.572 0.172 10 0 "[ . 1]" 7
51 1 148 THR N 1 175 ASN O 3.100 2.800 3.400 3.097 2.972 3.265 . 0 0 "[ . 1]" 7
52 1 148 THR O 1 177 THR H 2.100 . 2.400 2.448 2.184 2.582 0.182 1 0 "[ . 1]" 7
53 1 148 THR O 1 177 THR N 3.100 2.800 3.400 3.266 3.022 3.416 0.016 1 0 "[ . 1]" 7
54 1 150 ILE H 1 177 THR O 2.100 . 2.400 1.886 1.760 2.075 0.040 5 0 "[ . 1]" 7
55 1 150 ILE N 1 177 THR O 3.100 2.800 3.400 2.830 2.721 3.026 0.079 5 0 "[ . 1]" 7
56 1 150 ILE O 1 179 LYS H 2.100 . 2.400 2.053 1.906 2.326 . 0 0 "[ . 1]" 7
57 1 150 ILE O 1 179 LYS N 3.100 2.800 3.400 2.895 2.649 3.207 0.151 5 0 "[ . 1]" 7
58 1 152 PHE H 1 179 LYS O 2.100 . 2.400 2.542 2.439 2.596 0.196 9 0 "[ . 1]" 7
59 1 152 PHE N 1 179 LYS O 3.100 2.800 3.400 3.435 3.293 3.529 0.129 5 0 "[ . 1]" 7
60 1 152 PHE O 1 181 CYS H 2.100 . 2.400 2.541 2.456 2.611 0.211 8 0 "[ . 1]" 7
61 1 152 PHE O 1 181 CYS N 3.100 2.800 3.400 3.365 3.272 3.477 0.077 8 0 "[ . 1]" 7
62 1 87 PHE H 2 1 FDA O1A 2.100 . 2.400 2.479 2.386 2.543 0.143 4 0 "[ . 1]" 7
63 1 87 PHE N 2 1 FDA O1A 3.100 2.800 3.400 3.229 2.908 3.410 0.010 4 0 "[ . 1]" 7
64 1 66 ALA H 1 76 GLU O 2.100 . 2.400 2.252 1.785 2.473 0.073 8 0 "[ . 1]" 7
65 1 66 ALA N 1 76 GLU O 3.100 2.800 3.400 3.097 2.570 3.447 0.230 4 0 "[ . 1]" 7
66 1 66 ALA O 1 76 GLU H 2.100 . 2.400 2.359 1.957 2.782 0.382 3 0 "[ . 1]" 7
67 1 66 ALA O 1 76 GLU N 3.100 2.800 3.400 3.170 2.740 3.596 0.196 6 0 "[ . 1]" 7
stop_
save_
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