NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590125 |
2mzz   |
25509 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzz
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 1418
_Distance_constraint_stats_list.Viol_count 1978
_Distance_constraint_stats_list.Viol_total 1544.791
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0781
_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 MET 0.000 0.000 . 0 "[ . 1]"
1 2 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 ASP 4.547 0.250 8 0 "[ . 1]"
1 5 THR 3.083 0.258 8 0 "[ . 1]"
1 6 PHE 2.171 0.258 8 0 "[ . 1]"
1 7 SER 0.000 0.000 . 0 "[ . 1]"
1 8 TYR 1.374 0.135 5 0 "[ . 1]"
1 9 ASN 2.805 0.187 8 0 "[ . 1]"
1 10 PHE 1.824 0.251 6 0 "[ . 1]"
1 11 ASN 1.926 0.251 6 0 "[ . 1]"
1 12 ASN 0.919 0.209 9 0 "[ . 1]"
1 13 ARG 1.234 0.284 2 0 "[ . 1]"
1 15 ILE 3.192 0.336 9 0 "[ . 1]"
1 16 LEU 0.000 0.000 . 0 "[ . 1]"
1 24 LEU 0.207 0.080 4 0 "[ . 1]"
1 25 CYS 0.489 0.083 7 0 "[ . 1]"
1 26 TYR 1.218 0.116 2 0 "[ . 1]"
1 27 GLU 0.037 0.028 4 0 "[ . 1]"
1 28 VAL 0.626 0.066 6 0 "[ . 1]"
1 29 LYS 2.234 0.206 10 0 "[ . 1]"
1 30 THR 0.964 0.191 10 0 "[ . 1]"
1 31 LYS 2.986 0.213 4 0 "[ . 1]"
1 32 GLY 1.045 0.178 4 0 "[ . 1]"
1 34 SER 0.238 0.154 7 0 "[ . 1]"
1 35 ARG 0.327 0.154 7 0 "[ . 1]"
1 38 LEU 0.390 0.057 3 0 "[ . 1]"
1 39 ASP 0.278 0.057 3 0 "[ . 1]"
1 40 ALA 0.042 0.025 2 0 "[ . 1]"
1 41 LYS 0.015 0.015 1 0 "[ . 1]"
1 42 ILE 0.015 0.015 1 0 "[ . 1]"
1 43 PHE 0.066 0.031 10 0 "[ . 1]"
1 44 ARG 0.885 0.183 10 0 "[ . 1]"
1 45 GLY 0.618 0.183 10 0 "[ . 1]"
1 46 GLN 0.459 0.094 2 0 "[ . 1]"
1 47 VAL 0.064 0.064 2 0 "[ . 1]"
1 50 GLU 0.108 0.049 5 0 "[ . 1]"
1 51 ASP 0.108 0.049 5 0 "[ . 1]"
1 52 LYS 0.128 0.070 8 0 "[ . 1]"
1 53 TYR 1.120 0.168 1 0 "[ . 1]"
1 54 HIS 0.009 0.009 4 0 "[ . 1]"
1 56 GLU 0.000 0.000 . 0 "[ . 1]"
1 57 MET 3.623 0.244 8 0 "[ . 1]"
1 58 ARG 2.510 0.192 5 0 "[ . 1]"
1 59 PHE 1.800 0.172 8 0 "[ . 1]"
1 60 LEU 3.816 0.175 8 0 "[ . 1]"
1 61 SER 5.423 0.293 4 0 "[ . 1]"
1 62 LEU 3.107 0.490 9 0 "[ . 1]"
1 63 VAL 2.083 0.428 9 0 "[ . 1]"
1 64 SER 3.213 0.293 4 0 "[ . 1]"
1 65 LYS 2.479 0.226 5 0 "[ . 1]"
1 66 TRP 0.032 0.032 9 0 "[ . 1]"
1 70 ARG 0.000 0.000 . 0 "[ . 1]"
1 71 ASP 0.261 0.054 2 0 "[ . 1]"
1 72 GLN 0.070 0.042 10 0 "[ . 1]"
1 73 GLU 0.475 0.138 7 0 "[ . 1]"
1 74 TYR 0.168 0.049 4 0 "[ . 1]"
1 75 GLU 1.518 0.129 10 0 "[ . 1]"
1 76 VAL 0.804 0.089 5 0 "[ . 1]"
1 77 THR 0.681 0.109 4 0 "[ . 1]"
1 78 TRP 2.854 0.396 4 0 "[ . 1]"
1 79 TYR 2.467 0.212 9 0 "[ . 1]"
1 80 ILE 0.588 0.212 9 0 "[ . 1]"
1 86 THR 0.554 0.088 1 0 "[ . 1]"
1 87 LYS 2.566 0.177 2 0 "[ . 1]"
1 88 CYS 3.490 0.440 7 0 "[ . 1]"
1 89 ALA 1.509 0.401 8 0 "[ . 1]"
1 90 ARG 4.213 0.177 2 0 "[ . 1]"
1 91 ASP 2.069 0.147 3 0 "[ . 1]"
1 92 MET 6.118 0.455 4 0 "[ . 1]"
1 93 ALA 2.171 0.147 2 0 "[ . 1]"
1 94 THR 0.291 0.078 6 0 "[ . 1]"
1 95 PHE 5.607 0.408 8 0 "[ . 1]"
1 96 LEU 2.010 0.137 2 0 "[ . 1]"
1 97 GLN 0.807 0.078 6 0 "[ . 1]"
1 98 GLU 1.155 0.083 2 0 "[ . 1]"
1 99 ASN 1.651 0.137 2 0 "[ . 1]"
1 100 THR 1.421 0.299 10 0 "[ . 1]"
1 102 VAL 1.287 0.299 10 0 "[ . 1]"
1 103 THR 1.338 0.107 3 0 "[ . 1]"
1 104 LEU 4.012 0.352 10 0 "[ . 1]"
1 105 THR 1.151 0.089 5 0 "[ . 1]"
1 106 ILE 1.073 0.113 6 0 "[ . 1]"
1 107 PHE 1.731 0.183 6 0 "[ . 1]"
1 108 VAL 0.012 0.012 6 0 "[ . 1]"
1 109 ALA 0.000 0.000 . 0 "[ . 1]"
1 110 ARG 0.207 0.134 1 0 "[ . 1]"
1 111 LEU 0.000 0.000 . 0 "[ . 1]"
1 118 ASP 0.626 0.095 8 0 "[ . 1]"
1 119 TYR 2.278 0.241 7 0 "[ . 1]"
1 120 GLN 1.580 0.241 7 0 "[ . 1]"
1 121 GLU 1.988 0.186 7 0 "[ . 1]"
1 122 ALA 2.066 0.200 7 0 "[ . 1]"
1 123 LEU 1.139 0.160 6 0 "[ . 1]"
1 124 ARG 2.143 0.451 10 0 "[ . 1]"
1 125 SER 3.611 0.451 10 0 "[ . 1]"
1 126 LEU 2.904 0.160 6 0 "[ . 1]"
1 127 ALA 1.159 0.125 6 0 "[ . 1]"
1 128 GLN 2.002 0.125 6 0 "[ . 1]"
1 129 ALA 1.097 0.091 1 0 "[ . 1]"
1 130 GLY 0.337 0.091 1 0 "[ . 1]"
1 131 ALA 0.015 0.003 1 0 "[ . 1]"
1 132 THR 1.807 0.113 6 0 "[ . 1]"
1 133 ILE 0.387 0.070 5 0 "[ . 1]"
1 134 LYS 1.708 0.138 5 0 "[ . 1]"
1 135 ILE 0.875 0.152 5 0 "[ . 1]"
1 136 MET 1.953 0.183 6 0 "[ . 1]"
1 137 ASN 5.467 0.327 3 0 "[ . 1]"
1 138 TYR 1.689 0.245 3 0 "[ . 1]"
1 139 ASP 1.685 0.145 3 0 "[ . 1]"
1 140 GLU 8.909 0.327 3 0 "[ . 1]"
1 141 PHE 3.730 0.245 3 0 "[ . 1]"
1 142 GLN 0.435 0.145 3 0 "[ . 1]"
1 143 HIS 2.030 0.140 2 0 "[ . 1]"
1 144 CYS 2.990 0.205 2 0 "[ . 1]"
1 145 TRP 6.058 0.276 2 0 "[ . 1]"
1 146 SER 1.267 0.122 9 0 "[ . 1]"
1 147 LYS 4.273 0.178 2 0 "[ . 1]"
1 148 PHE 1.107 0.083 7 0 "[ . 1]"
1 149 VAL 0.928 0.186 8 0 "[ . 1]"
1 150 TYR 0.553 0.093 1 0 "[ . 1]"
1 151 SER 2.072 0.246 2 0 "[ . 1]"
1 152 GLN 0.030 0.012 3 0 "[ . 1]"
1 153 GLY 0.826 0.108 8 0 "[ . 1]"
1 154 ALA 1.506 0.113 2 0 "[ . 1]"
1 156 PHE 1.484 0.202 7 0 "[ . 1]"
1 157 GLN 1.296 0.181 9 0 "[ . 1]"
1 159 TRP 5.238 0.245 8 0 "[ . 1]"
1 160 ASP 1.160 0.143 7 0 "[ . 1]"
1 161 GLY 0.027 0.024 1 0 "[ . 1]"
1 162 LEU 5.892 0.346 6 0 "[ . 1]"
1 163 ASP 2.264 0.217 7 0 "[ . 1]"
1 164 GLU 1.139 0.076 7 0 "[ . 1]"
1 165 HIS 5.338 0.346 6 0 "[ . 1]"
1 166 SER 3.402 0.217 7 0 "[ . 1]"
1 167 GLN 1.286 0.133 7 0 "[ . 1]"
1 168 ALA 3.608 0.205 3 0 "[ . 1]"
1 169 LEU 4.255 0.299 6 0 "[ . 1]"
1 170 SER 3.641 0.162 8 0 "[ . 1]"
1 171 GLY 2.105 0.151 10 0 "[ . 1]"
1 172 ARG 1.684 0.135 7 0 "[ . 1]"
1 173 LEU 9.122 0.231 7 0 "[ . 1]"
1 174 GLY 3.947 0.199 6 0 "[ . 1]"
1 175 GLU 2.778 0.236 7 0 "[ . 1]"
1 176 ILE 1.470 0.079 3 0 "[ . 1]"
1 177 LEU 3.214 0.136 1 0 "[ . 1]"
1 178 ARG 4.161 0.271 6 0 "[ . 1]"
1 179 HIS 1.168 0.139 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ASP H 2.400 . 3.000 2.483 2.228 2.991 . 0 0 "[ . 1]" 1
2 1 1 MET QB 1 2 ASP H 3.050 . 4.300 3.423 2.469 3.858 . 0 0 "[ . 1]" 1
3 1 4 ASP H 1 4 ASP HA 2.400 . 3.000 2.983 2.961 2.992 . 0 0 "[ . 1]" 1
4 1 4 ASP H 1 4 ASP HB3 2.150 . 2.500 2.679 2.658 2.750 0.250 8 0 "[ . 1]" 1
5 1 4 ASP H 1 4 ASP HB2 2.150 . 2.500 2.411 2.217 2.513 0.013 6 0 "[ . 1]" 1
6 1 4 ASP H 1 5 THR H 2.150 . 2.500 2.512 2.427 2.544 0.044 7 0 "[ . 1]" 1
7 1 4 ASP H 1 149 VAL MG1 3.400 . 5.000 3.693 3.230 4.307 . 0 0 "[ . 1]" 1
8 1 4 ASP HA 1 5 THR H 2.650 . 3.500 3.554 3.548 3.571 0.071 8 0 "[ . 1]" 1
9 1 4 ASP HB3 1 5 THR H 2.400 . 3.000 1.840 1.784 2.004 0.016 7 0 "[ . 1]" 1
10 1 4 ASP HB2 1 5 THR H 2.400 . 3.000 3.195 3.120 3.229 0.229 6 0 "[ . 1]" 1
11 1 5 THR HA 1 5 THR HB 2.650 . 3.500 2.944 2.465 3.040 . 0 0 "[ . 1]" 1
12 1 5 THR H 1 5 THR HA 2.400 . 3.000 2.923 2.800 2.944 . 0 0 "[ . 1]" 1
13 1 5 THR H 1 5 THR HB 2.650 . 3.500 2.740 2.384 3.555 0.055 8 0 "[ . 1]" 1
14 1 5 THR H 1 5 THR MG 3.400 . 5.000 3.494 2.021 3.747 . 0 0 "[ . 1]" 1
15 1 5 THR HB 1 149 VAL MG2 4.150 . 6.500 4.773 4.332 5.455 . 0 0 "[ . 1]" 1
16 1 5 THR HB 1 6 PHE H 2.650 . 3.500 2.855 2.336 3.758 0.258 8 0 "[ . 1]" 1
17 1 6 PHE H 1 6 PHE HA 2.650 . 3.500 2.893 2.857 2.940 . 0 0 "[ . 1]" 1
18 1 6 PHE H 1 6 PHE HB3 2.400 . 3.000 2.312 2.032 3.011 0.011 8 0 "[ . 1]" 1
19 1 6 PHE H 1 6 PHE HB2 2.400 . 3.000 2.608 2.081 2.926 . 0 0 "[ . 1]" 1
20 1 6 PHE H 1 6 PHE QD 3.150 . 4.500 3.987 3.652 4.101 . 0 0 "[ . 1]" 1
21 1 6 PHE H 1 7 SER H 2.400 . 3.000 2.678 2.627 2.722 . 0 0 "[ . 1]" 1
22 1 6 PHE QD 1 10 PHE HB3 3.150 . 4.500 3.156 2.902 4.068 . 0 0 "[ . 1]" 1
23 1 6 PHE QD 1 10 PHE HB2 3.400 . 5.000 3.072 2.876 3.575 . 0 0 "[ . 1]" 1
24 1 6 PHE QD 1 141 PHE HB3 3.150 . 4.500 4.055 3.826 4.095 . 0 0 "[ . 1]" 1
25 1 6 PHE QD 1 144 CYS HB2 3.150 . 4.500 4.048 3.883 4.104 . 0 0 "[ . 1]" 1
26 1 6 PHE H 1 149 VAL MG1 4.150 . 6.500 4.569 2.871 5.072 . 0 0 "[ . 1]" 1
27 1 6 PHE HB3 1 149 VAL MG1 4.150 . 6.500 4.103 3.699 4.910 . 0 0 "[ . 1]" 1
28 1 6 PHE QD 1 149 VAL MG1 4.400 . 7.000 4.791 4.220 5.202 . 0 0 "[ . 1]" 1
29 1 6 PHE HA 1 149 VAL MG2 4.150 . 6.500 4.399 3.691 4.969 . 0 0 "[ . 1]" 1
30 1 6 PHE H 1 149 VAL MG2 3.400 . 5.000 3.291 2.428 3.719 . 0 0 "[ . 1]" 1
31 1 6 PHE HB3 1 149 VAL MG2 3.650 . 5.500 2.533 1.873 3.146 . 0 0 "[ . 1]" 1
32 1 6 PHE HB2 1 149 VAL MG2 3.650 . 5.500 2.512 1.848 3.255 . 0 0 "[ . 1]" 1
33 1 6 PHE QD 1 149 VAL MG2 3.900 . 6.000 3.296 2.497 3.956 . 0 0 "[ . 1]" 1
34 1 5 THR HA 1 8 TYR H 2.900 . 4.000 3.577 3.380 4.030 0.030 8 0 "[ . 1]" 1
35 1 5 THR HA 1 8 TYR QD 3.150 . 4.500 3.600 2.824 4.125 . 0 0 "[ . 1]" 1
36 1 5 THR MG 1 8 TYR QD 3.650 . 5.500 3.929 2.344 4.128 . 0 0 "[ . 1]" 1
37 1 7 SER H 1 8 TYR H 2.650 . 3.500 2.645 2.557 2.947 . 0 0 "[ . 1]" 1
38 1 8 TYR H 1 8 TYR HA 2.400 . 3.000 2.891 2.809 2.930 . 0 0 "[ . 1]" 1
39 1 8 TYR HA 1 8 TYR QD 2.900 . 4.000 2.805 2.371 3.054 . 0 0 "[ . 1]" 1
40 1 8 TYR HA 1 8 TYR HB3 2.650 . 3.500 2.952 2.425 3.028 . 0 0 "[ . 1]" 1
41 1 8 TYR H 1 8 TYR HB3 2.650 . 3.500 2.745 2.465 3.563 0.063 7 0 "[ . 1]" 1
42 1 8 TYR HB3 1 8 TYR QD 2.650 . 3.500 2.515 2.293 2.669 . 0 0 "[ . 1]" 1
43 1 8 TYR HA 1 8 TYR HB2 2.900 . 4.000 2.651 2.523 3.034 . 0 0 "[ . 1]" 1
44 1 8 TYR H 1 8 TYR HB2 2.650 . 3.500 2.245 1.939 2.509 . 0 0 "[ . 1]" 1
45 1 8 TYR HB2 1 8 TYR QD 2.900 . 4.000 2.378 2.291 2.607 . 0 0 "[ . 1]" 1
46 1 8 TYR H 1 8 TYR QD 3.400 . 5.000 3.880 2.451 4.129 . 0 0 "[ . 1]" 1
47 1 6 PHE HA 1 9 ASN H 2.650 . 3.500 3.631 3.528 3.687 0.187 8 0 "[ . 1]" 1
48 1 8 TYR HA 1 9 ASN H 2.650 . 3.500 3.589 3.556 3.603 0.103 9 0 "[ . 1]" 1
49 1 8 TYR H 1 9 ASN H 2.400 . 3.000 2.689 2.506 3.008 0.008 8 0 "[ . 1]" 1
50 1 8 TYR HB3 1 9 ASN H 2.650 . 3.500 2.375 2.010 3.542 0.042 7 0 "[ . 1]" 1
51 1 8 TYR HB2 1 9 ASN H 2.650 . 3.500 3.365 2.267 3.635 0.135 5 0 "[ . 1]" 1
52 1 8 TYR QD 1 9 ASN H 2.900 . 4.000 3.594 3.533 3.705 . 0 0 "[ . 1]" 1
53 1 9 ASN H 1 9 ASN HA 2.650 . 3.500 2.984 2.826 3.014 . 0 0 "[ . 1]" 1
54 1 9 ASN HA 1 9 ASN HB3 2.650 . 3.500 2.934 2.593 3.036 . 0 0 "[ . 1]" 1
55 1 9 ASN H 1 9 ASN HB3 2.650 . 3.500 2.926 2.468 3.605 0.105 3 0 "[ . 1]" 1
56 1 9 ASN HA 1 9 ASN HB2 2.650 . 3.500 2.670 2.419 3.012 . 0 0 "[ . 1]" 1
57 1 9 ASN H 1 9 ASN HB2 2.650 . 3.500 2.608 2.194 3.143 . 0 0 "[ . 1]" 1
58 1 9 ASN H 1 10 PHE H 2.400 . 3.000 2.191 1.874 2.855 . 0 0 "[ . 1]" 1
59 1 6 PHE HA 1 10 PHE QD 3.400 . 5.000 2.101 1.622 3.505 0.178 1 0 "[ . 1]" 1
60 1 6 PHE HB3 1 10 PHE QD 3.400 . 5.000 4.391 3.716 4.510 . 0 0 "[ . 1]" 1
61 1 9 ASN HA 1 10 PHE H 2.900 . 4.000 3.538 3.425 3.600 . 0 0 "[ . 1]" 1
62 1 9 ASN HB3 1 10 PHE H 2.650 . 3.500 2.996 2.402 3.539 0.039 6 0 "[ . 1]" 1
63 1 9 ASN HB2 1 10 PHE H 2.900 . 4.000 3.663 2.632 4.043 0.043 10 0 "[ . 1]" 1
64 1 10 PHE H 1 10 PHE HA 2.650 . 3.500 2.909 2.822 3.005 . 0 0 "[ . 1]" 1
65 1 10 PHE HA 1 10 PHE QD 3.400 . 5.000 2.324 1.928 2.698 . 0 0 "[ . 1]" 1
66 1 10 PHE H 1 10 PHE HB3 2.650 . 3.500 3.461 3.308 3.550 0.050 7 0 "[ . 1]" 1
67 1 10 PHE H 1 10 PHE HB2 2.400 . 3.000 2.151 2.004 2.326 . 0 0 "[ . 1]" 1
68 1 10 PHE H 1 10 PHE QD 2.900 . 4.000 2.982 2.396 3.628 . 0 0 "[ . 1]" 1
69 1 10 PHE H 1 11 ASN H 2.400 . 3.000 2.771 2.457 3.018 0.018 6 0 "[ . 1]" 1
70 1 10 PHE HZ 1 25 CYS QB 3.050 . 4.300 2.166 1.721 3.214 0.079 5 0 "[ . 1]" 1
71 1 10 PHE HZ 1 79 TYR HB3 2.900 . 4.000 2.748 1.772 4.045 0.045 9 0 "[ . 1]" 1
72 1 10 PHE QE 1 144 CYS HB3 3.400 . 5.000 3.941 2.513 4.581 . 0 0 "[ . 1]" 1
73 1 10 PHE HA 1 11 ASN H 2.650 . 3.500 3.321 2.932 3.520 0.020 9 0 "[ . 1]" 1
74 1 10 PHE HB3 1 11 ASN H 2.900 . 4.000 3.998 3.740 4.251 0.251 6 0 "[ . 1]" 1
75 1 11 ASN H 1 11 ASN HB3 2.650 . 3.500 2.643 2.317 3.546 0.046 10 0 "[ . 1]" 1
76 1 11 ASN H 1 11 ASN HB2 2.650 . 3.500 3.103 2.294 3.597 0.097 6 0 "[ . 1]" 1
77 1 11 ASN HB3 1 12 ASN H 2.900 . 4.000 3.923 3.045 4.192 0.192 5 0 "[ . 1]" 1
78 1 11 ASN HB2 1 12 ASN H 2.900 . 4.000 3.433 2.844 4.209 0.209 9 0 "[ . 1]" 1
79 1 12 ASN H 1 12 ASN HA 2.650 . 3.500 2.994 2.957 3.000 . 0 0 "[ . 1]" 1
80 1 12 ASN H 1 12 ASN QB 2.800 . 3.800 2.222 2.045 2.350 . 0 0 "[ . 1]" 1
81 1 12 ASN H 1 159 TRP HE1 2.650 . 3.500 3.385 2.863 3.554 0.054 2 0 "[ . 1]" 1
82 1 12 ASN H 1 159 TRP HZ2 2.400 . 3.000 1.806 1.767 1.862 0.033 8 0 "[ . 1]" 1
83 1 12 ASN HA 1 13 ARG H 2.900 . 4.000 3.494 3.159 3.593 . 0 0 "[ . 1]" 1
84 1 12 ASN H 1 13 ARG H 2.150 . 2.500 2.186 2.009 2.449 . 0 0 "[ . 1]" 1
85 1 12 ASN QB 1 13 ARG H 3.050 . 4.300 2.874 2.337 3.618 . 0 0 "[ . 1]" 1
86 1 13 ARG H 1 13 ARG HA 2.650 . 3.500 2.957 2.871 3.003 . 0 0 "[ . 1]" 1
87 1 13 ARG H 1 13 ARG QB 2.800 . 3.800 2.857 2.263 3.161 . 0 0 "[ . 1]" 1
88 1 13 ARG H 1 13 ARG HD3 2.400 . 3.000 2.671 2.212 3.071 0.071 4 0 "[ . 1]" 1
89 1 13 ARG H 1 13 ARG HD2 2.650 . 3.500 3.168 2.809 3.517 0.017 2 0 "[ . 1]" 1
90 1 13 ARG H 1 13 ARG HG3 2.400 . 3.000 2.420 1.921 3.284 0.284 2 0 "[ . 1]" 1
91 1 13 ARG H 1 159 TRP HE1 2.650 . 3.500 3.393 3.095 3.551 0.051 3 0 "[ . 1]" 1
92 1 13 ARG H 1 159 TRP HZ2 2.650 . 3.500 3.351 3.072 3.546 0.046 10 0 "[ . 1]" 1
93 1 15 ILE H 1 15 ILE HA 2.150 . 2.500 2.699 2.350 2.836 0.336 9 0 "[ . 1]" 1
94 1 15 ILE HA 1 15 ILE HB 2.400 . 3.000 3.023 3.003 3.030 0.030 2 0 "[ . 1]" 1
95 1 15 ILE H 1 15 ILE HB 2.400 . 3.000 2.583 2.350 3.203 0.203 5 0 "[ . 1]" 1
96 1 15 ILE HA 1 15 ILE MD 3.650 . 5.500 2.525 1.842 3.831 . 0 0 "[ . 1]" 1
97 1 15 ILE H 1 15 ILE MD 2.900 . 4.000 3.197 2.970 3.361 . 0 0 "[ . 1]" 1
98 1 15 ILE HA 1 15 ILE HG13 3.400 . 5.000 3.470 2.999 3.687 . 0 0 "[ . 1]" 1
99 1 15 ILE HA 1 15 ILE HG12 2.650 . 3.500 2.846 2.532 3.076 . 0 0 "[ . 1]" 1
100 1 15 ILE H 1 15 ILE HG12 2.400 . 3.000 2.477 2.029 3.093 0.093 2 0 "[ . 1]" 1
101 1 16 LEU H 1 16 LEU HA 2.900 . 4.000 2.968 2.854 3.005 . 0 0 "[ . 1]" 1
102 1 16 LEU H 1 16 LEU QB 3.050 . 4.300 2.447 2.055 3.002 . 0 0 "[ . 1]" 1
103 1 16 LEU HA 1 16 LEU MD1 3.650 . 5.500 2.873 1.902 3.855 . 0 0 "[ . 1]" 1
104 1 16 LEU H 1 16 LEU MD1 3.650 . 5.500 4.013 3.623 4.492 . 0 0 "[ . 1]" 1
105 1 24 LEU HA 1 24 LEU MD1 3.650 . 5.500 3.684 3.597 3.781 . 0 0 "[ . 1]" 1
106 1 24 LEU HA 1 25 CYS H 2.900 . 4.000 2.243 2.202 2.359 . 0 0 "[ . 1]" 1
107 1 24 LEU HB2 1 25 CYS H 2.900 . 4.000 3.147 2.746 3.268 . 0 0 "[ . 1]" 1
108 1 24 LEU MD1 1 25 CYS H 3.400 . 5.000 3.532 3.049 3.838 . 0 0 "[ . 1]" 1
109 1 25 CYS H 1 25 CYS QB 3.050 . 4.300 2.286 2.051 3.005 . 0 0 "[ . 1]" 1
110 1 25 CYS HA 1 46 GLN HA 3.900 . 6.000 2.473 2.167 2.790 . 0 0 "[ . 1]" 1
111 1 25 CYS H 1 79 TYR HB3 2.900 . 4.000 3.558 2.361 3.916 . 0 0 "[ . 1]" 1
112 1 25 CYS H 1 79 TYR HB2 2.900 . 4.000 2.750 2.467 3.991 . 0 0 "[ . 1]" 1
113 1 25 CYS H 1 80 ILE HA 2.900 . 4.000 4.027 3.903 4.083 0.083 7 0 "[ . 1]" 1
114 1 24 LEU MD1 1 26 TYR H 3.650 . 5.500 3.499 3.212 3.753 . 0 0 "[ . 1]" 1
115 1 24 LEU MD1 1 26 TYR HB3 3.150 . 4.500 2.206 1.915 2.420 . 0 0 "[ . 1]" 1
116 1 24 LEU MD1 1 26 TYR HB2 4.150 . 6.500 3.570 3.272 3.809 . 0 0 "[ . 1]" 1
117 1 24 LEU MD1 1 26 TYR QD 3.900 . 6.000 2.552 2.226 2.669 . 0 0 "[ . 1]" 1
118 1 24 LEU MD1 1 26 TYR QE 3.900 . 6.000 4.392 4.114 4.472 . 0 0 "[ . 1]" 1
119 1 26 TYR H 1 26 TYR HA 2.900 . 4.000 2.998 2.994 3.002 . 0 0 "[ . 1]" 1
120 1 26 TYR HA 1 26 TYR HB3 2.650 . 3.500 2.503 2.465 2.532 . 0 0 "[ . 1]" 1
121 1 26 TYR H 1 26 TYR HB3 2.400 . 3.000 2.938 2.859 3.064 0.064 2 0 "[ . 1]" 1
122 1 26 TYR HB3 1 26 TYR QD 2.900 . 4.000 2.412 2.364 2.495 . 0 0 "[ . 1]" 1
123 1 26 TYR HA 1 26 TYR HB2 2.650 . 3.500 2.422 2.405 2.454 . 0 0 "[ . 1]" 1
124 1 26 TYR HB2 1 26 TYR QD 3.150 . 4.500 2.445 2.360 2.507 . 0 0 "[ . 1]" 1
125 1 26 TYR H 1 26 TYR QD 2.900 . 4.000 2.519 2.203 2.749 . 0 0 "[ . 1]" 1
126 1 26 TYR QD 1 28 VAL MG1 3.400 . 5.000 3.647 3.405 3.752 . 0 0 "[ . 1]" 1
127 1 26 TYR QE 1 28 VAL MG1 3.400 . 5.000 3.703 3.593 3.732 . 0 0 "[ . 1]" 1
128 1 26 TYR QD 1 28 VAL MG2 3.650 . 5.500 2.446 1.782 3.445 0.018 4 0 "[ . 1]" 1
129 1 26 TYR QE 1 28 VAL MG2 3.900 . 6.000 2.264 1.877 3.083 . 0 0 "[ . 1]" 1
130 1 26 TYR H 1 45 GLY H 2.400 . 3.000 3.004 2.769 3.116 0.116 2 0 "[ . 1]" 1
131 1 26 TYR H 1 46 GLN HA 2.650 . 3.500 3.198 2.904 3.583 0.083 2 0 "[ . 1]" 1
132 1 26 TYR QE 1 62 LEU MD2 4.400 . 7.000 3.788 2.712 4.912 . 0 0 "[ . 1]" 1
133 1 26 TYR HB2 1 76 VAL MG1 3.650 . 5.500 3.046 2.629 3.474 . 0 0 "[ . 1]" 1
134 1 26 TYR HA 1 78 TRP HA 3.150 . 4.500 2.540 2.307 2.675 . 0 0 "[ . 1]" 1
135 1 26 TYR HA 1 27 GLU H 2.400 . 3.000 2.360 2.252 2.484 . 0 0 "[ . 1]" 1
136 1 26 TYR HB2 1 27 GLU H 2.650 . 3.500 2.681 2.426 2.928 . 0 0 "[ . 1]" 1
137 1 26 TYR QD 1 27 GLU H 3.150 . 4.500 3.195 2.780 3.612 . 0 0 "[ . 1]" 1
138 1 27 GLU H 1 76 VAL MG1 3.400 . 5.000 3.286 2.992 3.443 . 0 0 "[ . 1]" 1
139 1 27 GLU H 1 77 THR HB 2.650 . 3.500 3.090 2.730 3.510 0.010 6 0 "[ . 1]" 1
140 1 27 GLU H 1 77 THR H 2.650 . 3.500 2.731 2.445 2.811 . 0 0 "[ . 1]" 1
141 1 27 GLU H 1 78 TRP HA 3.150 . 4.500 4.010 3.821 4.140 . 0 0 "[ . 1]" 1
142 1 27 GLU H 1 78 TRP HD1 2.650 . 3.500 3.237 3.007 3.528 0.028 4 0 "[ . 1]" 1
143 1 26 TYR QD 1 28 VAL H 3.650 . 5.500 3.582 3.223 4.069 . 0 0 "[ . 1]" 1
144 1 28 VAL H 1 28 VAL HA 2.900 . 4.000 2.980 2.948 3.008 . 0 0 "[ . 1]" 1
145 1 28 VAL H 1 28 VAL HB 2.650 . 3.500 3.188 2.861 3.547 0.047 10 0 "[ . 1]" 1
146 1 28 VAL HA 1 28 VAL MG1 3.400 . 5.000 2.033 1.933 2.160 . 0 0 "[ . 1]" 1
147 1 28 VAL H 1 28 VAL MG1 3.400 . 5.000 3.560 3.231 3.764 . 0 0 "[ . 1]" 1
148 1 28 VAL H 1 28 VAL MG2 3.400 . 5.000 1.870 1.808 2.004 . 0 0 "[ . 1]" 1
149 1 28 VAL H 1 42 ILE MG 3.400 . 5.000 3.757 3.084 4.171 . 0 0 "[ . 1]" 1
150 1 28 VAL H 1 43 PHE H 2.650 . 3.500 2.956 2.696 3.506 0.006 2 0 "[ . 1]" 1
151 1 28 VAL H 1 43 PHE QB 3.300 . 4.800 3.338 2.713 3.840 . 0 0 "[ . 1]" 1
152 1 28 VAL H 1 43 PHE QD 3.400 . 5.000 4.288 3.651 4.500 . 0 0 "[ . 1]" 1
153 1 28 VAL H 1 44 ARG HA 2.650 . 3.500 3.502 3.277 3.566 0.066 6 0 "[ . 1]" 1
154 1 28 VAL HA 1 76 VAL HA 2.900 . 4.000 2.675 2.578 2.766 . 0 0 "[ . 1]" 1
155 1 28 VAL HA 1 76 VAL MG2 4.150 . 6.500 3.255 2.902 3.469 . 0 0 "[ . 1]" 1
156 1 28 VAL HA 1 29 LYS H 2.400 . 3.000 2.210 2.185 2.244 . 0 0 "[ . 1]" 1
157 1 29 LYS H 1 29 LYS HA 2.900 . 4.000 3.000 2.992 3.006 . 0 0 "[ . 1]" 1
158 1 29 LYS H 1 29 LYS HB3 2.650 . 3.500 3.248 2.360 3.563 0.063 9 0 "[ . 1]" 1
159 1 29 LYS H 1 29 LYS HB2 2.650 . 3.500 2.941 2.324 3.706 0.206 10 0 "[ . 1]" 1
160 1 29 LYS H 1 29 LYS QD 3.300 . 4.800 4.070 3.746 4.367 . 0 0 "[ . 1]" 1
161 1 29 LYS H 1 29 LYS QG 3.050 . 4.300 2.922 1.921 3.932 . 0 0 "[ . 1]" 1
162 1 29 LYS QE 1 42 ILE MD 4.300 . 6.800 3.741 2.559 5.049 . 0 0 "[ . 1]" 1
163 1 29 LYS H 1 76 VAL HA 2.650 . 3.500 2.954 2.819 3.069 . 0 0 "[ . 1]" 1
164 1 29 LYS H 1 76 VAL MG1 3.150 . 4.500 3.765 3.561 3.807 . 0 0 "[ . 1]" 1
165 1 29 LYS H 1 76 VAL MG2 3.400 . 5.000 3.655 3.464 3.863 . 0 0 "[ . 1]" 1
166 1 29 LYS HA 1 30 THR H 2.400 . 3.000 2.684 2.502 2.861 . 0 0 "[ . 1]" 1
167 1 29 LYS HB3 1 30 THR H 2.650 . 3.500 2.864 2.029 3.582 0.082 4 0 "[ . 1]" 1
168 1 29 LYS QG 1 30 THR H 3.050 . 4.300 3.093 1.859 3.471 . 0 0 "[ . 1]" 1
169 1 30 THR H 1 30 THR HA 2.400 . 3.000 2.985 2.976 3.000 0.000 10 0 "[ . 1]" 1
170 1 30 THR HA 1 30 THR HB 2.650 . 3.500 2.680 2.391 3.022 . 0 0 "[ . 1]" 1
171 1 30 THR H 1 30 THR HB 2.650 . 3.500 3.223 2.646 3.552 0.052 9 0 "[ . 1]" 1
172 1 30 THR H 1 30 THR MG 3.150 . 4.500 2.928 1.902 3.780 . 0 0 "[ . 1]" 1
173 1 30 THR HA 1 31 LYS H 2.400 . 3.000 2.398 2.301 2.498 . 0 0 "[ . 1]" 1
174 1 30 THR HB 1 31 LYS H 2.650 . 3.500 3.126 2.470 3.691 0.191 10 0 "[ . 1]" 1
175 1 30 THR MG 1 31 LYS H 3.150 . 4.500 3.206 2.145 3.634 . 0 0 "[ . 1]" 1
176 1 31 LYS H 1 31 LYS HG3 2.650 . 3.500 2.777 2.126 3.713 0.213 4 0 "[ . 1]" 1
177 1 31 LYS H 1 32 GLY H 3.150 . 4.500 3.047 2.334 4.308 . 0 0 "[ . 1]" 1
178 1 31 LYS H 1 73 GLU H 2.900 . 4.000 4.045 3.978 4.138 0.138 7 0 "[ . 1]" 1
179 1 31 LYS H 1 74 TYR HA 2.900 . 4.000 2.521 2.345 2.687 . 0 0 "[ . 1]" 1
180 1 31 LYS H 1 74 TYR QD 3.150 . 4.500 3.838 3.515 4.017 . 0 0 "[ . 1]" 1
181 1 31 LYS H 1 75 GLU H 2.900 . 3.500 3.535 3.343 3.596 0.096 7 0 "[ . 1]" 1
182 1 30 THR MG 1 32 GLY H 3.400 . 5.000 3.789 2.472 4.244 . 0 0 "[ . 1]" 1
183 1 31 LYS QB 1 32 GLY H 3.050 . 4.300 2.989 1.645 3.609 0.155 10 0 "[ . 1]" 1
184 1 31 LYS QD 1 32 GLY H 3.050 . 4.300 3.528 2.817 3.863 . 0 0 "[ . 1]" 1
185 1 31 LYS HG2 1 32 GLY H 2.650 . 3.500 3.567 3.500 3.678 0.178 4 0 "[ . 1]" 1
186 1 34 SER H 1 34 SER HA 2.650 . 3.500 2.945 2.919 2.977 . 0 0 "[ . 1]" 1
187 1 34 SER H 1 34 SER QB 3.050 . 4.300 2.213 1.997 2.543 . 0 0 "[ . 1]" 1
188 1 34 SER HA 1 35 ARG H 2.400 . 3.000 2.620 2.203 3.154 0.154 7 0 "[ . 1]" 1
189 1 34 SER QB 1 35 ARG H 2.800 . 3.800 2.763 1.922 3.529 . 0 0 "[ . 1]" 1
190 1 35 ARG H 1 35 ARG QB 3.300 . 4.800 2.280 2.060 2.472 . 0 0 "[ . 1]" 1
191 1 35 ARG H 1 35 ARG HG3 2.650 . 3.500 3.117 2.585 3.534 0.034 6 0 "[ . 1]" 1
192 1 35 ARG H 1 35 ARG HG2 2.400 . 3.000 2.627 2.005 3.016 0.016 2 0 "[ . 1]" 1
193 1 38 LEU H 1 38 LEU HA 2.900 . 4.000 2.934 2.891 2.983 . 0 0 "[ . 1]" 1
194 1 38 LEU H 1 38 LEU HB3 2.650 . 3.500 3.439 3.012 3.539 0.039 2 0 "[ . 1]" 1
195 1 38 LEU H 1 38 LEU HB2 2.400 . 3.000 2.202 1.961 2.317 . 0 0 "[ . 1]" 1
196 1 38 LEU HA 1 38 LEU MD1 3.650 . 5.500 3.375 1.913 3.834 . 0 0 "[ . 1]" 1
197 1 38 LEU H 1 38 LEU MD1 3.650 . 5.500 3.003 2.098 4.119 . 0 0 "[ . 1]" 1
198 1 38 LEU HA 1 39 ASP H 2.400 . 3.000 2.718 2.476 2.930 . 0 0 "[ . 1]" 1
199 1 38 LEU HB3 1 39 ASP H 2.650 . 3.500 2.089 1.870 2.351 . 0 0 "[ . 1]" 1
200 1 38 LEU HB2 1 39 ASP H 2.650 . 3.500 3.430 3.122 3.557 0.057 3 0 "[ . 1]" 1
201 1 39 ASP H 1 39 ASP HA 2.400 . 3.000 2.864 2.359 3.002 0.002 5 0 "[ . 1]" 1
202 1 39 ASP H 1 39 ASP QB 2.800 . 3.800 2.407 2.133 2.905 . 0 0 "[ . 1]" 1
203 1 39 ASP H 1 40 ALA H 2.400 . 3.000 2.652 2.147 3.025 0.025 2 0 "[ . 1]" 1
204 1 39 ASP QB 1 40 ALA H 2.800 . 3.800 2.470 1.977 3.494 . 0 0 "[ . 1]" 1
205 1 40 ALA H 1 40 ALA HA 2.400 . 3.000 2.826 2.352 2.999 . 0 0 "[ . 1]" 1
206 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.581 2.120 2.843 . 0 0 "[ . 1]" 1
207 1 41 LYS HA 1 41 LYS QG 3.050 . 4.300 2.185 2.069 2.338 . 0 0 "[ . 1]" 1
208 1 29 LYS HA 1 42 ILE HA 2.900 . 4.000 2.866 2.435 3.229 . 0 0 "[ . 1]" 1
209 1 40 ALA MB 1 42 ILE H 3.150 . 4.500 3.422 2.520 3.804 . 0 0 "[ . 1]" 1
210 1 41 LYS H 1 42 ILE H 2.650 . 3.500 2.930 2.588 3.515 0.015 1 0 "[ . 1]" 1
211 1 41 LYS QB 1 42 ILE H 3.550 . 5.300 3.868 3.640 4.012 . 0 0 "[ . 1]" 1
212 1 42 ILE H 1 42 ILE HA 2.650 . 3.500 2.994 2.960 3.005 . 0 0 "[ . 1]" 1
213 1 42 ILE HA 1 42 ILE HB 2.900 . 4.000 3.040 3.032 3.043 . 0 0 "[ . 1]" 1
214 1 42 ILE H 1 42 ILE HB 2.400 . 3.000 2.421 2.233 2.475 . 0 0 "[ . 1]" 1
215 1 42 ILE HA 1 42 ILE MD 4.150 . 6.500 3.733 3.417 3.864 . 0 0 "[ . 1]" 1
216 1 42 ILE HA 1 42 ILE HG13 3.400 . 5.000 2.499 2.296 2.654 . 0 0 "[ . 1]" 1
217 1 42 ILE HA 1 42 ILE HG12 3.400 . 5.000 3.030 2.635 3.448 . 0 0 "[ . 1]" 1
218 1 42 ILE H 1 42 ILE MG 3.150 . 4.500 3.762 3.678 3.793 . 0 0 "[ . 1]" 1
219 1 28 VAL HB 1 43 PHE H 2.900 . 4.000 3.359 2.932 4.009 0.009 10 0 "[ . 1]" 1
220 1 28 VAL MG1 1 43 PHE H 3.650 . 5.500 4.613 4.495 4.653 . 0 0 "[ . 1]" 1
221 1 28 VAL MG2 1 43 PHE QD 3.900 . 6.000 2.771 2.332 3.597 . 0 0 "[ . 1]" 1
222 1 29 LYS HA 1 43 PHE H 3.150 . 4.500 4.126 3.555 4.531 0.031 10 0 "[ . 1]" 1
223 1 42 ILE HA 1 43 PHE H 2.400 . 3.000 2.247 2.216 2.260 . 0 0 "[ . 1]" 1
224 1 42 ILE MG 1 43 PHE H 3.400 . 5.000 2.865 2.419 3.294 . 0 0 "[ . 1]" 1
225 1 43 PHE HA 1 43 PHE QD 3.150 . 4.500 2.774 2.308 3.010 . 0 0 "[ . 1]" 1
226 1 43 PHE H 1 43 PHE QB 2.800 . 3.800 2.403 2.304 2.506 . 0 0 "[ . 1]" 1
227 1 43 PHE H 1 43 PHE QD 3.400 . 5.000 3.962 2.525 4.340 . 0 0 "[ . 1]" 1
228 1 43 PHE HA 1 44 ARG H 2.400 . 3.000 2.264 2.204 2.444 . 0 0 "[ . 1]" 1
229 1 43 PHE QB 1 44 ARG H 3.050 . 4.300 3.614 2.852 3.875 . 0 0 "[ . 1]" 1
230 1 43 PHE QD 1 44 ARG H 3.150 . 4.500 3.547 3.065 4.041 . 0 0 "[ . 1]" 1
231 1 44 ARG H 1 44 ARG HA 2.900 . 4.000 2.997 2.985 3.004 . 0 0 "[ . 1]" 1
232 1 44 ARG H 1 44 ARG HB2 2.650 . 3.500 2.642 2.269 3.630 0.130 10 0 "[ . 1]" 1
233 1 44 ARG H 1 44 ARG QG 3.050 . 4.300 2.901 1.883 3.676 . 0 0 "[ . 1]" 1
234 1 26 TYR QD 1 45 GLY H 3.400 . 5.000 3.587 3.246 4.242 . 0 0 "[ . 1]" 1
235 1 26 TYR QE 1 45 GLY H 3.400 . 5.000 3.646 3.219 4.548 . 0 0 "[ . 1]" 1
236 1 44 ARG HA 1 45 GLY H 2.650 . 3.500 2.279 2.208 2.549 . 0 0 "[ . 1]" 1
237 1 44 ARG HB3 1 45 GLY H 2.650 . 3.500 3.430 3.197 3.683 0.183 10 0 "[ . 1]" 1
238 1 44 ARG QG 1 45 GLY H 3.300 . 4.800 4.043 3.779 4.234 . 0 0 "[ . 1]" 1
239 1 45 GLY H 1 45 GLY HA3 2.650 . 3.500 2.660 2.594 2.697 . 0 0 "[ . 1]" 1
240 1 45 GLY H 1 45 GLY HA2 2.650 . 3.500 2.967 2.957 2.990 . 0 0 "[ . 1]" 1
241 1 26 TYR QD 1 46 GLN H 3.150 . 4.500 4.063 4.042 4.098 . 0 0 "[ . 1]" 1
242 1 26 TYR QE 1 46 GLN H 3.150 . 4.500 2.570 2.405 2.825 . 0 0 "[ . 1]" 1
243 1 45 GLY HA3 1 46 GLN H 2.400 . 3.000 2.465 2.313 2.994 . 0 0 "[ . 1]" 1
244 1 45 GLY HA2 1 46 GLN H 2.400 . 3.000 2.734 2.236 2.920 . 0 0 "[ . 1]" 1
245 1 46 GLN H 1 46 GLN HA 2.650 . 3.500 2.964 2.951 2.978 . 0 0 "[ . 1]" 1
246 1 46 GLN H 1 46 GLN HB3 2.650 . 3.500 3.531 3.496 3.594 0.094 2 0 "[ . 1]" 1
247 1 46 GLN H 1 46 GLN HB2 2.400 . 3.000 2.635 2.552 2.659 . 0 0 "[ . 1]" 1
248 1 46 GLN H 1 46 GLN QG 3.050 . 4.300 3.819 3.724 3.869 . 0 0 "[ . 1]" 1
249 1 24 LEU MD1 1 47 VAL HB 4.150 . 6.500 4.735 3.727 5.391 . 0 0 "[ . 1]" 1
250 1 24 LEU MD1 1 47 VAL H 4.150 . 6.500 4.824 4.113 5.450 . 0 0 "[ . 1]" 1
251 1 24 LEU MD1 1 47 VAL MG2 4.400 . 7.000 3.270 2.185 4.887 . 0 0 "[ . 1]" 1
252 1 46 GLN HA 1 47 VAL H 2.900 . 4.000 2.768 2.237 3.535 . 0 0 "[ . 1]" 1
253 1 46 GLN HB3 1 47 VAL H 3.150 . 4.500 2.312 1.847 3.703 . 0 0 "[ . 1]" 1
254 1 46 GLN HB2 1 47 VAL H 3.150 . 4.500 3.658 2.518 4.564 0.064 2 0 "[ . 1]" 1
255 1 46 GLN QG 1 47 VAL H 3.550 . 5.300 3.080 2.798 3.882 . 0 0 "[ . 1]" 1
256 1 47 VAL H 1 47 VAL HB 2.900 . 4.000 2.678 2.278 3.710 . 0 0 "[ . 1]" 1
257 1 47 VAL H 1 47 VAL MG2 3.150 . 4.500 2.841 1.984 3.878 . 0 0 "[ . 1]" 1
258 1 50 GLU H 1 51 ASP H 2.650 . 3.500 2.999 2.014 3.549 0.049 5 0 "[ . 1]" 1
259 1 52 LYS H 1 52 LYS HA 2.650 . 3.500 2.892 2.855 2.967 . 0 0 "[ . 1]" 1
260 1 52 LYS H 1 52 LYS QB 2.800 . 3.800 2.187 2.084 2.390 . 0 0 "[ . 1]" 1
261 1 52 LYS H 1 52 LYS HG3 2.650 . 3.500 2.722 2.456 3.527 0.027 8 0 "[ . 1]" 1
262 1 52 LYS HA 1 52 LYS HG2 2.650 . 3.500 2.414 2.101 3.570 0.070 8 0 "[ . 1]" 1
263 1 52 LYS H 1 52 LYS HG2 2.900 . 4.000 3.420 2.014 3.948 . 0 0 "[ . 1]" 1
264 1 52 LYS H 1 53 TYR H 2.400 . 3.000 2.775 2.404 3.031 0.031 4 0 "[ . 1]" 1
265 1 52 LYS HA 1 53 TYR H 2.900 . 4.000 3.508 2.951 3.602 . 0 0 "[ . 1]" 1
266 1 52 LYS QB 1 53 TYR H 3.050 . 4.300 2.716 2.143 3.806 . 0 0 "[ . 1]" 1
267 1 53 TYR HA 1 53 TYR QD 3.150 . 4.500 2.373 2.049 2.936 . 0 0 "[ . 1]" 1
268 1 53 TYR H 1 53 TYR HB3 2.400 . 3.000 3.031 2.961 3.079 0.079 3 0 "[ . 1]" 1
269 1 53 TYR HB3 1 53 TYR QD 2.900 . 4.000 2.368 2.284 2.751 . 0 0 "[ . 1]" 1
270 1 53 TYR H 1 53 TYR HB2 2.400 . 3.000 2.130 2.017 2.336 . 0 0 "[ . 1]" 1
271 1 53 TYR HB2 1 53 TYR QD 2.900 . 4.000 2.614 2.314 2.768 . 0 0 "[ . 1]" 1
272 1 53 TYR H 1 53 TYR QD 3.150 . 4.500 3.758 3.599 4.045 . 0 0 "[ . 1]" 1
273 1 53 TYR QD 1 57 MET HB3 3.150 . 4.500 3.891 3.542 4.056 . 0 0 "[ . 1]" 1
274 1 53 TYR QE 1 57 MET HB3 3.150 . 4.500 3.759 3.166 4.043 . 0 0 "[ . 1]" 1
275 1 53 TYR QE 1 57 MET HB2 3.400 . 5.000 2.990 2.482 4.515 . 0 0 "[ . 1]" 1
276 1 53 TYR QD 1 58 ARG QB 3.800 . 5.800 3.903 3.043 4.478 . 0 0 "[ . 1]" 1
277 1 53 TYR HB3 1 54 HIS H 2.900 . 4.000 3.415 2.717 4.009 0.009 4 0 "[ . 1]" 1
278 1 53 TYR QD 1 54 HIS H 3.150 . 4.500 3.231 2.174 4.019 . 0 0 "[ . 1]" 1
279 1 56 GLU QG 1 57 MET H 3.300 . 4.800 3.812 2.509 4.279 . 0 0 "[ . 1]" 1
280 1 57 MET H 1 57 MET HA 2.650 . 3.500 2.946 2.904 2.994 . 0 0 "[ . 1]" 1
281 1 57 MET H 1 57 MET HB3 2.650 . 3.500 3.467 2.895 3.627 0.127 4 0 "[ . 1]" 1
282 1 57 MET H 1 57 MET HB2 2.650 . 3.500 2.373 2.147 3.622 0.122 1 0 "[ . 1]" 1
283 1 57 MET H 1 57 MET HG3 2.400 . 3.000 2.901 1.799 3.077 0.077 2 0 "[ . 1]" 1
284 1 57 MET H 1 57 MET HG2 2.400 . 3.000 2.983 2.877 3.078 0.078 8 0 "[ . 1]" 1
285 1 57 MET H 1 58 ARG H 2.400 . 3.000 2.504 2.099 2.754 . 0 0 "[ . 1]" 1
286 1 57 MET HA 1 60 LEU MD1 3.650 . 5.500 2.001 1.648 2.959 0.152 6 0 "[ . 1]" 1
287 1 57 MET HA 1 60 LEU MD2 3.150 . 4.500 3.639 2.346 3.898 . 0 0 "[ . 1]" 1
288 1 57 MET HA 1 95 PHE HB2 2.650 . 3.500 3.672 3.608 3.744 0.244 8 0 "[ . 1]" 1
289 1 53 TYR HB3 1 58 ARG H 2.900 . 4.000 3.358 3.085 3.613 . 0 0 "[ . 1]" 1
290 1 53 TYR HB2 1 58 ARG H 3.150 . 4.500 4.541 4.266 4.668 0.168 1 0 "[ . 1]" 1
291 1 57 MET HA 1 58 ARG H 2.900 . 4.000 3.578 3.494 3.619 . 0 0 "[ . 1]" 1
292 1 57 MET HB3 1 58 ARG H 3.900 . 6.000 3.756 3.048 3.976 . 0 0 "[ . 1]" 1
293 1 57 MET HB2 1 58 ARG H 2.650 . 3.500 2.988 2.109 3.627 0.127 1 0 "[ . 1]" 1
294 1 58 ARG H 1 58 ARG HA 2.650 . 3.500 2.867 2.787 2.936 . 0 0 "[ . 1]" 1
295 1 58 ARG H 1 58 ARG QB 2.800 . 3.800 2.289 1.941 2.599 . 0 0 "[ . 1]" 1
296 1 58 ARG H 1 58 ARG HD3 2.650 . 3.500 3.442 2.748 3.692 0.192 5 0 "[ . 1]" 1
297 1 58 ARG H 1 58 ARG QG 2.800 . 3.800 2.369 1.733 3.554 0.067 1 0 "[ . 1]" 1
298 1 58 ARG H 1 59 PHE H 2.400 . 3.000 2.735 2.402 3.088 0.088 6 0 "[ . 1]" 1
299 1 24 LEU MD1 1 59 PHE QD 4.400 . 7.000 5.071 4.834 5.245 . 0 0 "[ . 1]" 1
300 1 26 TYR HB2 1 59 PHE QE 3.150 . 4.500 4.018 3.854 4.089 . 0 0 "[ . 1]" 1
301 1 28 VAL MG1 1 59 PHE QD 3.650 . 5.500 4.073 3.881 4.169 . 0 0 "[ . 1]" 1
302 1 28 VAL MG1 1 59 PHE QE 3.900 . 6.000 2.198 1.949 2.377 . 0 0 "[ . 1]" 1
303 1 28 VAL MG2 1 59 PHE QD 3.900 . 6.000 4.031 3.386 4.501 . 0 0 "[ . 1]" 1
304 1 28 VAL MG2 1 59 PHE QE 3.900 . 6.000 2.354 1.866 2.727 . 0 0 "[ . 1]" 1
305 1 58 ARG HA 1 59 PHE H 2.650 . 3.500 3.538 3.498 3.577 0.077 8 0 "[ . 1]" 1
306 1 58 ARG QB 1 59 PHE H 3.050 . 4.300 3.054 2.141 3.637 . 0 0 "[ . 1]" 1
307 1 58 ARG QG 1 59 PHE H 3.050 . 4.300 2.816 1.893 4.010 . 0 0 "[ . 1]" 1
308 1 59 PHE H 1 59 PHE HA 2.650 . 3.500 2.878 2.809 2.919 . 0 0 "[ . 1]" 1
309 1 59 PHE HA 1 59 PHE QD 3.150 . 4.500 2.937 2.259 3.330 . 0 0 "[ . 1]" 1
310 1 59 PHE H 1 59 PHE HB3 2.650 . 3.500 2.166 2.069 2.379 . 0 0 "[ . 1]" 1
311 1 59 PHE HB3 1 59 PHE QD 2.900 . 4.000 2.404 2.297 2.549 . 0 0 "[ . 1]" 1
312 1 59 PHE HA 1 59 PHE HB2 2.650 . 3.500 2.375 2.322 2.485 . 0 0 "[ . 1]" 1
313 1 59 PHE H 1 59 PHE HB2 2.650 . 3.500 2.762 2.579 2.883 . 0 0 "[ . 1]" 1
314 1 59 PHE HB2 1 59 PHE QD 2.900 . 4.000 2.472 2.318 2.676 . 0 0 "[ . 1]" 1
315 1 59 PHE QD 1 60 LEU HG 3.400 . 5.000 2.939 2.277 4.476 . 0 0 "[ . 1]" 1
316 1 59 PHE H 1 60 LEU H 2.400 . 3.000 2.614 2.407 2.831 . 0 0 "[ . 1]" 1
317 1 59 PHE QD 1 60 LEU MD1 3.900 . 6.000 3.381 1.794 4.483 0.006 8 0 "[ . 1]" 1
318 1 59 PHE QD 1 60 LEU MD2 4.400 . 7.000 2.702 1.642 4.105 0.158 2 0 "[ . 1]" 1
319 1 59 PHE QE 1 60 LEU MD2 3.900 . 6.000 3.464 2.273 4.506 . 0 0 "[ . 1]" 1
320 1 59 PHE HA 1 62 LEU QB 3.550 . 5.300 4.239 3.998 4.758 . 0 0 "[ . 1]" 1
321 1 59 PHE HA 1 62 LEU MD1 3.400 . 5.000 3.562 1.909 4.171 . 0 0 "[ . 1]" 1
322 1 59 PHE HA 1 62 LEU MD2 3.400 . 5.000 2.642 2.037 4.174 . 0 0 "[ . 1]" 1
323 1 59 PHE QD 1 62 LEU MD2 4.400 . 7.000 3.044 2.061 5.204 . 0 0 "[ . 1]" 1
324 1 59 PHE QD 1 63 VAL MG2 3.650 . 5.500 3.628 3.077 4.092 . 0 0 "[ . 1]" 1
325 1 59 PHE QD 1 76 VAL MG1 3.650 . 5.500 3.778 3.213 4.045 . 0 0 "[ . 1]" 1
326 1 59 PHE QE 1 76 VAL MG1 3.650 . 5.500 2.155 1.797 2.531 0.003 8 0 "[ . 1]" 1
327 1 59 PHE QD 1 76 VAL MG2 4.400 . 7.000 4.891 4.540 5.202 . 0 0 "[ . 1]" 1
328 1 59 PHE QE 1 76 VAL MG2 3.900 . 6.000 3.161 2.574 3.562 . 0 0 "[ . 1]" 1
329 1 57 MET HA 1 60 LEU H 2.900 . 4.000 3.514 3.033 4.107 0.107 8 0 "[ . 1]" 1
330 1 59 PHE HB3 1 60 LEU H 2.900 . 4.000 3.010 2.783 3.403 . 0 0 "[ . 1]" 1
331 1 59 PHE QD 1 60 LEU H 3.150 . 4.500 3.349 2.733 4.064 . 0 0 "[ . 1]" 1
332 1 60 LEU H 1 60 LEU HA 2.650 . 3.500 2.898 2.848 2.923 . 0 0 "[ . 1]" 1
333 1 60 LEU H 1 60 LEU HG 2.400 . 3.000 2.422 1.862 3.094 0.094 4 0 "[ . 1]" 1
334 1 60 LEU HA 1 60 LEU HB2 2.900 . 4.000 3.023 3.013 3.033 . 0 0 "[ . 1]" 1
335 1 60 LEU HB2 1 60 LEU HG 2.650 . 3.500 2.642 2.243 3.002 . 0 0 "[ . 1]" 1
336 1 60 LEU H 1 60 LEU HB2 2.900 . 4.000 2.358 2.161 2.587 . 0 0 "[ . 1]" 1
337 1 60 LEU HA 1 60 LEU MD1 3.150 . 4.500 3.559 3.195 3.841 . 0 0 "[ . 1]" 1
338 1 60 LEU H 1 60 LEU MD1 3.400 . 5.000 2.867 1.805 3.833 . 0 0 "[ . 1]" 1
339 1 60 LEU HA 1 60 LEU MD2 3.650 . 5.500 2.525 1.876 3.449 . 0 0 "[ . 1]" 1
340 1 60 LEU H 1 60 LEU MD2 3.400 . 5.000 3.303 1.850 4.073 . 0 0 "[ . 1]" 1
341 1 60 LEU HA 1 63 VAL HB 2.900 . 4.000 3.045 2.343 3.482 . 0 0 "[ . 1]" 1
342 1 60 LEU HA 1 63 VAL MG2 3.400 . 5.000 2.324 1.960 3.010 . 0 0 "[ . 1]" 1
343 1 58 ARG HA 1 61 SER H 2.650 . 3.500 3.525 3.420 3.580 0.080 2 0 "[ . 1]" 1
344 1 60 LEU HA 1 61 SER H 2.650 . 3.500 3.551 3.521 3.566 0.066 10 0 "[ . 1]" 1
345 1 60 LEU HB3 1 61 SER H 2.650 . 3.500 3.615 3.537 3.675 0.175 8 0 "[ . 1]" 1
346 1 60 LEU HB2 1 61 SER H 2.900 . 4.000 2.533 2.293 2.830 . 0 0 "[ . 1]" 1
347 1 60 LEU MD1 1 61 SER H 3.650 . 5.500 4.188 3.554 4.686 . 0 0 "[ . 1]" 1
348 1 60 LEU MD2 1 61 SER H 4.150 . 6.500 4.604 3.947 4.978 . 0 0 "[ . 1]" 1
349 1 61 SER H 1 61 SER HA 2.400 . 3.000 2.841 2.816 2.864 . 0 0 "[ . 1]" 1
350 1 61 SER H 1 61 SER QB 2.550 . 3.300 2.288 2.150 2.520 . 0 0 "[ . 1]" 1
351 1 61 SER H 1 62 LEU H 2.400 . 3.000 2.877 2.753 3.055 0.055 9 0 "[ . 1]" 1
352 1 59 PHE HA 1 62 LEU H 2.900 . 4.000 3.949 3.663 4.085 0.085 9 0 "[ . 1]" 1
353 1 61 SER HA 1 62 LEU H 2.650 . 3.500 3.582 3.526 3.621 0.121 9 0 "[ . 1]" 1
354 1 61 SER QB 1 62 LEU H 2.800 . 3.800 2.662 2.250 3.401 . 0 0 "[ . 1]" 1
355 1 62 LEU H 1 62 LEU HA 2.650 . 3.500 2.885 2.838 2.931 . 0 0 "[ . 1]" 1
356 1 62 LEU H 1 62 LEU HG 2.400 . 3.000 2.157 1.794 3.490 0.490 9 0 "[ . 1]" 1
357 1 62 LEU H 1 62 LEU QB 3.050 . 4.300 2.495 2.369 2.587 . 0 0 "[ . 1]" 1
358 1 62 LEU H 1 62 LEU MD1 3.150 . 4.500 3.238 1.671 3.646 0.129 9 0 "[ . 1]" 1
359 1 62 LEU H 1 62 LEU MD2 3.150 . 4.500 3.332 3.235 3.517 . 0 0 "[ . 1]" 1
360 1 62 LEU H 1 63 VAL H 2.400 . 3.000 2.606 2.386 2.737 . 0 0 "[ . 1]" 1
361 1 62 LEU HA 1 65 LYS HB3 2.400 . 3.000 3.038 3.006 3.081 0.081 1 0 "[ . 1]" 1
362 1 60 LEU HA 1 63 VAL H 2.650 . 3.500 3.460 3.149 3.621 0.121 9 0 "[ . 1]" 1
363 1 62 LEU HA 1 63 VAL H 2.650 . 3.500 3.516 3.487 3.535 0.035 9 0 "[ . 1]" 1
364 1 62 LEU HG 1 63 VAL H 2.650 . 3.500 2.805 2.390 3.928 0.428 9 0 "[ . 1]" 1
365 1 62 LEU QB 1 63 VAL H 3.050 . 4.300 3.504 2.350 3.700 . 0 0 "[ . 1]" 1
366 1 62 LEU MD1 1 63 VAL H 3.150 . 4.500 2.435 1.636 3.779 0.164 9 0 "[ . 1]" 1
367 1 63 VAL H 1 63 VAL HA 2.650 . 3.500 2.886 2.877 2.901 . 0 0 "[ . 1]" 1
368 1 63 VAL H 1 63 VAL HB 2.400 . 3.000 2.463 2.322 2.520 . 0 0 "[ . 1]" 1
369 1 63 VAL HA 1 63 VAL MG2 3.150 . 4.500 2.383 2.271 2.491 . 0 0 "[ . 1]" 1
370 1 63 VAL H 1 63 VAL MG2 2.900 . 4.000 2.017 1.902 2.267 . 0 0 "[ . 1]" 1
371 1 63 VAL H 1 64 SER H 2.150 . 2.500 2.569 2.539 2.610 0.110 1 0 "[ . 1]" 1
372 1 61 SER HA 1 64 SER H 2.400 . 3.000 3.252 3.201 3.293 0.293 4 0 "[ . 1]" 1
373 1 63 VAL HA 1 64 SER H 2.900 . 4.000 3.566 3.558 3.578 . 0 0 "[ . 1]" 1
374 1 63 VAL HB 1 64 SER H 2.650 . 3.500 2.609 2.504 2.661 . 0 0 "[ . 1]" 1
375 1 63 VAL MG1 1 64 SER H 3.400 . 5.000 3.565 3.319 3.651 . 0 0 "[ . 1]" 1
376 1 63 VAL MG2 1 64 SER H 3.150 . 4.500 3.781 3.715 3.888 . 0 0 "[ . 1]" 1
377 1 64 SER H 1 64 SER QB 2.550 . 3.300 2.230 2.132 2.350 . 0 0 "[ . 1]" 1
378 1 62 LEU HA 1 65 LYS H 2.900 . 4.000 2.968 2.850 3.243 . 0 0 "[ . 1]" 1
379 1 64 SER QB 1 65 LYS H 2.800 . 3.800 2.726 2.625 2.933 . 0 0 "[ . 1]" 1
380 1 65 LYS H 1 65 LYS HA 2.400 . 3.000 2.928 2.856 2.979 . 0 0 "[ . 1]" 1
381 1 65 LYS H 1 65 LYS HB3 2.400 . 3.000 2.871 2.329 3.226 0.226 5 0 "[ . 1]" 1
382 1 65 LYS H 1 65 LYS HG3 2.650 . 3.500 3.296 2.617 3.582 0.082 3 0 "[ . 1]" 1
383 1 65 LYS H 1 65 LYS HG2 2.650 . 3.500 3.336 2.504 3.561 0.061 2 0 "[ . 1]" 1
384 1 65 LYS H 1 66 TRP H 2.400 . 3.000 2.570 2.397 2.680 . 0 0 "[ . 1]" 1
385 1 28 VAL MG2 1 66 TRP HH2 3.400 . 5.000 2.587 1.829 3.778 . 0 0 "[ . 1]" 1
386 1 28 VAL MG2 1 66 TRP HZ3 4.150 . 6.500 2.825 1.898 4.068 . 0 0 "[ . 1]" 1
387 1 62 LEU MD2 1 66 TRP HE1 2.900 . 4.000 3.399 3.350 3.421 . 0 0 "[ . 1]" 1
388 1 62 LEU MD2 1 66 TRP HH2 3.400 . 5.000 3.933 2.781 4.178 . 0 0 "[ . 1]" 1
389 1 62 LEU MD2 1 66 TRP HZ2 3.400 . 5.000 2.753 2.202 2.955 . 0 0 "[ . 1]" 1
390 1 62 LEU MD2 1 66 TRP HZ3 4.150 . 6.500 5.224 4.013 5.437 . 0 0 "[ . 1]" 1
391 1 63 VAL HA 1 66 TRP H 2.900 . 4.000 3.637 3.321 4.032 0.032 9 0 "[ . 1]" 1
392 1 63 VAL HA 1 66 TRP HE3 2.900 . 4.000 3.679 3.055 3.901 . 0 0 "[ . 1]" 1
393 1 63 VAL MG1 1 66 TRP HE3 4.150 . 6.500 4.333 2.857 4.664 . 0 0 "[ . 1]" 1
394 1 63 VAL MG2 1 66 TRP HE3 3.650 . 5.500 4.382 3.875 4.614 . 0 0 "[ . 1]" 1
395 1 63 VAL MG2 1 66 TRP HZ3 4.150 . 6.500 4.496 2.690 4.979 . 0 0 "[ . 1]" 1
396 1 65 LYS HA 1 66 TRP H 2.900 . 4.000 3.415 3.347 3.578 . 0 0 "[ . 1]" 1
397 1 66 TRP HA 1 66 TRP HD1 2.400 . 3.000 2.205 2.070 2.399 . 0 0 "[ . 1]" 1
398 1 66 TRP HA 1 66 TRP HB3 2.900 . 4.000 2.625 2.402 2.689 . 0 0 "[ . 1]" 1
399 1 66 TRP HB3 1 66 TRP HD1 2.900 . 4.000 3.678 3.309 3.797 . 0 0 "[ . 1]" 1
400 1 66 TRP HB3 1 66 TRP HE3 2.650 . 3.500 2.869 2.668 3.451 . 0 0 "[ . 1]" 1
401 1 66 TRP HA 1 66 TRP HB2 2.900 . 4.000 3.011 2.993 3.040 . 0 0 "[ . 1]" 1
402 1 66 TRP H 1 66 TRP HB2 2.400 . 3.000 2.190 2.097 2.605 . 0 0 "[ . 1]" 1
403 1 66 TRP HB2 1 66 TRP HD1 2.900 . 4.000 3.517 3.376 3.829 . 0 0 "[ . 1]" 1
404 1 66 TRP HB2 1 66 TRP HE3 2.650 . 3.500 3.134 2.602 3.357 . 0 0 "[ . 1]" 1
405 1 66 TRP HH2 1 66 TRP HZ3 2.400 . 3.000 2.478 2.476 2.480 . 0 0 "[ . 1]" 1
406 1 70 ARG HA 1 71 ASP H 2.900 . 4.000 2.673 2.208 3.570 . 0 0 "[ . 1]" 1
407 1 71 ASP H 1 71 ASP HB3 2.650 . 3.500 2.994 2.444 3.554 0.054 2 0 "[ . 1]" 1
408 1 71 ASP H 1 71 ASP HB2 2.650 . 3.500 2.534 2.039 3.553 0.053 6 0 "[ . 1]" 1
409 1 71 ASP H 1 72 GLN H 2.400 . 3.000 2.511 2.309 2.681 . 0 0 "[ . 1]" 1
410 1 71 ASP HB3 1 72 GLN H 2.900 . 4.000 2.921 1.984 4.042 0.042 10 0 "[ . 1]" 1
411 1 71 ASP HB2 1 72 GLN H 2.900 . 4.000 3.188 2.185 4.029 0.029 6 0 "[ . 1]" 1
412 1 72 GLN H 1 72 GLN HA 2.650 . 3.500 2.817 2.351 2.998 . 0 0 "[ . 1]" 1
413 1 28 VAL MG1 1 74 TYR QD 3.650 . 5.500 2.821 2.267 3.569 . 0 0 "[ . 1]" 1
414 1 28 VAL MG1 1 74 TYR QE 4.400 . 7.000 2.443 1.751 3.229 0.049 4 0 "[ . 1]" 1
415 1 28 VAL MG2 1 74 TYR QD 4.400 . 7.000 5.134 4.865 5.239 . 0 0 "[ . 1]" 1
416 1 30 THR HA 1 74 TYR HA 2.650 . 3.500 1.976 1.791 2.172 0.009 1 0 "[ . 1]" 1
417 1 30 THR HA 1 74 TYR QD 3.150 . 4.500 2.746 2.252 3.208 . 0 0 "[ . 1]" 1
418 1 30 THR HB 1 74 TYR HA 3.400 . 5.000 4.248 3.570 4.771 . 0 0 "[ . 1]" 1
419 1 30 THR HB 1 74 TYR QD 3.400 . 5.000 4.208 3.097 4.509 . 0 0 "[ . 1]" 1
420 1 30 THR MG 1 74 TYR QD 4.400 . 7.000 2.921 1.814 4.710 . 0 0 "[ . 1]" 1
421 1 30 THR MG 1 74 TYR QE 3.900 . 6.000 2.731 1.992 4.334 . 0 0 "[ . 1]" 1
422 1 63 VAL MG2 1 74 TYR QE 4.400 . 7.000 4.479 3.622 5.173 . 0 0 "[ . 1]" 1
423 1 74 TYR H 1 74 TYR HA 2.900 . 4.000 3.004 3.001 3.007 . 0 0 "[ . 1]" 1
424 1 74 TYR HA 1 74 TYR QD 3.150 . 4.500 2.318 2.075 2.633 . 0 0 "[ . 1]" 1
425 1 74 TYR H 1 74 TYR QB 3.050 . 4.300 2.362 2.264 2.450 . 0 0 "[ . 1]" 1
426 1 74 TYR H 1 74 TYR QD 3.150 . 4.500 3.966 3.600 4.041 . 0 0 "[ . 1]" 1
427 1 74 TYR QB 1 76 VAL MG2 4.300 . 6.800 3.278 3.057 3.416 . 0 0 "[ . 1]" 1
428 1 74 TYR H 1 102 VAL HA 3.900 . 6.000 2.441 2.212 2.601 . 0 0 "[ . 1]" 1
429 1 29 LYS H 1 75 GLU H 2.650 . 3.500 3.593 3.564 3.629 0.129 10 0 "[ . 1]" 1
430 1 30 THR HA 1 75 GLU H 2.650 . 3.500 2.582 2.151 2.774 . 0 0 "[ . 1]" 1
431 1 74 TYR HA 1 75 GLU H 2.400 . 3.000 2.298 2.260 2.368 . 0 0 "[ . 1]" 1
432 1 74 TYR QB 1 75 GLU H 2.800 . 3.800 3.339 3.192 3.433 . 0 0 "[ . 1]" 1
433 1 74 TYR QD 1 75 GLU H 3.150 . 4.500 3.641 3.393 3.863 . 0 0 "[ . 1]" 1
434 1 75 GLU H 1 75 GLU HA 2.650 . 3.500 3.004 3.000 3.006 . 0 0 "[ . 1]" 1
435 1 75 GLU H 1 75 GLU QB 2.800 . 3.800 2.411 2.345 2.467 . 0 0 "[ . 1]" 1
436 1 75 GLU HA 1 75 GLU HG3 2.900 . 4.000 2.976 2.194 3.458 . 0 0 "[ . 1]" 1
437 1 75 GLU HA 1 75 GLU HG2 2.900 . 4.000 2.623 2.146 3.414 . 0 0 "[ . 1]" 1
438 1 75 GLU HA 1 103 THR HB 3.150 . 4.500 3.373 3.253 3.563 . 0 0 "[ . 1]" 1
439 1 75 GLU HA 1 103 THR MG 4.150 . 6.500 4.066 4.024 4.107 . 0 0 "[ . 1]" 1
440 1 63 VAL MG2 1 76 VAL MG2 4.400 . 7.000 4.128 3.972 4.319 . 0 0 "[ . 1]" 1
441 1 75 GLU HA 1 76 VAL H 2.400 . 3.000 2.233 2.195 2.255 . 0 0 "[ . 1]" 1
442 1 76 VAL H 1 76 VAL HB 2.400 . 3.000 2.917 2.803 2.990 . 0 0 "[ . 1]" 1
443 1 76 VAL HA 1 76 VAL MG1 3.400 . 5.000 2.153 2.020 2.200 . 0 0 "[ . 1]" 1
444 1 76 VAL H 1 76 VAL MG1 3.400 . 5.000 3.884 3.841 3.896 . 0 0 "[ . 1]" 1
445 1 76 VAL HA 1 76 VAL MG2 3.400 . 5.000 2.644 2.577 2.696 . 0 0 "[ . 1]" 1
446 1 76 VAL H 1 76 VAL MG2 3.150 . 4.500 2.259 2.180 2.330 . 0 0 "[ . 1]" 1
447 1 76 VAL H 1 102 VAL MG2 3.650 . 5.500 3.454 3.299 3.684 . 0 0 "[ . 1]" 1
448 1 76 VAL MG2 1 102 VAL MG2 4.400 . 7.000 1.947 1.780 2.138 0.020 10 0 "[ . 1]" 1
449 1 76 VAL H 1 104 LEU HA 2.650 . 3.500 3.269 3.164 3.402 . 0 0 "[ . 1]" 1
450 1 76 VAL H 1 104 LEU MD2 3.650 . 5.500 4.031 3.813 4.589 . 0 0 "[ . 1]" 1
451 1 76 VAL MG1 1 104 LEU MD2 3.650 . 5.500 3.428 3.147 3.707 . 0 0 "[ . 1]" 1
452 1 76 VAL MG2 1 104 LEU MD2 4.400 . 7.000 3.230 2.946 4.114 . 0 0 "[ . 1]" 1
453 1 26 TYR HB2 1 77 THR H 3.150 . 4.500 4.482 4.105 4.559 0.059 9 0 "[ . 1]" 1
454 1 28 VAL HA 1 77 THR H 2.900 . 4.000 4.001 3.868 4.064 0.064 1 0 "[ . 1]" 1
455 1 76 VAL HA 1 77 THR H 2.400 . 3.000 2.220 2.187 2.266 . 0 0 "[ . 1]" 1
456 1 76 VAL MG1 1 77 THR H 3.150 . 4.500 2.805 2.556 3.003 . 0 0 "[ . 1]" 1
457 1 77 THR HA 1 77 THR HB 2.900 . 4.000 3.032 3.018 3.044 . 0 0 "[ . 1]" 1
458 1 77 THR H 1 77 THR HB 2.650 . 3.500 2.651 2.544 2.776 . 0 0 "[ . 1]" 1
459 1 77 THR HA 1 77 THR MG 3.150 . 4.500 2.263 2.185 2.378 . 0 0 "[ . 1]" 1
460 1 77 THR H 1 77 THR MG 3.400 . 5.000 3.826 3.791 3.869 . 0 0 "[ . 1]" 1
461 1 77 THR H 1 78 TRP HD1 2.900 . 4.000 3.889 3.543 4.109 0.109 4 0 "[ . 1]" 1
462 1 77 THR HA 1 104 LEU MD2 3.650 . 5.500 4.542 4.215 4.609 . 0 0 "[ . 1]" 1
463 1 77 THR HA 1 105 THR MG 3.650 . 5.500 3.715 3.627 3.855 . 0 0 "[ . 1]" 1
464 1 77 THR MG 1 105 THR MG 4.400 . 7.000 2.799 2.567 2.995 . 0 0 "[ . 1]" 1
465 1 24 LEU HB2 1 78 TRP HA 3.150 . 4.500 4.506 4.352 4.580 0.080 4 0 "[ . 1]" 1
466 1 24 LEU MD1 1 78 TRP HA 4.150 . 6.500 3.033 2.830 3.273 . 0 0 "[ . 1]" 1
467 1 24 LEU MD1 1 78 TRP HB3 3.650 . 5.500 3.155 2.455 3.756 . 0 0 "[ . 1]" 1
468 1 24 LEU MD1 1 78 TRP HB2 4.150 . 6.500 4.367 3.888 4.760 . 0 0 "[ . 1]" 1
469 1 24 LEU MD1 1 78 TRP HD1 3.150 . 4.500 3.740 3.504 3.822 . 0 0 "[ . 1]" 1
470 1 24 LEU MD1 1 78 TRP HE3 3.400 . 5.000 3.861 3.380 4.166 . 0 0 "[ . 1]" 1
471 1 24 LEU MD1 1 78 TRP HZ2 3.650 . 5.500 4.354 3.802 4.658 . 0 0 "[ . 1]" 1
472 1 24 LEU MD1 1 78 TRP HZ3 4.150 . 6.500 4.760 4.509 5.082 . 0 0 "[ . 1]" 1
473 1 26 TYR HB3 1 78 TRP HD1 2.650 . 3.500 2.870 2.336 3.171 . 0 0 "[ . 1]" 1
474 1 26 TYR HB2 1 78 TRP HD1 2.650 . 3.500 2.038 1.923 2.170 . 0 0 "[ . 1]" 1
475 1 59 PHE HB3 1 78 TRP HZ2 2.650 . 3.500 2.822 2.358 3.570 0.070 4 0 "[ . 1]" 1
476 1 59 PHE HB2 1 78 TRP HZ2 2.650 . 3.500 3.579 3.431 3.672 0.172 8 0 "[ . 1]" 1
477 1 60 LEU MD1 1 78 TRP HZ2 4.150 . 6.500 4.545 2.445 5.496 . 0 0 "[ . 1]" 1
478 1 76 VAL MG1 1 78 TRP HD1 2.900 . 4.000 2.768 2.628 2.876 . 0 0 "[ . 1]" 1
479 1 76 VAL MG2 1 78 TRP HD1 4.150 . 6.500 5.298 5.060 5.444 . 0 0 "[ . 1]" 1
480 1 77 THR HA 1 78 TRP H 2.900 . 4.000 2.227 2.208 2.252 . 0 0 "[ . 1]" 1
481 1 77 THR MG 1 78 TRP H 3.150 . 4.500 2.779 2.683 2.836 . 0 0 "[ . 1]" 1
482 1 78 TRP HA 1 78 TRP HD1 2.400 . 3.000 2.151 2.012 2.304 . 0 0 "[ . 1]" 1
483 1 78 TRP HA 1 78 TRP HB3 2.900 . 4.000 2.729 2.647 2.800 . 0 0 "[ . 1]" 1
484 1 78 TRP HB3 1 78 TRP HD1 2.900 . 4.000 3.776 3.751 3.799 . 0 0 "[ . 1]" 1
485 1 78 TRP HB3 1 78 TRP HE3 2.650 . 3.500 2.726 2.683 2.776 . 0 0 "[ . 1]" 1
486 1 78 TRP HA 1 78 TRP HB2 2.900 . 4.000 2.976 2.924 3.010 . 0 0 "[ . 1]" 1
487 1 78 TRP HB2 1 78 TRP HD1 2.900 . 4.000 3.351 3.273 3.428 . 0 0 "[ . 1]" 1
488 1 78 TRP HB2 1 78 TRP HE3 2.650 . 3.500 3.377 3.272 3.473 . 0 0 "[ . 1]" 1
489 1 78 TRP HE3 1 80 ILE MD 2.900 . 4.000 2.458 2.230 2.637 . 0 0 "[ . 1]" 1
490 1 78 TRP HZ3 1 80 ILE MD 3.400 . 5.000 4.007 3.453 4.197 . 0 0 "[ . 1]" 1
491 1 78 TRP HE3 1 92 MET HG3 2.650 . 3.500 3.604 3.518 3.896 0.396 4 0 "[ . 1]" 1
492 1 78 TRP HE3 1 92 MET HG2 2.650 . 3.500 3.395 2.463 3.716 0.216 10 0 "[ . 1]" 1
493 1 78 TRP HH2 1 104 LEU MD1 4.150 . 6.500 5.249 4.817 5.537 . 0 0 "[ . 1]" 1
494 1 78 TRP HD1 1 104 LEU MD2 3.400 . 5.000 4.266 4.161 4.342 . 0 0 "[ . 1]" 1
495 1 78 TRP HE3 1 104 LEU MD2 3.650 . 5.500 3.908 3.540 4.245 . 0 0 "[ . 1]" 1
496 1 78 TRP HZ2 1 104 LEU MD2 4.150 . 6.500 4.535 3.981 5.223 . 0 0 "[ . 1]" 1
497 1 78 TRP H 1 105 THR H 2.650 . 3.500 3.365 3.156 3.504 0.004 1 0 "[ . 1]" 1
498 1 78 TRP H 1 106 ILE HA 2.650 . 3.500 2.904 2.630 3.095 . 0 0 "[ . 1]" 1
499 1 78 TRP HE3 1 106 ILE MD 3.150 . 4.500 3.429 3.146 3.701 . 0 0 "[ . 1]" 1
500 1 78 TRP HZ3 1 106 ILE MD 3.400 . 5.000 4.227 4.181 4.328 . 0 0 "[ . 1]" 1
501 1 78 TRP HB3 1 106 ILE HG13 3.150 . 4.500 3.324 2.331 3.903 . 0 0 "[ . 1]" 1
502 1 78 TRP HB2 1 106 ILE HG13 3.150 . 4.500 2.388 2.025 2.770 . 0 0 "[ . 1]" 1
503 1 78 TRP HE3 1 106 ILE HG12 2.650 . 3.500 2.500 2.262 2.751 . 0 0 "[ . 1]" 1
504 1 78 TRP HB3 1 106 ILE MG 4.150 . 6.500 3.496 2.897 3.917 . 0 0 "[ . 1]" 1
505 1 78 TRP HB2 1 106 ILE MG 3.650 . 5.500 3.875 3.535 4.184 . 0 0 "[ . 1]" 1
506 1 78 TRP H 1 107 PHE QD 3.650 . 5.500 3.751 3.479 4.019 . 0 0 "[ . 1]" 1
507 1 24 LEU MD1 1 79 TYR H 3.400 . 5.000 3.340 3.095 3.521 . 0 0 "[ . 1]" 1
508 1 25 CYS QB 1 79 TYR QD 3.300 . 4.800 2.627 2.360 3.094 . 0 0 "[ . 1]" 1
509 1 26 TYR HA 1 79 TYR H 3.150 . 4.500 2.961 2.858 3.060 . 0 0 "[ . 1]" 1
510 1 26 TYR HB3 1 79 TYR H 2.900 . 4.000 4.049 4.023 4.105 0.105 4 0 "[ . 1]" 1
511 1 77 THR MG 1 79 TYR H 3.650 . 5.500 4.127 3.905 4.256 . 0 0 "[ . 1]" 1
512 1 78 TRP HA 1 79 TYR H 2.900 . 4.000 2.238 2.213 2.276 . 0 0 "[ . 1]" 1
513 1 79 TYR HA 1 79 TYR QD 3.150 . 4.500 2.208 1.871 2.452 . 0 0 "[ . 1]" 1
514 1 79 TYR HA 1 79 TYR HB3 2.900 . 4.000 2.572 2.483 3.012 . 0 0 "[ . 1]" 1
515 1 79 TYR H 1 79 TYR HB3 2.650 . 3.500 3.471 2.564 3.587 0.087 2 0 "[ . 1]" 1
516 1 79 TYR HB3 1 79 TYR QD 3.150 . 4.500 2.648 2.329 2.742 . 0 0 "[ . 1]" 1
517 1 79 TYR H 1 79 TYR HB2 2.650 . 3.500 2.337 2.275 2.475 . 0 0 "[ . 1]" 1
518 1 79 TYR HB2 1 79 TYR QD 2.900 . 4.000 2.351 2.295 2.760 . 0 0 "[ . 1]" 1
519 1 79 TYR H 1 79 TYR QD 3.150 . 4.500 3.171 2.803 4.146 . 0 0 "[ . 1]" 1
520 1 79 TYR QD 1 107 PHE HB3 3.150 . 4.500 2.793 2.232 3.099 . 0 0 "[ . 1]" 1
521 1 79 TYR HA 1 107 PHE HB2 3.150 . 4.500 1.835 1.756 1.943 0.044 8 0 "[ . 1]" 1
522 1 79 TYR QD 1 107 PHE HB2 3.150 . 4.500 2.399 2.125 2.544 . 0 0 "[ . 1]" 1
523 1 79 TYR QD 1 140 GLU HB2 3.150 . 4.500 3.413 3.024 4.036 . 0 0 "[ . 1]" 1
524 1 79 TYR QE 1 140 GLU HB2 3.150 . 4.500 1.962 1.595 4.055 0.205 7 0 "[ . 1]" 1
525 1 79 TYR QE 1 140 GLU HG3 3.400 . 5.000 4.371 4.055 4.518 . 0 0 "[ . 1]" 1
526 1 79 TYR QD 1 140 GLU HG2 3.150 . 4.500 4.126 4.064 4.196 . 0 0 "[ . 1]" 1
527 1 79 TYR QE 1 140 GLU HG2 3.150 . 4.500 3.846 2.586 4.058 . 0 0 "[ . 1]" 1
528 1 79 TYR QE 1 144 CYS HB2 3.650 . 5.500 3.934 3.447 4.912 . 0 0 "[ . 1]" 1
529 1 24 LEU HA 1 80 ILE HA 3.150 . 4.500 2.757 2.606 2.967 . 0 0 "[ . 1]" 1
530 1 24 LEU MD1 1 80 ILE HA 4.150 . 6.500 4.307 3.954 4.535 . 0 0 "[ . 1]" 1
531 1 24 LEU MD1 1 80 ILE MG 4.400 . 7.000 4.611 4.364 4.861 . 0 0 "[ . 1]" 1
532 1 79 TYR HA 1 80 ILE H 2.900 . 4.000 2.267 2.189 2.299 . 0 0 "[ . 1]" 1
533 1 79 TYR HB3 1 80 ILE H 2.900 . 4.000 3.972 3.854 4.212 0.212 9 0 "[ . 1]" 1
534 1 80 ILE HA 1 80 ILE HB 2.900 . 4.000 3.039 3.032 3.045 . 0 0 "[ . 1]" 1
535 1 80 ILE HA 1 80 ILE MD 4.150 . 6.500 3.818 3.677 3.863 . 0 0 "[ . 1]" 1
536 1 80 ILE H 1 80 ILE MD 3.650 . 5.500 3.179 2.727 3.656 . 0 0 "[ . 1]" 1
537 1 80 ILE HA 1 80 ILE HG13 3.400 . 5.000 2.562 2.313 2.744 . 0 0 "[ . 1]" 1
538 1 80 ILE H 1 80 ILE MG 3.400 . 5.000 3.757 3.696 3.810 . 0 0 "[ . 1]" 1
539 1 80 ILE H 1 108 VAL HA 3.150 . 4.500 4.050 3.624 4.310 . 0 0 "[ . 1]" 1
540 1 86 THR HA 1 86 THR HB 2.650 . 3.500 3.044 3.041 3.054 . 0 0 "[ . 1]" 1
541 1 86 THR HA 1 87 LYS H 2.650 . 3.500 3.553 3.521 3.588 0.088 1 0 "[ . 1]" 1
542 1 86 THR HB 1 87 LYS H 2.400 . 3.000 2.346 1.916 2.749 . 0 0 "[ . 1]" 1
543 1 86 THR MG 1 87 LYS H 3.150 . 4.500 3.279 2.700 3.751 . 0 0 "[ . 1]" 1
544 1 87 LYS H 1 87 LYS HA 2.400 . 3.000 2.907 2.889 2.916 . 0 0 "[ . 1]" 1
545 1 87 LYS H 1 87 LYS QB 2.550 . 3.300 2.287 2.099 2.549 . 0 0 "[ . 1]" 1
546 1 87 LYS H 1 87 LYS QE 3.050 . 4.300 3.096 1.893 3.844 . 0 0 "[ . 1]" 1
547 1 87 LYS H 1 87 LYS QG 2.800 . 3.800 2.467 1.940 3.273 . 0 0 "[ . 1]" 1
548 1 87 LYS H 1 88 CYS H 2.150 . 2.500 2.555 2.469 2.645 0.145 6 0 "[ . 1]" 1
549 1 87 LYS HA 1 90 ARG QB 3.050 . 4.300 3.132 2.922 3.346 . 0 0 "[ . 1]" 1
550 1 87 LYS QB 1 88 CYS H 2.800 . 3.800 3.029 2.595 3.584 . 0 0 "[ . 1]" 1
551 1 88 CYS H 1 88 CYS HA 2.650 . 3.500 2.887 2.839 2.933 . 0 0 "[ . 1]" 1
552 1 88 CYS HA 1 88 CYS HB3 2.650 . 3.500 2.836 2.542 3.021 . 0 0 "[ . 1]" 1
553 1 88 CYS H 1 88 CYS HB3 2.400 . 3.000 2.794 1.913 3.440 0.440 7 0 "[ . 1]" 1
554 1 88 CYS HA 1 88 CYS HB2 2.650 . 3.500 2.694 2.266 3.023 . 0 0 "[ . 1]" 1
555 1 88 CYS H 1 88 CYS HB2 2.400 . 3.000 2.271 1.920 2.922 . 0 0 "[ . 1]" 1
556 1 88 CYS H 1 89 ALA H 2.400 . 3.000 2.519 2.347 2.744 . 0 0 "[ . 1]" 1
557 1 88 CYS HA 1 91 ASP HB3 2.650 . 3.500 2.741 2.109 3.386 . 0 0 "[ . 1]" 1
558 1 88 CYS HA 1 91 ASP HB2 3.150 . 4.500 2.891 2.528 3.681 . 0 0 "[ . 1]" 1
559 1 86 THR HA 1 89 ALA H 2.900 . 4.000 3.714 3.363 3.906 . 0 0 "[ . 1]" 1
560 1 86 THR HA 1 89 ALA MB 4.150 . 6.500 2.859 2.566 3.127 . 0 0 "[ . 1]" 1
561 1 88 CYS HB3 1 89 ALA H 2.650 . 3.500 3.035 2.308 3.479 . 0 0 "[ . 1]" 1
562 1 88 CYS HB2 1 89 ALA H 2.650 . 3.500 3.341 2.526 3.901 0.401 8 0 "[ . 1]" 1
563 1 89 ALA H 1 89 ALA HA 2.650 . 3.500 2.876 2.837 2.910 . 0 0 "[ . 1]" 1
564 1 89 ALA H 1 89 ALA MB 2.900 . 4.000 2.091 1.950 2.158 . 0 0 "[ . 1]" 1
565 1 89 ALA MB 1 122 ALA MB 4.400 . 7.000 3.902 3.063 4.858 . 0 0 "[ . 1]" 1
566 1 89 ALA MB 1 123 LEU MD1 4.400 . 7.000 3.649 2.774 4.240 . 0 0 "[ . 1]" 1
567 1 89 ALA HA 1 123 LEU MD2 3.150 . 4.500 3.705 3.026 3.820 . 0 0 "[ . 1]" 1
568 1 86 THR MG 1 90 ARG QD 4.300 . 6.800 3.554 2.847 3.920 . 0 0 "[ . 1]" 1
569 1 87 LYS HA 1 90 ARG H 2.400 . 3.000 3.144 3.109 3.177 0.177 2 0 "[ . 1]" 1
570 1 89 ALA H 1 90 ARG H 2.400 . 3.000 2.688 2.567 2.842 . 0 0 "[ . 1]" 1
571 1 89 ALA MB 1 90 ARG H 2.900 . 4.000 2.586 2.476 2.752 . 0 0 "[ . 1]" 1
572 1 90 ARG H 1 90 ARG HA 2.400 . 3.000 2.922 2.907 2.939 . 0 0 "[ . 1]" 1
573 1 90 ARG H 1 90 ARG QB 2.800 . 3.800 2.683 2.650 2.723 . 0 0 "[ . 1]" 1
574 1 90 ARG H 1 90 ARG HG3 2.150 . 2.500 1.979 1.789 2.204 0.011 1 0 "[ . 1]" 1
575 1 90 ARG HA 1 90 ARG HG2 2.400 . 3.000 2.675 2.648 2.717 . 0 0 "[ . 1]" 1
576 1 90 ARG H 1 90 ARG HG2 2.400 . 3.000 2.464 2.174 2.765 . 0 0 "[ . 1]" 1
577 1 90 ARG H 1 91 ASP H 2.150 . 2.500 2.533 2.471 2.575 0.075 7 0 "[ . 1]" 1
578 1 90 ARG HA 1 93 ALA MB 2.900 . 4.000 3.118 2.367 3.361 . 0 0 "[ . 1]" 1
579 1 90 ARG HA 1 91 ASP H 2.650 . 3.500 3.540 3.532 3.547 0.047 6 0 "[ . 1]" 1
580 1 90 ARG QB 1 91 ASP H 3.050 . 4.300 2.455 2.352 2.552 . 0 0 "[ . 1]" 1
581 1 90 ARG HG3 1 91 ASP H 2.650 . 3.500 3.625 3.608 3.647 0.147 3 0 "[ . 1]" 1
582 1 91 ASP H 1 91 ASP HA 2.650 . 3.500 2.872 2.826 2.907 . 0 0 "[ . 1]" 1
583 1 91 ASP HA 1 91 ASP HB3 2.650 . 3.500 2.998 2.926 3.039 . 0 0 "[ . 1]" 1
584 1 91 ASP H 1 91 ASP HB3 2.400 . 3.000 2.768 2.260 3.059 0.059 2 0 "[ . 1]" 1
585 1 91 ASP HA 1 91 ASP HB2 2.650 . 3.500 2.634 2.407 2.803 . 0 0 "[ . 1]" 1
586 1 91 ASP H 1 91 ASP HB2 2.650 . 3.500 2.193 1.993 2.658 . 0 0 "[ . 1]" 1
587 1 89 ALA HA 1 92 MET H 2.650 . 3.500 3.370 3.114 3.559 0.059 3 0 "[ . 1]" 1
588 1 91 ASP H 1 92 MET H 2.400 . 3.000 2.667 2.537 2.848 . 0 0 "[ . 1]" 1
589 1 91 ASP HB3 1 92 MET H 2.650 . 3.500 2.858 2.666 3.134 . 0 0 "[ . 1]" 1
590 1 92 MET H 1 92 MET HA 2.650 . 3.500 2.867 2.827 2.898 . 0 0 "[ . 1]" 1
591 1 92 MET H 1 92 MET HB3 2.900 . 4.000 3.080 1.975 3.281 . 0 0 "[ . 1]" 1
592 1 92 MET H 1 92 MET HB2 3.150 . 4.500 2.023 1.921 2.782 . 0 0 "[ . 1]" 1
593 1 92 MET H 1 92 MET HG3 2.650 . 3.500 3.567 3.321 3.955 0.455 4 0 "[ . 1]" 1
594 1 90 ARG HA 1 93 ALA H 2.650 . 3.500 3.575 3.502 3.647 0.147 2 0 "[ . 1]" 1
595 1 92 MET H 1 93 ALA H 2.400 . 3.000 2.740 2.424 2.832 . 0 0 "[ . 1]" 1
596 1 92 MET HB3 1 93 ALA H 2.150 . 2.500 2.581 2.537 2.628 0.128 4 0 "[ . 1]" 1
597 1 93 ALA H 1 93 ALA HA 2.400 . 3.000 2.856 2.833 2.873 . 0 0 "[ . 1]" 1
598 1 93 ALA H 1 93 ALA MB 2.900 . 4.000 2.093 1.965 2.164 . 0 0 "[ . 1]" 1
599 1 93 ALA H 1 94 THR H 2.400 . 3.000 2.671 2.602 2.750 . 0 0 "[ . 1]" 1
600 1 93 ALA HA 1 96 LEU HB3 2.650 . 3.500 2.786 2.589 2.956 . 0 0 "[ . 1]" 1
601 1 93 ALA HA 1 96 LEU HB2 2.400 . 3.000 3.061 3.028 3.099 0.099 2 0 "[ . 1]" 1
602 1 93 ALA HA 1 129 ALA MB 3.650 . 5.500 3.410 2.613 4.587 . 0 0 "[ . 1]" 1
603 1 93 ALA MB 1 129 ALA MB 4.400 . 7.000 3.214 2.461 4.163 . 0 0 "[ . 1]" 1
604 1 91 ASP HA 1 94 THR H 2.650 . 3.500 3.266 3.089 3.501 0.001 6 0 "[ . 1]" 1
605 1 93 ALA MB 1 94 THR H 2.650 . 3.500 2.711 2.575 2.829 . 0 0 "[ . 1]" 1
606 1 94 THR HA 1 94 THR HB 2.650 . 3.500 2.926 2.845 3.004 . 0 0 "[ . 1]" 1
607 1 94 THR H 1 94 THR HA 2.400 . 3.000 2.874 2.842 2.898 . 0 0 "[ . 1]" 1
608 1 94 THR H 1 94 THR HB 2.400 . 3.000 2.060 1.964 2.809 . 0 0 "[ . 1]" 1
609 1 94 THR HA 1 94 THR MG 2.900 . 4.000 2.797 2.163 2.990 . 0 0 "[ . 1]" 1
610 1 94 THR H 1 94 THR MG 2.900 . 4.000 3.364 3.186 3.555 . 0 0 "[ . 1]" 1
611 1 94 THR HA 1 97 GLN QB 2.800 . 3.800 2.815 2.385 3.442 . 0 0 "[ . 1]" 1
612 1 94 THR HA 1 97 GLN QG 3.050 . 4.300 3.158 1.880 3.852 . 0 0 "[ . 1]" 1
613 1 57 MET HA 1 95 PHE QD 3.150 . 4.500 4.082 3.976 4.170 . 0 0 "[ . 1]" 1
614 1 60 LEU HG 1 95 PHE QD 3.400 . 5.000 3.720 2.299 4.515 . 0 0 "[ . 1]" 1
615 1 60 LEU HG 1 95 PHE QE 4.150 . 6.500 3.941 1.829 5.076 . 0 0 "[ . 1]" 1
616 1 60 LEU MD1 1 95 PHE HA 4.150 . 6.500 3.654 2.406 5.717 . 0 0 "[ . 1]" 1
617 1 60 LEU MD1 1 95 PHE HB3 4.150 . 6.500 3.235 2.208 4.080 . 0 0 "[ . 1]" 1
618 1 60 LEU MD1 1 95 PHE HB2 3.650 . 5.500 2.281 1.702 3.800 0.098 6 0 "[ . 1]" 1
619 1 60 LEU MD1 1 95 PHE QD 3.900 . 6.000 2.137 1.635 3.914 0.165 2 0 "[ . 1]" 1
620 1 60 LEU MD1 1 95 PHE QE 4.400 . 7.000 3.467 2.771 4.562 . 0 0 "[ . 1]" 1
621 1 60 LEU MD2 1 95 PHE HB3 4.150 . 6.500 3.910 2.465 5.144 . 0 0 "[ . 1]" 1
622 1 60 LEU MD2 1 95 PHE HB2 4.150 . 6.500 3.376 2.374 3.976 . 0 0 "[ . 1]" 1
623 1 60 LEU MD2 1 95 PHE QD 3.400 . 5.000 2.372 1.712 2.855 0.088 3 0 "[ . 1]" 1
624 1 63 VAL MG1 1 95 PHE HZ 3.400 . 5.000 3.883 3.336 4.206 . 0 0 "[ . 1]" 1
625 1 63 VAL MG1 1 95 PHE QE 3.900 . 6.000 4.052 3.563 4.459 . 0 0 "[ . 1]" 1
626 1 63 VAL MG2 1 95 PHE HZ 3.150 . 4.500 3.716 3.447 3.812 . 0 0 "[ . 1]" 1
627 1 63 VAL MG2 1 95 PHE QE 3.650 . 5.500 3.727 2.609 4.093 . 0 0 "[ . 1]" 1
628 1 76 VAL MG2 1 95 PHE HZ 3.650 . 5.500 3.716 2.625 4.484 . 0 0 "[ . 1]" 1
629 1 92 MET HA 1 95 PHE H 2.400 . 3.000 3.277 3.122 3.408 0.408 8 0 "[ . 1]" 1
630 1 94 THR MG 1 95 PHE H 3.150 . 4.500 2.618 2.201 3.803 . 0 0 "[ . 1]" 1
631 1 95 PHE H 1 95 PHE HA 2.400 . 3.000 2.916 2.879 2.946 . 0 0 "[ . 1]" 1
632 1 95 PHE HA 1 95 PHE QD 2.900 . 4.000 2.858 2.682 3.001 . 0 0 "[ . 1]" 1
633 1 95 PHE H 1 95 PHE HB3 2.650 . 3.500 2.241 2.156 2.384 . 0 0 "[ . 1]" 1
634 1 95 PHE HB3 1 95 PHE QD 2.900 . 4.000 2.395 2.358 2.438 . 0 0 "[ . 1]" 1
635 1 95 PHE H 1 95 PHE HB2 2.400 . 3.000 2.868 2.790 2.937 . 0 0 "[ . 1]" 1
636 1 95 PHE HB2 1 95 PHE QD 2.650 . 3.500 2.460 2.423 2.530 . 0 0 "[ . 1]" 1
637 1 95 PHE QE 1 96 LEU HA 3.150 . 4.500 3.720 3.439 4.016 . 0 0 "[ . 1]" 1
638 1 95 PHE QD 1 96 LEU HG 3.150 . 4.500 3.864 3.691 4.050 . 0 0 "[ . 1]" 1
639 1 95 PHE QE 1 96 LEU HG 3.400 . 5.000 4.203 3.908 4.463 . 0 0 "[ . 1]" 1
640 1 95 PHE H 1 96 LEU H 2.650 . 3.500 2.594 2.439 2.706 . 0 0 "[ . 1]" 1
641 1 95 PHE HA 1 98 GLU QB 3.050 . 4.300 3.730 3.616 3.840 . 0 0 "[ . 1]" 1
642 1 95 PHE HZ 1 102 VAL HB 2.900 . 4.000 3.981 3.857 4.046 0.046 4 0 "[ . 1]" 1
643 1 95 PHE QE 1 102 VAL HB 3.400 . 5.000 4.259 3.728 4.498 . 0 0 "[ . 1]" 1
644 1 95 PHE HZ 1 102 VAL MG1 3.150 . 4.500 2.937 2.487 3.062 . 0 0 "[ . 1]" 1
645 1 95 PHE QD 1 102 VAL MG1 3.900 . 6.000 3.629 3.240 3.933 . 0 0 "[ . 1]" 1
646 1 95 PHE QE 1 102 VAL MG1 3.650 . 5.500 2.388 1.815 2.837 . 0 0 "[ . 1]" 1
647 1 95 PHE HZ 1 102 VAL MG2 3.150 . 4.500 2.677 2.063 3.565 . 0 0 "[ . 1]" 1
648 1 95 PHE QD 1 102 VAL MG2 3.900 . 6.000 4.473 4.455 4.505 . 0 0 "[ . 1]" 1
649 1 95 PHE QE 1 102 VAL MG2 3.650 . 5.500 2.533 2.409 2.651 . 0 0 "[ . 1]" 1
650 1 95 PHE QD 1 104 LEU MD1 4.400 . 7.000 2.649 1.996 3.178 . 0 0 "[ . 1]" 1
651 1 93 ALA HA 1 96 LEU H 2.900 . 4.000 3.490 3.435 3.587 . 0 0 "[ . 1]" 1
652 1 95 PHE HA 1 96 LEU H 2.900 . 4.000 3.555 3.532 3.570 . 0 0 "[ . 1]" 1
653 1 95 PHE HB3 1 96 LEU H 2.900 . 4.000 2.600 2.446 2.720 . 0 0 "[ . 1]" 1
654 1 95 PHE HB2 1 96 LEU H 2.900 . 4.000 3.970 3.871 4.038 0.038 1 0 "[ . 1]" 1
655 1 95 PHE QD 1 96 LEU H 3.150 . 4.500 2.815 2.601 3.089 . 0 0 "[ . 1]" 1
656 1 96 LEU HA 1 96 LEU HG 3.400 . 5.000 2.688 2.551 3.060 . 0 0 "[ . 1]" 1
657 1 96 LEU H 1 96 LEU HB3 2.650 . 3.500 2.802 2.705 2.862 . 0 0 "[ . 1]" 1
658 1 96 LEU HB2 1 104 LEU MD1 3.150 . 4.500 1.759 1.704 1.817 0.096 6 0 "[ . 1]" 1
659 1 96 LEU MD1 1 104 LEU MD1 3.650 . 5.500 2.236 1.943 2.610 . 0 0 "[ . 1]" 1
660 1 96 LEU MD2 1 104 LEU MD1 3.650 . 5.500 3.520 3.269 3.820 . 0 0 "[ . 1]" 1
661 1 96 LEU HB2 1 104 LEU MD2 3.400 . 5.000 4.335 4.280 4.371 . 0 0 "[ . 1]" 1
662 1 96 LEU MD1 1 104 LEU MD2 4.400 . 7.000 4.151 3.930 4.447 . 0 0 "[ . 1]" 1
663 1 94 THR HA 1 97 GLN H 2.650 . 3.500 3.507 3.392 3.578 0.078 6 0 "[ . 1]" 1
664 1 96 LEU H 1 97 GLN H 2.400 . 3.000 2.709 2.607 2.805 . 0 0 "[ . 1]" 1
665 1 96 LEU HB3 1 97 GLN H 2.400 . 3.000 2.694 2.481 2.768 . 0 0 "[ . 1]" 1
666 1 96 LEU MD2 1 97 GLN H 3.150 . 4.500 3.796 3.775 3.806 . 0 0 "[ . 1]" 1
667 1 97 GLN H 1 97 GLN HA 2.400 . 3.000 2.912 2.903 2.917 . 0 0 "[ . 1]" 1
668 1 97 GLN H 1 97 GLN QB 2.550 . 3.300 2.172 2.069 2.307 . 0 0 "[ . 1]" 1
669 1 97 GLN HA 1 97 GLN QG 3.050 . 4.300 2.634 2.101 3.302 . 0 0 "[ . 1]" 1
670 1 97 GLN H 1 97 GLN QG 2.800 . 3.800 2.581 2.308 2.864 . 0 0 "[ . 1]" 1
671 1 97 GLN H 1 98 GLU H 2.150 . 2.500 2.552 2.537 2.570 0.070 4 0 "[ . 1]" 1
672 1 95 PHE HA 1 98 GLU H 2.650 . 3.500 3.521 3.466 3.562 0.062 3 0 "[ . 1]" 1
673 1 98 GLU H 1 98 GLU HA 2.650 . 3.500 2.949 2.930 2.979 . 0 0 "[ . 1]" 1
674 1 98 GLU H 1 98 GLU QB 2.550 . 3.300 2.484 2.404 2.531 . 0 0 "[ . 1]" 1
675 1 98 GLU H 1 98 GLU HG3 2.400 . 3.000 2.794 2.345 3.065 0.065 10 0 "[ . 1]" 1
676 1 98 GLU H 1 98 GLU HG2 2.400 . 3.000 2.368 1.989 2.954 . 0 0 "[ . 1]" 1
677 1 96 LEU HA 1 99 ASN H 2.650 . 3.500 3.589 3.547 3.637 0.137 2 0 "[ . 1]" 1
678 1 98 GLU HG3 1 99 ASN H 2.650 . 3.500 2.272 1.897 2.668 . 0 0 "[ . 1]" 1
679 1 98 GLU HG2 1 99 ASN H 2.650 . 3.500 3.171 2.834 3.583 0.083 2 0 "[ . 1]" 1
680 1 99 ASN H 1 99 ASN HA 2.650 . 3.500 2.961 2.933 2.973 . 0 0 "[ . 1]" 1
681 1 99 ASN HA 1 99 ASN HB3 2.900 . 4.000 2.975 2.862 3.024 . 0 0 "[ . 1]" 1
682 1 99 ASN H 1 99 ASN HB3 2.400 . 3.000 2.800 2.601 3.123 0.123 8 0 "[ . 1]" 1
683 1 99 ASN HA 1 99 ASN HB2 2.650 . 3.500 2.684 2.588 2.859 . 0 0 "[ . 1]" 1
684 1 99 ASN H 1 99 ASN HB2 2.150 . 2.500 2.274 2.041 2.450 . 0 0 "[ . 1]" 1
685 1 99 ASN H 1 100 THR H 2.150 . 2.500 2.400 2.326 2.513 0.013 6 0 "[ . 1]" 1
686 1 99 ASN HB3 1 100 THR H 2.650 . 3.500 2.466 2.243 2.630 . 0 0 "[ . 1]" 1
687 1 99 ASN HB2 1 100 THR H 2.650 . 3.500 3.390 2.965 3.581 0.081 2 0 "[ . 1]" 1
688 1 100 THR HA 1 100 THR HB 2.650 . 3.500 2.422 2.325 2.749 . 0 0 "[ . 1]" 1
689 1 100 THR H 1 100 THR HA 2.150 . 2.500 2.331 2.316 2.369 . 0 0 "[ . 1]" 1
690 1 100 THR HA 1 100 THR MG 2.900 . 4.000 2.538 2.123 3.223 . 0 0 "[ . 1]" 1
691 1 100 THR H 1 100 THR MG 2.650 . 3.500 2.646 2.484 2.956 . 0 0 "[ . 1]" 1
692 1 74 TYR QB 1 102 VAL HA 4.050 . 6.300 3.139 2.760 3.328 . 0 0 "[ . 1]" 1
693 1 74 TYR QB 1 102 VAL MG1 4.300 . 6.800 4.513 4.169 4.728 . 0 0 "[ . 1]" 1
694 1 74 TYR QB 1 102 VAL MG2 4.300 . 6.800 2.207 1.870 2.478 . 0 0 "[ . 1]" 1
695 1 76 VAL MG2 1 102 VAL MG1 4.400 . 7.000 3.630 3.453 3.998 . 0 0 "[ . 1]" 1
696 1 96 LEU MD2 1 102 VAL H 3.150 . 4.500 3.556 3.333 3.711 . 0 0 "[ . 1]" 1
697 1 100 THR HA 1 102 VAL H 2.650 . 3.500 3.517 3.111 3.799 0.299 10 0 "[ . 1]" 1
698 1 102 VAL H 1 102 VAL HB 2.400 . 3.000 2.791 2.671 2.932 . 0 0 "[ . 1]" 1
699 1 102 VAL H 1 102 VAL MG1 2.900 . 4.000 1.957 1.814 2.086 . 0 0 "[ . 1]" 1
700 1 74 TYR H 1 103 THR H 2.900 . 4.000 3.953 3.801 4.048 0.048 3 0 "[ . 1]" 1
701 1 74 TYR QB 1 103 THR H 3.550 . 5.300 3.992 3.779 4.119 . 0 0 "[ . 1]" 1
702 1 75 GLU HA 1 103 THR H 2.650 . 3.500 2.379 2.303 2.462 . 0 0 "[ . 1]" 1
703 1 75 GLU QB 1 103 THR H 3.300 . 4.800 4.160 3.948 4.297 . 0 0 "[ . 1]" 1
704 1 75 GLU HG3 1 103 THR HB 2.650 . 3.500 3.176 2.429 3.532 0.032 9 0 "[ . 1]" 1
705 1 76 VAL H 1 103 THR H 2.650 . 3.500 3.535 3.509 3.570 0.070 1 0 "[ . 1]" 1
706 1 102 VAL HA 1 103 THR H 2.400 . 3.000 2.294 2.273 2.313 . 0 0 "[ . 1]" 1
707 1 102 VAL MG1 1 103 THR H 3.400 . 5.000 3.667 3.517 3.824 . 0 0 "[ . 1]" 1
708 1 102 VAL MG2 1 103 THR H 3.150 . 4.500 2.277 2.025 2.480 . 0 0 "[ . 1]" 1
709 1 103 THR H 1 103 THR HB 2.650 . 3.500 3.478 3.453 3.499 . 0 0 "[ . 1]" 1
710 1 103 THR H 1 103 THR MG 3.150 . 4.500 3.264 3.198 3.320 . 0 0 "[ . 1]" 1
711 1 76 VAL HB 1 104 LEU HA 2.900 . 4.000 3.046 2.833 3.246 . 0 0 "[ . 1]" 1
712 1 76 VAL HB 1 104 LEU MD2 3.400 . 5.000 2.345 2.094 3.036 . 0 0 "[ . 1]" 1
713 1 76 VAL MG1 1 104 LEU HA 4.150 . 6.500 4.588 4.379 4.769 . 0 0 "[ . 1]" 1
714 1 76 VAL MG2 1 104 LEU HA 4.150 . 6.500 3.598 3.467 3.781 . 0 0 "[ . 1]" 1
715 1 76 VAL MG2 1 104 LEU MD1 4.400 . 7.000 4.886 4.876 4.899 . 0 0 "[ . 1]" 1
716 1 96 LEU HB3 1 104 LEU MD1 4.150 . 6.500 3.163 3.034 3.297 . 0 0 "[ . 1]" 1
717 1 96 LEU MD2 1 104 LEU MD2 4.400 . 7.000 4.898 4.893 4.909 . 0 0 "[ . 1]" 1
718 1 103 THR HA 1 104 LEU H 2.400 . 3.000 2.291 2.264 2.332 . 0 0 "[ . 1]" 1
719 1 103 THR HB 1 104 LEU H 2.400 . 3.000 3.080 3.011 3.107 0.107 3 0 "[ . 1]" 1
720 1 103 THR MG 1 104 LEU H 2.900 . 4.000 3.319 3.249 3.353 . 0 0 "[ . 1]" 1
721 1 104 LEU H 1 104 LEU HA 2.650 . 3.500 2.991 2.989 2.996 . 0 0 "[ . 1]" 1
722 1 104 LEU HA 1 104 LEU HG 2.900 . 4.000 2.677 2.355 2.826 . 0 0 "[ . 1]" 1
723 1 104 LEU H 1 104 LEU HB3 2.400 . 3.000 3.249 3.050 3.352 0.352 10 0 "[ . 1]" 1
724 1 104 LEU HA 1 104 LEU HB2 2.900 . 4.000 2.919 2.808 2.966 . 0 0 "[ . 1]" 1
725 1 104 LEU H 1 104 LEU HB2 2.400 . 3.000 2.138 2.087 2.309 . 0 0 "[ . 1]" 1
726 1 104 LEU HA 1 104 LEU MD1 3.650 . 5.500 3.697 3.678 3.722 . 0 0 "[ . 1]" 1
727 1 104 LEU H 1 104 LEU MD1 3.400 . 5.000 4.154 4.056 4.237 . 0 0 "[ . 1]" 1
728 1 104 LEU HB3 1 104 LEU MD1 3.150 . 4.500 2.202 2.065 2.293 . 0 0 "[ . 1]" 1
729 1 104 LEU HA 1 104 LEU MD2 3.150 . 4.500 1.961 1.835 2.289 . 0 0 "[ . 1]" 1
730 1 104 LEU H 1 104 LEU MD2 3.400 . 5.000 4.125 4.042 4.203 . 0 0 "[ . 1]" 1
731 1 104 LEU HB3 1 104 LEU MD2 3.400 . 5.000 2.385 2.292 2.495 . 0 0 "[ . 1]" 1
732 1 104 LEU MD1 1 106 ILE MD 4.400 . 6.000 2.337 2.176 2.509 . 0 0 "[ . 1]" 1
733 1 104 LEU MD2 1 131 ALA MB 4.400 . 7.000 3.644 3.303 3.859 . 0 0 "[ . 1]" 1
734 1 76 VAL H 1 105 THR H 2.900 . 4.000 4.043 4.012 4.089 0.089 5 0 "[ . 1]" 1
735 1 77 THR HA 1 105 THR HB 2.650 . 3.500 2.010 1.864 2.174 . 0 0 "[ . 1]" 1
736 1 77 THR HA 1 105 THR H 2.650 . 3.500 2.731 2.575 2.847 . 0 0 "[ . 1]" 1
737 1 77 THR MG 1 105 THR HB 3.650 . 5.500 1.885 1.780 2.070 0.020 2 0 "[ . 1]" 1
738 1 77 THR MG 1 105 THR H 3.650 . 5.500 4.299 4.191 4.433 . 0 0 "[ . 1]" 1
739 1 104 LEU HA 1 105 THR H 2.650 . 3.500 2.256 2.237 2.285 . 0 0 "[ . 1]" 1
740 1 104 LEU MD1 1 105 THR H 4.150 . 6.500 4.794 4.693 4.897 . 0 0 "[ . 1]" 1
741 1 104 LEU MD2 1 105 THR H 3.150 . 4.500 2.750 2.266 2.953 . 0 0 "[ . 1]" 1
742 1 105 THR H 1 105 THR HA 2.900 . 4.000 3.003 3.001 3.008 . 0 0 "[ . 1]" 1
743 1 105 THR H 1 105 THR HB 2.650 . 3.500 3.082 2.969 3.174 . 0 0 "[ . 1]" 1
744 1 105 THR HA 1 105 THR MG 2.900 . 4.000 1.968 1.922 2.013 . 0 0 "[ . 1]" 1
745 1 105 THR H 1 105 THR MG 3.650 . 5.500 3.848 3.800 3.887 . 0 0 "[ . 1]" 1
746 1 105 THR MG 1 107 PHE QE 4.400 . 7.000 1.844 1.767 1.990 0.033 2 0 "[ . 1]" 1
747 1 105 THR HA 1 132 THR HB 2.650 . 3.500 1.868 1.818 1.941 . 0 0 "[ . 1]" 1
748 1 105 THR HA 1 132 THR MG 3.650 . 5.500 3.397 3.241 3.539 . 0 0 "[ . 1]" 1
749 1 78 TRP HB3 1 106 ILE HA 3.150 . 4.500 2.793 2.423 3.079 . 0 0 "[ . 1]" 1
750 1 78 TRP HB2 1 106 ILE HA 2.900 . 4.000 2.248 2.038 2.441 . 0 0 "[ . 1]" 1
751 1 104 LEU MD2 1 106 ILE H 3.650 . 5.500 3.994 3.112 4.380 . 0 0 "[ . 1]" 1
752 1 104 LEU MD2 1 106 ILE MD 4.400 . 7.000 2.716 2.234 2.996 . 0 0 "[ . 1]" 1
753 1 105 THR HA 1 106 ILE H 2.400 . 3.000 2.403 2.390 2.429 . 0 0 "[ . 1]" 1
754 1 106 ILE H 1 106 ILE HA 2.650 . 3.500 2.928 2.909 2.939 . 0 0 "[ . 1]" 1
755 1 106 ILE HA 1 106 ILE HB 2.650 . 3.500 3.018 3.001 3.028 . 0 0 "[ . 1]" 1
756 1 106 ILE H 1 106 ILE HB 2.400 . 3.000 2.191 2.115 2.294 . 0 0 "[ . 1]" 1
757 1 106 ILE HA 1 106 ILE MD 3.400 . 5.000 3.708 3.427 3.812 . 0 0 "[ . 1]" 1
758 1 106 ILE H 1 106 ILE MD 2.650 . 3.500 2.862 2.588 2.935 . 0 0 "[ . 1]" 1
759 1 106 ILE HA 1 106 ILE HG13 3.400 . 5.000 2.340 2.067 2.551 . 0 0 "[ . 1]" 1
760 1 106 ILE HA 1 106 ILE HG12 3.400 . 5.000 2.873 2.798 3.149 . 0 0 "[ . 1]" 1
761 1 106 ILE H 1 106 ILE MG 3.150 . 4.500 3.657 3.598 3.708 . 0 0 "[ . 1]" 1
762 1 106 ILE H 1 132 THR HB 2.650 . 3.500 3.581 3.551 3.613 0.113 6 0 "[ . 1]" 1
763 1 106 ILE H 1 133 ILE HA 2.650 . 3.500 3.527 3.501 3.557 0.057 2 0 "[ . 1]" 1
764 1 106 ILE H 1 133 ILE MD 3.150 . 4.500 3.757 3.652 3.788 . 0 0 "[ . 1]" 1
765 1 106 ILE H 1 133 ILE HG13 2.900 . 4.000 3.416 3.198 3.634 . 0 0 "[ . 1]" 1
766 1 106 ILE MD 1 133 ILE MG 3.900 . 6.000 4.164 4.060 4.204 . 0 0 "[ . 1]" 1
767 1 77 THR MG 1 107 PHE HZ 3.400 . 5.000 4.219 4.201 4.245 . 0 0 "[ . 1]" 1
768 1 77 THR MG 1 107 PHE QD 3.650 . 5.500 3.539 3.217 3.683 . 0 0 "[ . 1]" 1
769 1 79 TYR HA 1 107 PHE H 2.900 . 4.000 3.257 3.050 3.539 . 0 0 "[ . 1]" 1
770 1 79 TYR HA 1 107 PHE QD 3.400 . 5.000 3.788 3.367 4.031 . 0 0 "[ . 1]" 1
771 1 79 TYR QE 1 107 PHE QD 3.650 . 5.500 3.218 2.423 3.693 . 0 0 "[ . 1]" 1
772 1 79 TYR QE 1 107 PHE QE 4.400 . 7.000 3.342 2.998 4.447 . 0 0 "[ . 1]" 1
773 1 105 THR MG 1 107 PHE HZ 3.150 . 4.500 3.436 3.176 3.755 . 0 0 "[ . 1]" 1
774 1 106 ILE HA 1 107 PHE H 2.900 . 4.000 2.250 2.169 2.323 . 0 0 "[ . 1]" 1
775 1 106 ILE MG 1 107 PHE H 3.400 . 5.000 2.380 2.087 2.775 . 0 0 "[ . 1]" 1
776 1 107 PHE HA 1 107 PHE QD 3.150 . 4.500 2.793 2.609 3.022 . 0 0 "[ . 1]" 1
777 1 107 PHE H 1 107 PHE HB3 2.900 . 4.000 3.548 3.480 3.643 . 0 0 "[ . 1]" 1
778 1 107 PHE HB3 1 107 PHE QD 3.150 . 4.500 2.307 2.299 2.313 . 0 0 "[ . 1]" 1
779 1 107 PHE H 1 107 PHE HB2 2.650 . 3.500 2.344 2.246 2.460 . 0 0 "[ . 1]" 1
780 1 107 PHE HB2 1 107 PHE QD 2.900 . 4.000 2.660 2.553 2.740 . 0 0 "[ . 1]" 1
781 1 107 PHE H 1 107 PHE QD 3.150 . 4.500 2.987 2.919 3.064 . 0 0 "[ . 1]" 1
782 1 107 PHE H 1 107 PHE QE 4.150 . 6.500 5.280 5.218 5.367 . 0 0 "[ . 1]" 1
783 1 107 PHE HZ 1 134 LYS HD3 2.650 . 3.500 2.541 1.989 3.599 0.099 5 0 "[ . 1]" 1
784 1 107 PHE QD 1 134 LYS HD3 3.650 . 5.500 4.415 4.072 4.906 . 0 0 "[ . 1]" 1
785 1 107 PHE QE 1 134 LYS HD3 2.900 . 4.000 2.898 2.179 3.610 . 0 0 "[ . 1]" 1
786 1 107 PHE HZ 1 134 LYS HD2 2.650 . 3.500 2.949 1.881 3.524 0.024 9 0 "[ . 1]" 1
787 1 107 PHE QE 1 134 LYS HD2 2.900 . 4.000 3.317 2.575 3.617 . 0 0 "[ . 1]" 1
788 1 107 PHE QE 1 134 LYS QE 3.300 . 4.800 3.815 3.773 3.831 . 0 0 "[ . 1]" 1
789 1 107 PHE HZ 1 134 LYS HG2 2.650 . 3.500 3.489 3.295 3.598 0.098 2 0 "[ . 1]" 1
790 1 107 PHE QD 1 134 LYS HG2 3.150 . 4.500 3.438 3.251 3.865 . 0 0 "[ . 1]" 1
791 1 107 PHE QD 1 136 MET HA 3.150 . 4.500 1.712 1.617 1.781 0.183 6 0 "[ . 1]" 1
792 1 107 PHE QE 1 136 MET HA 3.150 . 4.500 3.059 2.748 3.272 . 0 0 "[ . 1]" 1
793 1 107 PHE QE 1 137 ASN HB2 3.150 . 4.500 2.782 2.303 3.474 . 0 0 "[ . 1]" 1
794 1 107 PHE QE 1 140 GLU HB3 3.150 . 4.500 1.842 1.757 1.947 0.043 1 0 "[ . 1]" 1
795 1 107 PHE QD 1 140 GLU HB2 3.150 . 4.500 3.179 2.942 3.335 . 0 0 "[ . 1]" 1
796 1 107 PHE QD 1 140 GLU HG3 3.400 . 5.000 4.392 4.162 4.496 . 0 0 "[ . 1]" 1
797 1 107 PHE QD 1 140 GLU HG2 2.650 . 3.500 2.780 2.600 2.880 . 0 0 "[ . 1]" 1
798 1 107 PHE QE 1 140 GLU HG2 2.650 . 3.500 3.163 3.131 3.219 . 0 0 "[ . 1]" 1
799 1 80 ILE MG 1 108 VAL HA 3.650 . 5.500 3.663 3.452 3.883 . 0 0 "[ . 1]" 1
800 1 107 PHE HA 1 108 VAL H 2.650 . 3.500 2.287 2.238 2.335 . 0 0 "[ . 1]" 1
801 1 107 PHE QD 1 108 VAL H 3.400 . 5.000 4.075 3.767 4.296 . 0 0 "[ . 1]" 1
802 1 108 VAL H 1 108 VAL HB 2.650 . 3.500 2.502 2.397 3.099 . 0 0 "[ . 1]" 1
803 1 108 VAL H 1 108 VAL MG1 3.150 . 4.500 3.605 2.153 3.796 . 0 0 "[ . 1]" 1
804 1 108 VAL H 1 135 ILE HA 2.900 . 4.000 2.474 2.288 2.676 . 0 0 "[ . 1]" 1
805 1 108 VAL H 1 135 ILE MG 4.150 . 6.500 4.384 4.143 4.615 . 0 0 "[ . 1]" 1
806 1 108 VAL H 1 136 MET H 2.650 . 3.500 3.282 2.923 3.512 0.012 6 0 "[ . 1]" 1
807 1 80 ILE MG 1 109 ALA H 3.400 . 5.000 4.084 3.701 4.198 . 0 0 "[ . 1]" 1
808 1 108 VAL HA 1 109 ALA H 2.400 . 3.000 2.262 2.217 2.353 . 0 0 "[ . 1]" 1
809 1 108 VAL MG1 1 109 ALA HA 3.650 . 5.500 3.811 3.570 4.025 . 0 0 "[ . 1]" 1
810 1 108 VAL MG1 1 109 ALA H 3.150 . 4.500 2.639 2.355 3.459 . 0 0 "[ . 1]" 1
811 1 109 ALA H 1 109 ALA HA 2.900 . 4.000 2.999 2.988 3.006 . 0 0 "[ . 1]" 1
812 1 109 ALA H 1 109 ALA MB 2.900 . 4.000 2.325 2.235 2.538 . 0 0 "[ . 1]" 1
813 1 109 ALA H 1 110 ARG H 2.400 . 3.000 2.263 2.021 2.538 . 0 0 "[ . 1]" 1
814 1 109 ALA MB 1 136 MET ME 4.400 . 7.000 2.636 2.141 2.939 . 0 0 "[ . 1]" 1
815 1 108 VAL MG1 1 110 ARG H 3.150 . 4.500 3.204 2.346 3.595 . 0 0 "[ . 1]" 1
816 1 109 ALA MB 1 110 ARG H 2.900 . 4.000 2.419 2.065 3.400 . 0 0 "[ . 1]" 1
817 1 110 ARG H 1 110 ARG HA 2.650 . 3.500 2.739 2.330 2.994 . 0 0 "[ . 1]" 1
818 1 110 ARG H 1 110 ARG HB3 2.650 . 3.500 3.332 2.577 3.634 0.134 1 0 "[ . 1]" 1
819 1 110 ARG H 1 110 ARG HB2 2.650 . 3.500 2.430 1.993 3.097 . 0 0 "[ . 1]" 1
820 1 111 LEU H 1 111 LEU HA 2.650 . 3.500 2.731 2.347 3.004 . 0 0 "[ . 1]" 1
821 1 111 LEU H 1 111 LEU QB 3.050 . 4.300 2.753 2.249 3.047 . 0 0 "[ . 1]" 1
822 1 111 LEU HA 1 111 LEU MD2 3.650 . 5.500 3.080 2.062 3.811 . 0 0 "[ . 1]" 1
823 1 111 LEU H 1 169 LEU MD1 3.400 . 5.000 3.965 3.540 4.180 . 0 0 "[ . 1]" 1
824 1 111 LEU H 1 169 LEU MD2 3.400 . 5.000 3.388 2.635 4.176 . 0 0 "[ . 1]" 1
825 1 111 LEU MD1 1 169 LEU MD2 4.400 . 7.000 3.308 2.094 4.157 . 0 0 "[ . 1]" 1
826 1 118 ASP H 1 118 ASP HA 2.650 . 3.500 2.940 2.902 3.001 . 0 0 "[ . 1]" 1
827 1 118 ASP HA 1 118 ASP HB3 2.650 . 3.500 3.010 2.950 3.035 . 0 0 "[ . 1]" 1
828 1 118 ASP H 1 118 ASP HB3 2.400 . 3.000 2.783 2.491 3.073 0.073 8 0 "[ . 1]" 1
829 1 118 ASP HA 1 118 ASP HB2 2.650 . 3.500 2.604 2.518 2.746 . 0 0 "[ . 1]" 1
830 1 118 ASP H 1 118 ASP HB2 2.400 . 3.000 2.599 2.241 3.080 0.080 8 0 "[ . 1]" 1
831 1 118 ASP H 1 119 TYR H 2.150 . 2.500 2.304 1.914 2.549 0.049 9 0 "[ . 1]" 1
832 1 118 ASP HA 1 121 GLU QB 4.050 . 6.300 3.716 2.582 4.369 . 0 0 "[ . 1]" 1
833 1 86 THR HA 1 119 TYR QD 2.900 . 4.000 3.320 2.622 3.614 . 0 0 "[ . 1]" 1
834 1 86 THR HA 1 119 TYR QE 3.150 . 4.500 2.216 1.776 2.986 0.024 6 0 "[ . 1]" 1
835 1 89 ALA MB 1 119 TYR QE 4.400 . 7.000 2.123 1.714 3.345 0.086 8 0 "[ . 1]" 1
836 1 118 ASP HB3 1 119 TYR H 2.650 . 3.500 2.935 2.280 3.528 0.028 7 0 "[ . 1]" 1
837 1 119 TYR H 1 119 TYR HA 2.900 . 4.000 2.875 2.824 2.921 . 0 0 "[ . 1]" 1
838 1 119 TYR HA 1 119 TYR QD 2.900 . 4.000 2.372 1.956 3.011 . 0 0 "[ . 1]" 1
839 1 119 TYR HA 1 119 TYR HB3 2.900 . 4.000 3.022 2.981 3.039 . 0 0 "[ . 1]" 1
840 1 119 TYR H 1 119 TYR HB3 2.650 . 3.500 2.554 2.324 2.855 . 0 0 "[ . 1]" 1
841 1 119 TYR HB3 1 119 TYR QD 2.900 . 4.000 2.390 2.289 2.645 . 0 0 "[ . 1]" 1
842 1 119 TYR HA 1 119 TYR HB2 2.650 . 3.500 2.544 2.451 2.701 . 0 0 "[ . 1]" 1
843 1 119 TYR H 1 119 TYR HB2 2.650 . 3.500 2.334 2.087 2.535 . 0 0 "[ . 1]" 1
844 1 119 TYR HB2 1 119 TYR QD 2.900 . 4.000 2.584 2.303 2.766 . 0 0 "[ . 1]" 1
845 1 119 TYR H 1 119 TYR QD 3.150 . 4.500 4.071 3.975 4.120 . 0 0 "[ . 1]" 1
846 1 119 TYR HA 1 122 ALA MB 3.150 . 4.500 2.482 2.228 2.827 . 0 0 "[ . 1]" 1
847 1 119 TYR QE 1 123 LEU HG 3.400 . 5.000 3.438 2.679 4.208 . 0 0 "[ . 1]" 1
848 1 119 TYR QE 1 123 LEU MD2 3.650 . 5.500 2.951 2.370 3.866 . 0 0 "[ . 1]" 1
849 1 119 TYR HA 1 120 GLN H 2.650 . 3.500 3.557 3.521 3.568 0.068 4 0 "[ . 1]" 1
850 1 119 TYR HB3 1 120 GLN H 2.650 . 3.500 2.330 2.153 2.580 . 0 0 "[ . 1]" 1
851 1 119 TYR HB2 1 120 GLN H 2.650 . 3.500 3.596 3.451 3.741 0.241 7 0 "[ . 1]" 1
852 1 119 TYR QD 1 120 GLN H 3.150 . 4.500 3.709 3.155 4.063 . 0 0 "[ . 1]" 1
853 1 120 GLN H 1 120 GLN HA 2.900 . 4.000 2.829 2.764 2.868 . 0 0 "[ . 1]" 1
854 1 120 GLN H 1 120 GLN QB 2.800 . 3.800 2.090 1.938 2.605 . 0 0 "[ . 1]" 1
855 1 120 GLN HA 1 120 GLN QG 3.550 . 5.300 2.503 2.177 3.388 . 0 0 "[ . 1]" 1
856 1 120 GLN H 1 120 GLN QG 3.050 . 4.300 3.305 2.023 3.807 . 0 0 "[ . 1]" 1
857 1 120 GLN HA 1 123 LEU HB2 3.900 . 6.000 2.788 2.343 3.006 . 0 0 "[ . 1]" 1
858 1 120 GLN H 1 176 ILE MG 4.150 . 6.500 3.372 2.864 4.592 . 0 0 "[ . 1]" 1
859 1 118 ASP HA 1 121 GLU H 2.900 . 4.000 3.768 3.247 4.095 0.095 8 0 "[ . 1]" 1
860 1 120 GLN HA 1 121 GLU H 2.900 . 4.000 3.600 3.578 3.624 . 0 0 "[ . 1]" 1
861 1 121 GLU H 1 121 GLU HA 2.400 . 3.000 2.874 2.857 2.895 . 0 0 "[ . 1]" 1
862 1 121 GLU H 1 121 GLU QB 2.550 . 3.300 2.423 1.957 2.576 . 0 0 "[ . 1]" 1
863 1 121 GLU H 1 121 GLU QG 2.800 . 3.800 2.073 1.845 3.391 . 0 0 "[ . 1]" 1
864 1 121 GLU H 1 177 LEU HB2 2.650 . 3.500 3.549 3.516 3.621 0.121 7 0 "[ . 1]" 1
865 1 119 TYR HA 1 122 ALA H 2.650 . 3.500 3.508 3.264 3.581 0.081 3 0 "[ . 1]" 1
866 1 121 GLU QB 1 122 ALA H 2.800 . 3.800 3.249 2.508 3.483 . 0 0 "[ . 1]" 1
867 1 121 GLU QG 1 122 ALA H 3.050 . 4.300 2.446 1.905 3.910 . 0 0 "[ . 1]" 1
868 1 122 ALA H 1 122 ALA HA 2.400 . 3.000 2.888 2.877 2.903 . 0 0 "[ . 1]" 1
869 1 122 ALA H 1 122 ALA MB 2.650 . 3.500 2.163 2.147 2.185 . 0 0 "[ . 1]" 1
870 1 122 ALA H 1 123 LEU H 2.400 . 3.000 2.609 2.528 2.662 . 0 0 "[ . 1]" 1
871 1 120 GLN HA 1 123 LEU H 3.150 . 4.500 3.523 3.349 3.704 . 0 0 "[ . 1]" 1
872 1 122 ALA HA 1 123 LEU H 2.900 . 4.000 3.557 3.538 3.576 . 0 0 "[ . 1]" 1
873 1 122 ALA MB 1 123 LEU H 3.150 . 4.500 2.578 2.502 2.677 . 0 0 "[ . 1]" 1
874 1 123 LEU H 1 123 LEU HA 2.900 . 4.000 2.885 2.871 2.898 . 0 0 "[ . 1]" 1
875 1 123 LEU HA 1 123 LEU HB3 2.650 . 3.500 2.589 2.547 2.652 . 0 0 "[ . 1]" 1
876 1 123 LEU HB3 1 123 LEU HG 2.650 . 3.500 3.024 2.993 3.034 . 0 0 "[ . 1]" 1
877 1 123 LEU H 1 123 LEU MD2 3.650 . 5.500 3.723 3.546 3.983 . 0 0 "[ . 1]" 1
878 1 121 GLU HA 1 124 ARG H 2.400 . 3.000 3.133 3.075 3.186 0.186 7 0 "[ . 1]" 1
879 1 123 LEU HB3 1 124 ARG H 2.900 . 4.000 3.691 3.509 3.801 . 0 0 "[ . 1]" 1
880 1 123 LEU HB2 1 124 ARG H 2.650 . 3.500 2.834 2.751 2.934 . 0 0 "[ . 1]" 1
881 1 124 ARG H 1 124 ARG HB2 2.400 . 3.000 2.552 2.461 3.099 0.099 10 0 "[ . 1]" 1
882 1 124 ARG H 1 124 ARG HD3 3.150 . 4.500 4.103 3.437 4.534 0.034 10 0 "[ . 1]" 1
883 1 124 ARG H 1 124 ARG HD2 2.900 . 4.000 3.969 3.673 4.045 0.045 10 0 "[ . 1]" 1
884 1 124 ARG H 1 124 ARG QG 2.800 . 3.800 2.088 1.865 3.410 . 0 0 "[ . 1]" 1
885 1 124 ARG H 1 125 SER H 2.400 . 3.000 2.578 2.512 2.652 . 0 0 "[ . 1]" 1
886 1 122 ALA HA 1 125 SER H 2.400 . 3.000 3.168 3.134 3.200 0.200 7 0 "[ . 1]" 1
887 1 124 ARG HB2 1 125 SER H 2.650 . 3.500 2.787 2.550 3.951 0.451 10 0 "[ . 1]" 1
888 1 124 ARG QG 1 125 SER H 3.050 . 4.300 3.719 2.133 3.905 . 0 0 "[ . 1]" 1
889 1 125 SER H 1 125 SER HA 2.400 . 3.000 2.890 2.855 2.911 . 0 0 "[ . 1]" 1
890 1 125 SER H 1 125 SER QB 2.550 . 3.300 2.238 1.987 2.555 . 0 0 "[ . 1]" 1
891 1 125 SER H 1 126 LEU H 2.400 . 3.000 2.638 2.542 2.805 . 0 0 "[ . 1]" 1
892 1 125 SER HA 1 128 GLN QB 3.050 . 4.300 2.370 2.035 2.701 . 0 0 "[ . 1]" 1
893 1 104 LEU MD1 1 126 LEU MD2 4.400 . 7.000 2.713 2.190 3.369 . 0 0 "[ . 1]" 1
894 1 104 LEU MD2 1 126 LEU MD2 4.400 . 7.000 4.415 3.870 4.758 . 0 0 "[ . 1]" 1
895 1 123 LEU HA 1 126 LEU H 2.400 . 3.000 3.114 3.049 3.160 0.160 6 0 "[ . 1]" 1
896 1 125 SER HA 1 126 LEU H 2.650 . 3.500 3.570 3.557 3.583 0.083 6 0 "[ . 1]" 1
897 1 126 LEU H 1 126 LEU HA 2.400 . 3.000 2.891 2.885 2.898 . 0 0 "[ . 1]" 1
898 1 126 LEU H 1 126 LEU HB3 2.650 . 3.500 2.810 2.057 3.559 0.059 6 0 "[ . 1]" 1
899 1 126 LEU HA 1 126 LEU HB2 2.650 . 3.500 2.692 2.342 3.037 . 0 0 "[ . 1]" 1
900 1 126 LEU H 1 126 LEU HB2 2.400 . 3.000 2.545 2.274 2.833 . 0 0 "[ . 1]" 1
901 1 126 LEU HA 1 126 LEU MD1 3.650 . 5.500 3.338 3.111 3.504 . 0 0 "[ . 1]" 1
902 1 126 LEU H 1 126 LEU MD1 2.900 . 4.000 2.581 1.733 3.422 0.067 2 0 "[ . 1]" 1
903 1 124 ARG HA 1 127 ALA H 2.650 . 3.500 3.338 3.242 3.427 . 0 0 "[ . 1]" 1
904 1 124 ARG HA 1 127 ALA MB 4.150 . 6.500 2.462 2.195 2.581 . 0 0 "[ . 1]" 1
905 1 126 LEU HA 1 127 ALA H 2.650 . 3.500 3.526 3.522 3.536 0.036 3 0 "[ . 1]" 1
906 1 126 LEU H 1 127 ALA H 2.150 . 2.500 2.522 2.508 2.532 0.032 4 0 "[ . 1]" 1
907 1 126 LEU HB3 1 127 ALA H 2.650 . 3.500 3.144 2.854 3.486 . 0 0 "[ . 1]" 1
908 1 126 LEU MD1 1 127 ALA H 2.900 . 4.000 2.957 2.340 3.525 . 0 0 "[ . 1]" 1
909 1 127 ALA H 1 127 ALA MB 2.650 . 3.500 2.086 2.039 2.148 . 0 0 "[ . 1]" 1
910 1 127 ALA MB 1 133 ILE MD 4.400 . 7.000 2.111 1.730 3.054 0.070 5 0 "[ . 1]" 1
911 1 125 SER HA 1 128 GLN H 2.400 . 3.000 3.079 3.057 3.097 0.097 10 0 "[ . 1]" 1
912 1 127 ALA H 1 128 GLN H 2.150 . 2.500 2.555 2.494 2.625 0.125 6 0 "[ . 1]" 1
913 1 127 ALA MB 1 128 GLN H 2.650 . 3.500 2.724 2.677 2.804 . 0 0 "[ . 1]" 1
914 1 128 GLN H 1 128 GLN HA 2.400 . 3.000 2.896 2.890 2.903 . 0 0 "[ . 1]" 1
915 1 128 GLN H 1 128 GLN QB 2.550 . 3.300 2.136 1.943 2.411 . 0 0 "[ . 1]" 1
916 1 128 GLN HA 1 128 GLN QG 3.050 . 4.300 3.054 2.398 3.411 . 0 0 "[ . 1]" 1
917 1 128 GLN H 1 128 GLN QG 2.800 . 3.800 2.779 2.052 3.412 . 0 0 "[ . 1]" 1
918 1 128 GLN H 1 129 ALA H 2.150 . 2.500 2.545 2.529 2.556 0.056 5 0 "[ . 1]" 1
919 1 96 LEU MD1 1 129 ALA H 3.150 . 4.500 3.787 3.767 3.802 . 0 0 "[ . 1]" 1
920 1 96 LEU MD2 1 129 ALA MB 4.400 . 7.000 2.846 2.464 3.183 . 0 0 "[ . 1]" 1
921 1 126 LEU HA 1 129 ALA H 2.650 . 3.500 3.493 3.403 3.533 0.033 9 0 "[ . 1]" 1
922 1 126 LEU HA 1 129 ALA MB 4.150 . 6.500 2.924 2.853 3.010 . 0 0 "[ . 1]" 1
923 1 128 GLN HA 1 129 ALA H 2.650 . 3.500 3.520 3.512 3.535 0.035 6 0 "[ . 1]" 1
924 1 128 GLN QB 1 129 ALA H 2.800 . 3.800 3.129 2.544 3.429 . 0 0 "[ . 1]" 1
925 1 128 GLN QG 1 129 ALA H 3.050 . 4.300 2.783 2.137 3.952 . 0 0 "[ . 1]" 1
926 1 129 ALA H 1 129 ALA MB 2.650 . 3.500 2.162 2.148 2.176 . 0 0 "[ . 1]" 1
927 1 129 ALA H 1 130 GLY H 2.150 . 2.500 2.521 2.440 2.591 0.091 1 0 "[ . 1]" 1
928 1 96 LEU MD1 1 130 GLY H 3.150 . 4.500 2.661 2.459 2.899 . 0 0 "[ . 1]" 1
929 1 129 ALA MB 1 130 GLY H 2.900 . 4.000 2.670 2.361 2.999 . 0 0 "[ . 1]" 1
930 1 130 GLY H 1 130 GLY HA2 2.400 . 3.000 2.612 2.510 2.683 . 0 0 "[ . 1]" 1
931 1 130 GLY H 1 131 ALA H 2.150 . 2.500 1.921 1.856 1.984 . 0 0 "[ . 1]" 1
932 1 96 LEU MD1 1 131 ALA HA 3.400 . 5.000 2.650 2.476 2.814 . 0 0 "[ . 1]" 1
933 1 96 LEU MD1 1 131 ALA H 2.900 . 4.000 2.782 2.708 2.927 . 0 0 "[ . 1]" 1
934 1 104 LEU HB2 1 131 ALA HA 2.900 . 4.000 2.269 2.068 2.630 . 0 0 "[ . 1]" 1
935 1 104 LEU MD1 1 131 ALA HA 4.150 . 6.500 3.876 3.757 4.139 . 0 0 "[ . 1]" 1
936 1 104 LEU MD1 1 131 ALA MB 3.900 . 6.000 2.193 1.936 2.412 . 0 0 "[ . 1]" 1
937 1 104 LEU MD2 1 131 ALA HA 4.150 . 6.500 4.576 4.197 4.725 . 0 0 "[ . 1]" 1
938 1 129 ALA MB 1 131 ALA H 3.150 . 4.500 3.785 3.760 3.814 . 0 0 "[ . 1]" 1
939 1 130 GLY HA2 1 131 ALA H 2.400 . 3.000 2.900 2.823 2.960 . 0 0 "[ . 1]" 1
940 1 131 ALA H 1 131 ALA HA 2.400 . 3.000 3.001 2.998 3.003 0.003 1 0 "[ . 1]" 1
941 1 131 ALA H 1 131 ALA MB 2.650 . 3.500 2.342 2.267 2.424 . 0 0 "[ . 1]" 1
942 1 104 LEU H 1 132 THR H 2.900 . 4.000 4.030 4.003 4.050 0.050 10 0 "[ . 1]" 1
943 1 104 LEU MD1 1 132 THR H 3.650 . 5.500 4.688 4.663 4.725 . 0 0 "[ . 1]" 1
944 1 105 THR HA 1 132 THR H 2.150 . 2.500 2.560 2.499 2.589 0.089 2 0 "[ . 1]" 1
945 1 105 THR MG 1 132 THR HB 3.150 . 4.500 1.821 1.772 1.896 0.028 6 0 "[ . 1]" 1
946 1 105 THR MG 1 132 THR H 3.150 . 4.500 3.823 3.795 3.842 . 0 0 "[ . 1]" 1
947 1 105 THR MG 1 132 THR MG 3.900 . 6.000 2.362 2.188 2.547 . 0 0 "[ . 1]" 1
948 1 106 ILE H 1 132 THR H 2.650 . 3.500 2.779 2.736 2.825 . 0 0 "[ . 1]" 1
949 1 131 ALA HA 1 132 THR H 2.150 . 2.500 2.454 2.416 2.484 . 0 0 "[ . 1]" 1
950 1 131 ALA MB 1 132 THR H 2.900 . 4.000 2.496 2.362 2.655 . 0 0 "[ . 1]" 1
951 1 132 THR H 1 132 THR HA 2.400 . 3.000 3.004 3.000 3.008 0.008 10 0 "[ . 1]" 1
952 1 132 THR HA 1 132 THR HB 2.650 . 3.500 3.038 3.035 3.040 . 0 0 "[ . 1]" 1
953 1 132 THR H 1 132 THR HB 2.400 . 3.000 2.540 2.514 2.565 . 0 0 "[ . 1]" 1
954 1 132 THR HA 1 132 THR MG 2.900 . 4.000 2.390 2.329 2.453 . 0 0 "[ . 1]" 1
955 1 132 THR H 1 132 THR MG 3.150 . 4.500 3.813 3.800 3.826 . 0 0 "[ . 1]" 1
956 1 132 THR HA 1 133 ILE H 2.150 . 2.500 2.237 2.230 2.246 . 0 0 "[ . 1]" 1
957 1 132 THR MG 1 133 ILE H 2.650 . 3.500 2.943 2.909 2.975 . 0 0 "[ . 1]" 1
958 1 133 ILE H 1 133 ILE HA 2.650 . 3.500 2.998 2.991 3.003 . 0 0 "[ . 1]" 1
959 1 133 ILE H 1 133 ILE HB 2.400 . 3.000 2.448 2.367 2.541 . 0 0 "[ . 1]" 1
960 1 133 ILE HB 1 133 ILE HG13 2.650 . 3.500 3.005 2.983 3.017 . 0 0 "[ . 1]" 1
961 1 133 ILE H 1 133 ILE MD 2.900 . 4.000 2.129 1.885 2.373 . 0 0 "[ . 1]" 1
962 1 105 THR MG 1 134 LYS HD2 3.400 . 5.000 4.149 4.054 4.190 . 0 0 "[ . 1]" 1
963 1 107 PHE HA 1 134 LYS H 2.400 . 3.000 2.648 2.496 2.850 . 0 0 "[ . 1]" 1
964 1 107 PHE QD 1 134 LYS H 3.150 . 4.500 3.840 3.662 4.045 . 0 0 "[ . 1]" 1
965 1 107 PHE QE 1 134 LYS H 3.400 . 5.000 4.501 4.464 4.573 . 0 0 "[ . 1]" 1
966 1 133 ILE HA 1 134 LYS H 2.400 . 3.000 2.204 2.199 2.222 . 0 0 "[ . 1]" 1
967 1 133 ILE MG 1 134 LYS H 2.650 . 3.500 2.958 2.931 2.987 . 0 0 "[ . 1]" 1
968 1 134 LYS H 1 134 LYS HA 2.650 . 3.500 2.984 2.971 2.997 . 0 0 "[ . 1]" 1
969 1 134 LYS HA 1 134 LYS HB3 2.650 . 3.500 2.592 2.492 2.645 . 0 0 "[ . 1]" 1
970 1 134 LYS H 1 134 LYS HB3 2.400 . 3.000 2.969 2.846 3.094 0.094 2 0 "[ . 1]" 1
971 1 134 LYS HA 1 134 LYS HB2 2.650 . 3.500 2.372 2.334 2.445 . 0 0 "[ . 1]" 1
972 1 134 LYS HA 1 134 LYS HG3 2.650 . 3.500 3.589 3.552 3.638 0.138 5 0 "[ . 1]" 1
973 1 134 LYS H 1 134 LYS HG2 2.400 . 3.000 2.479 2.227 2.750 . 0 0 "[ . 1]" 1
974 1 134 LYS HA 1 173 LEU MD2 3.150 . 4.500 2.686 2.553 2.844 . 0 0 "[ . 1]" 1
975 1 134 LYS HA 1 135 ILE H 2.400 . 3.000 2.330 2.290 2.385 . 0 0 "[ . 1]" 1
976 1 135 ILE H 1 135 ILE HA 2.650 . 3.500 2.865 2.842 2.896 . 0 0 "[ . 1]" 1
977 1 135 ILE H 1 135 ILE HB 2.400 . 3.000 2.300 2.249 2.386 . 0 0 "[ . 1]" 1
978 1 135 ILE HA 1 135 ILE MD 3.650 . 5.500 1.904 1.783 2.028 0.017 4 0 "[ . 1]" 1
979 1 135 ILE H 1 135 ILE MD 2.900 . 4.000 3.329 3.150 3.391 . 0 0 "[ . 1]" 1
980 1 135 ILE H 1 135 ILE HG12 2.400 . 3.000 2.217 2.070 2.315 . 0 0 "[ . 1]" 1
981 1 135 ILE MG 1 169 LEU HB3 4.150 . 6.500 2.168 1.648 3.277 0.152 5 0 "[ . 1]" 1
982 1 135 ILE MG 1 169 LEU MD2 4.400 . 7.000 3.206 1.781 3.672 0.019 6 0 "[ . 1]" 1
983 1 135 ILE H 1 170 SER HA 2.650 . 3.500 3.535 3.426 3.561 0.061 2 0 "[ . 1]" 1
984 1 135 ILE HB 1 173 LEU MD2 3.400 . 5.000 3.183 2.848 3.547 . 0 0 "[ . 1]" 1
985 1 135 ILE H 1 173 LEU MD2 2.900 . 4.000 2.339 2.057 2.575 . 0 0 "[ . 1]" 1
986 1 107 PHE HB3 1 136 MET H 2.900 . 4.000 3.902 3.598 4.040 0.040 9 0 "[ . 1]" 1
987 1 109 ALA HA 1 136 MET H 2.900 . 4.000 3.314 3.090 3.755 . 0 0 "[ . 1]" 1
988 1 109 ALA MB 1 136 MET H 3.650 . 5.500 4.163 3.865 4.372 . 0 0 "[ . 1]" 1
989 1 135 ILE HA 1 136 MET H 2.650 . 3.500 2.307 2.236 2.352 . 0 0 "[ . 1]" 1
990 1 135 ILE MD 1 136 MET H 3.400 . 5.000 3.260 3.165 3.512 . 0 0 "[ . 1]" 1
991 1 135 ILE MG 1 136 MET H 2.900 . 4.000 2.338 2.012 2.540 . 0 0 "[ . 1]" 1
992 1 136 MET H 1 136 MET HA 2.900 . 4.000 2.801 2.766 2.825 . 0 0 "[ . 1]" 1
993 1 136 MET H 1 136 MET HB3 2.400 . 3.000 2.363 2.250 2.626 . 0 0 "[ . 1]" 1
994 1 136 MET H 1 136 MET HB2 2.900 . 4.000 3.542 3.524 3.570 . 0 0 "[ . 1]" 1
995 1 136 MET H 1 136 MET HG3 2.900 . 4.000 3.718 3.546 3.799 . 0 0 "[ . 1]" 1
996 1 136 MET H 1 136 MET HG2 2.650 . 3.500 2.302 2.161 2.423 . 0 0 "[ . 1]" 1
997 1 107 PHE QD 1 137 ASN H 3.650 . 5.500 3.019 2.744 3.313 . 0 0 "[ . 1]" 1
998 1 136 MET HA 1 137 ASN H 2.400 . 3.000 2.229 2.183 2.281 . 0 0 "[ . 1]" 1
999 1 136 MET HB2 1 137 ASN H 2.900 . 4.000 3.471 3.143 3.845 . 0 0 "[ . 1]" 1
1000 1 136 MET HG2 1 137 ASN H 3.150 . 4.500 4.600 4.498 4.668 0.168 10 0 "[ . 1]" 1
1001 1 137 ASN H 1 137 ASN HA 2.900 . 4.000 2.984 2.974 2.993 . 0 0 "[ . 1]" 1
1002 1 137 ASN HA 1 137 ASN HB3 2.900 . 4.000 2.758 2.727 2.803 . 0 0 "[ . 1]" 1
1003 1 137 ASN H 1 137 ASN HB3 2.650 . 3.500 3.379 3.278 3.429 . 0 0 "[ . 1]" 1
1004 1 137 ASN HA 1 137 ASN HB2 2.900 . 4.000 2.926 2.896 2.950 . 0 0 "[ . 1]" 1
1005 1 137 ASN H 1 137 ASN HB2 2.650 . 3.500 2.232 2.149 2.351 . 0 0 "[ . 1]" 1
1006 1 137 ASN HB3 1 139 ASP QB 3.050 . 4.300 2.871 2.630 3.880 . 0 0 "[ . 1]" 1
1007 1 137 ASN H 1 140 GLU HB3 2.650 . 3.500 2.101 2.060 2.170 . 0 0 "[ . 1]" 1
1008 1 137 ASN H 1 140 GLU HB2 2.650 . 3.500 3.477 3.419 3.548 0.048 3 0 "[ . 1]" 1
1009 1 137 ASN HA 1 162 LEU MD2 4.150 . 6.500 4.164 3.413 4.451 . 0 0 "[ . 1]" 1
1010 1 137 ASN HA 1 166 SER QB 3.300 . 4.800 1.956 1.604 2.690 0.196 7 0 "[ . 1]" 1
1011 1 137 ASN HA 1 138 TYR H 2.650 . 3.500 2.379 2.348 2.440 . 0 0 "[ . 1]" 1
1012 1 137 ASN HB3 1 138 TYR H 2.400 . 3.000 2.893 2.588 3.026 0.026 8 0 "[ . 1]" 1
1013 1 138 TYR H 1 138 TYR HA 2.650 . 3.500 2.821 2.809 2.832 . 0 0 "[ . 1]" 1
1014 1 138 TYR HA 1 138 TYR QD 2.900 . 4.000 2.599 2.539 2.654 . 0 0 "[ . 1]" 1
1015 1 138 TYR HA 1 138 TYR HB3 2.650 . 3.500 3.019 3.006 3.025 . 0 0 "[ . 1]" 1
1016 1 138 TYR H 1 138 TYR HB3 2.400 . 3.000 2.243 2.183 2.328 . 0 0 "[ . 1]" 1
1017 1 138 TYR HB3 1 138 TYR QD 2.900 . 4.000 2.303 2.293 2.316 . 0 0 "[ . 1]" 1
1018 1 138 TYR HA 1 138 TYR HB2 2.650 . 3.500 2.369 2.344 2.392 . 0 0 "[ . 1]" 1
1019 1 138 TYR H 1 138 TYR HB2 2.400 . 3.000 2.685 2.564 2.794 . 0 0 "[ . 1]" 1
1020 1 138 TYR H 1 138 TYR QD 3.150 . 4.500 4.083 4.059 4.112 . 0 0 "[ . 1]" 1
1021 1 138 TYR QD 1 139 ASP HA 3.150 . 4.500 3.847 3.687 4.028 . 0 0 "[ . 1]" 1
1022 1 138 TYR QD 1 139 ASP QB 3.300 . 4.800 3.814 3.793 3.841 . 0 0 "[ . 1]" 1
1023 1 138 TYR H 1 141 PHE QE 3.150 . 4.500 3.742 3.454 4.027 . 0 0 "[ . 1]" 1
1024 1 138 TYR QE 1 156 PHE QD 3.650 . 5.500 4.304 3.984 4.403 . 0 0 "[ . 1]" 1
1025 1 138 TYR HA 1 162 LEU MD1 3.650 . 5.500 3.053 2.595 3.464 . 0 0 "[ . 1]" 1
1026 1 138 TYR H 1 162 LEU MD1 4.150 . 6.500 5.089 4.450 5.415 . 0 0 "[ . 1]" 1
1027 1 138 TYR HB2 1 162 LEU MD1 3.400 . 5.000 3.715 3.200 4.187 . 0 0 "[ . 1]" 1
1028 1 138 TYR QD 1 162 LEU MD1 4.400 . 7.000 2.481 2.070 3.198 . 0 0 "[ . 1]" 1
1029 1 138 TYR HA 1 162 LEU MD2 3.150 . 4.500 2.587 2.120 3.287 . 0 0 "[ . 1]" 1
1030 1 138 TYR H 1 162 LEU MD2 3.150 . 4.500 3.464 2.769 3.777 . 0 0 "[ . 1]" 1
1031 1 138 TYR HB2 1 162 LEU MD2 3.400 . 5.000 2.695 1.809 3.482 . 0 0 "[ . 1]" 1
1032 1 138 TYR QD 1 162 LEU MD2 4.400 . 7.000 3.363 2.768 3.965 . 0 0 "[ . 1]" 1
1033 1 137 ASN HA 1 139 ASP H 2.900 . 4.000 4.029 3.988 4.101 0.101 3 0 "[ . 1]" 1
1034 1 137 ASN HB3 1 139 ASP H 2.400 . 3.000 2.263 2.208 2.358 . 0 0 "[ . 1]" 1
1035 1 138 TYR HA 1 139 ASP H 2.650 . 3.500 3.524 3.517 3.529 0.029 2 0 "[ . 1]" 1
1036 1 138 TYR H 1 139 ASP H 2.400 . 3.000 2.712 2.677 2.745 . 0 0 "[ . 1]" 1
1037 1 138 TYR HB3 1 139 ASP H 2.400 . 3.000 2.814 2.741 2.857 . 0 0 "[ . 1]" 1
1038 1 138 TYR QD 1 139 ASP H 2.900 . 4.000 3.519 3.457 3.579 . 0 0 "[ . 1]" 1
1039 1 139 ASP H 1 139 ASP HA 2.650 . 3.500 2.880 2.855 2.895 . 0 0 "[ . 1]" 1
1040 1 139 ASP H 1 139 ASP QB 2.550 . 3.300 2.187 2.084 2.665 . 0 0 "[ . 1]" 1
1041 1 139 ASP H 1 140 GLU H 2.400 . 3.000 2.622 2.570 2.727 . 0 0 "[ . 1]" 1
1042 1 139 ASP HA 1 142 GLN QB 3.050 . 4.300 2.831 2.108 3.268 . 0 0 "[ . 1]" 1
1043 1 137 ASN HA 1 140 GLU H 2.900 . 4.000 4.277 4.217 4.327 0.327 3 0 "[ . 1]" 1
1044 1 137 ASN H 1 140 GLU H 2.400 . 3.000 3.090 3.009 3.150 0.150 2 0 "[ . 1]" 1
1045 1 137 ASN HB3 1 140 GLU H 3.150 . 4.500 2.993 2.787 3.350 . 0 0 "[ . 1]" 1
1046 1 137 ASN HB2 1 140 GLU H 2.650 . 3.500 3.201 2.937 3.316 . 0 0 "[ . 1]" 1
1047 1 139 ASP HA 1 140 GLU H 2.650 . 3.500 3.571 3.545 3.586 0.086 8 0 "[ . 1]" 1
1048 1 139 ASP QB 1 140 GLU H 2.800 . 3.800 2.848 2.709 3.496 . 0 0 "[ . 1]" 1
1049 1 140 GLU H 1 140 GLU HA 2.400 . 3.000 2.926 2.906 2.943 . 0 0 "[ . 1]" 1
1050 1 140 GLU H 1 140 GLU HB3 2.400 . 3.000 2.168 2.099 2.205 . 0 0 "[ . 1]" 1
1051 1 140 GLU H 1 140 GLU HG3 2.400 . 3.000 2.929 2.871 3.001 0.001 1 0 "[ . 1]" 1
1052 1 140 GLU H 1 140 GLU HG2 2.650 . 3.500 3.528 3.459 3.723 0.223 9 0 "[ . 1]" 1
1053 1 140 GLU H 1 141 PHE H 2.150 . 2.500 2.524 2.456 2.580 0.080 8 0 "[ . 1]" 1
1054 1 140 GLU HA 1 143 HIS HB3 3.900 . 6.000 3.169 2.789 3.646 . 0 0 "[ . 1]" 1
1055 1 140 GLU HA 1 143 HIS HB2 3.900 . 6.000 3.472 3.138 3.757 . 0 0 "[ . 1]" 1
1056 1 10 PHE HB3 1 141 PHE QD 3.150 . 4.500 2.123 1.844 2.580 . 0 0 "[ . 1]" 1
1057 1 10 PHE HB3 1 141 PHE QE 3.400 . 5.000 2.953 1.819 3.383 . 0 0 "[ . 1]" 1
1058 1 10 PHE HB2 1 141 PHE QD 3.150 . 4.500 3.690 3.179 4.017 . 0 0 "[ . 1]" 1
1059 1 10 PHE QD 1 141 PHE QE 3.900 . 6.000 2.320 1.847 4.302 . 0 0 "[ . 1]" 1
1060 1 137 ASN HA 1 141 PHE QD 3.650 . 5.500 4.458 4.191 4.837 . 0 0 "[ . 1]" 1
1061 1 138 TYR HA 1 141 PHE H 2.650 . 3.500 3.427 3.327 3.544 0.044 8 0 "[ . 1]" 1
1062 1 138 TYR HA 1 141 PHE QD 3.150 . 4.500 1.664 1.555 1.731 0.245 3 0 "[ . 1]" 1
1063 1 138 TYR HA 1 141 PHE QE 3.650 . 5.500 3.376 2.855 3.610 . 0 0 "[ . 1]" 1
1064 1 140 GLU HB3 1 141 PHE H 2.650 . 3.500 3.573 3.484 3.612 0.112 2 0 "[ . 1]" 1
1065 1 140 GLU HG3 1 141 PHE H 2.400 . 3.000 1.913 1.884 1.964 . 0 0 "[ . 1]" 1
1066 1 140 GLU HG3 1 141 PHE HZ 2.900 . 4.000 4.076 4.032 4.112 0.112 10 0 "[ . 1]" 1
1067 1 140 GLU HG3 1 141 PHE QD 2.900 . 4.000 3.015 2.944 3.121 . 0 0 "[ . 1]" 1
1068 1 140 GLU HG3 1 141 PHE QE 3.400 . 5.000 3.390 3.333 3.454 . 0 0 "[ . 1]" 1
1069 1 140 GLU HG2 1 141 PHE H 2.650 . 3.500 3.551 3.521 3.598 0.098 9 0 "[ . 1]" 1
1070 1 141 PHE H 1 141 PHE HA 2.650 . 3.500 2.918 2.896 2.939 . 0 0 "[ . 1]" 1
1071 1 141 PHE HA 1 141 PHE QD 3.150 . 4.500 2.541 2.233 2.674 . 0 0 "[ . 1]" 1
1072 1 141 PHE HB3 1 141 PHE QD 2.900 . 4.000 2.556 2.509 2.692 . 0 0 "[ . 1]" 1
1073 1 141 PHE H 1 141 PHE HB2 2.400 . 3.000 2.549 2.510 2.615 . 0 0 "[ . 1]" 1
1074 1 141 PHE HB2 1 141 PHE QD 2.900 . 4.000 2.273 2.230 2.295 . 0 0 "[ . 1]" 1
1075 1 141 PHE H 1 141 PHE QD 2.900 . 4.000 2.486 2.298 2.884 . 0 0 "[ . 1]" 1
1076 1 141 PHE H 1 142 GLN H 2.400 . 3.000 2.591 2.477 2.725 . 0 0 "[ . 1]" 1
1077 1 141 PHE HA 1 144 CYS HB3 2.900 . 4.000 3.058 2.674 3.277 . 0 0 "[ . 1]" 1
1078 1 141 PHE HA 1 144 CYS HB2 2.900 . 4.000 2.755 2.467 2.939 . 0 0 "[ . 1]" 1
1079 1 141 PHE QD 1 156 PHE HZ 3.650 . 5.500 4.475 3.729 4.960 . 0 0 "[ . 1]" 1
1080 1 141 PHE QD 1 162 LEU MD1 4.400 . 7.000 2.968 2.663 3.399 . 0 0 "[ . 1]" 1
1081 1 141 PHE QE 1 162 LEU MD1 4.400 . 7.000 3.850 3.574 4.124 . 0 0 "[ . 1]" 1
1082 1 141 PHE HZ 1 162 LEU MD2 4.150 . 6.500 3.557 3.136 3.937 . 0 0 "[ . 1]" 1
1083 1 141 PHE QD 1 162 LEU MD2 4.400 . 7.000 2.522 2.311 2.753 . 0 0 "[ . 1]" 1
1084 1 139 ASP HA 1 142 GLN H 2.650 . 3.500 3.497 3.253 3.645 0.145 3 0 "[ . 1]" 1
1085 1 141 PHE HB2 1 142 GLN H 2.400 . 3.000 2.397 2.240 2.613 . 0 0 "[ . 1]" 1
1086 1 141 PHE QD 1 142 GLN H 2.900 . 4.000 3.726 3.696 3.811 . 0 0 "[ . 1]" 1
1087 1 142 GLN H 1 142 GLN HA 2.650 . 3.500 2.838 2.820 2.859 . 0 0 "[ . 1]" 1
1088 1 142 GLN H 1 142 GLN QB 2.800 . 3.800 2.122 1.939 2.673 . 0 0 "[ . 1]" 1
1089 1 142 GLN H 1 142 GLN QG 2.800 . 3.800 2.836 1.890 3.419 . 0 0 "[ . 1]" 1
1090 1 142 GLN H 1 143 HIS H 2.400 . 3.000 2.790 2.721 2.844 . 0 0 "[ . 1]" 1
1091 1 142 GLN H 1 156 PHE QD 3.150 . 4.500 3.976 3.428 4.133 . 0 0 "[ . 1]" 1
1092 1 142 GLN H 1 156 PHE QE 3.150 . 4.500 3.196 2.602 3.800 . 0 0 "[ . 1]" 1
1093 1 140 GLU HA 1 143 HIS H 2.650 . 3.500 3.584 3.547 3.640 0.140 2 0 "[ . 1]" 1
1094 1 142 GLN QB 1 143 HIS H 2.800 . 3.800 3.241 2.208 3.472 . 0 0 "[ . 1]" 1
1095 1 142 GLN QG 1 143 HIS H 2.800 . 3.800 2.346 1.986 3.540 . 0 0 "[ . 1]" 1
1096 1 143 HIS HA 1 143 HIS HB3 2.400 . 3.000 3.015 2.994 3.036 0.036 1 0 "[ . 1]" 1
1097 1 143 HIS H 1 143 HIS HB3 2.400 . 3.000 2.677 2.461 2.796 . 0 0 "[ . 1]" 1
1098 1 143 HIS HA 1 143 HIS HB2 2.650 . 3.500 2.619 2.527 2.680 . 0 0 "[ . 1]" 1
1099 1 143 HIS H 1 143 HIS HB2 2.400 . 3.000 2.304 2.215 2.481 . 0 0 "[ . 1]" 1
1100 1 141 PHE HA 1 144 CYS H 2.650 . 3.500 3.307 3.085 3.413 . 0 0 "[ . 1]" 1
1101 1 143 HIS HB3 1 144 CYS H 2.400 . 3.000 2.346 2.119 2.604 . 0 0 "[ . 1]" 1
1102 1 143 HIS HB2 1 144 CYS H 2.650 . 3.500 3.531 3.434 3.562 0.062 1 0 "[ . 1]" 1
1103 1 144 CYS H 1 144 CYS HA 2.650 . 3.500 2.865 2.839 2.886 . 0 0 "[ . 1]" 1
1104 1 144 CYS H 1 144 CYS HB3 2.400 . 3.000 3.105 2.996 3.205 0.205 2 0 "[ . 1]" 1
1105 1 144 CYS H 1 144 CYS HB2 2.400 . 3.000 1.989 1.940 2.044 . 0 0 "[ . 1]" 1
1106 1 144 CYS H 1 145 TRP H 2.400 . 3.000 2.662 2.595 2.737 . 0 0 "[ . 1]" 1
1107 1 144 CYS HA 1 147 LYS HB2 2.650 . 3.500 2.340 1.989 3.233 . 0 0 "[ . 1]" 1
1108 1 142 GLN HA 1 145 TRP H 2.900 . 4.000 3.758 3.474 3.980 . 0 0 "[ . 1]" 1
1109 1 144 CYS HA 1 145 TRP H 2.650 . 3.500 3.527 3.498 3.566 0.066 5 0 "[ . 1]" 1
1110 1 144 CYS HB3 1 145 TRP H 2.650 . 3.500 3.029 2.735 3.311 . 0 0 "[ . 1]" 1
1111 1 145 TRP H 1 145 TRP HA 2.650 . 3.500 2.860 2.832 2.894 . 0 0 "[ . 1]" 1
1112 1 145 TRP H 1 145 TRP HB3 2.400 . 3.000 2.419 2.328 2.530 . 0 0 "[ . 1]" 1
1113 1 145 TRP HB3 1 145 TRP HD1 2.400 . 3.000 2.550 2.509 2.645 . 0 0 "[ . 1]" 1
1114 1 145 TRP HB3 1 145 TRP HE3 3.400 . 5.000 4.201 4.101 4.245 . 0 0 "[ . 1]" 1
1115 1 145 TRP HA 1 145 TRP HB2 2.900 . 4.000 2.467 2.429 2.517 . 0 0 "[ . 1]" 1
1116 1 145 TRP H 1 145 TRP HB2 2.400 . 3.000 2.490 2.317 2.585 . 0 0 "[ . 1]" 1
1117 1 145 TRP HB2 1 145 TRP HD1 2.650 . 3.500 3.706 3.654 3.776 0.276 2 0 "[ . 1]" 1
1118 1 145 TRP HB2 1 145 TRP HE3 3.400 . 5.000 2.735 2.567 2.853 . 0 0 "[ . 1]" 1
1119 1 145 TRP H 1 146 SER H 2.400 . 3.000 2.694 2.577 2.749 . 0 0 "[ . 1]" 1
1120 1 145 TRP HA 1 149 VAL HB 3.150 . 4.500 3.169 2.126 3.739 . 0 0 "[ . 1]" 1
1121 1 145 TRP HA 1 149 VAL MG1 4.150 . 6.500 4.023 3.614 4.377 . 0 0 "[ . 1]" 1
1122 1 145 TRP HE1 1 149 VAL MG1 3.650 . 5.500 4.023 3.107 4.585 . 0 0 "[ . 1]" 1
1123 1 145 TRP HH2 1 149 VAL MG1 3.400 . 5.000 3.177 2.964 3.526 . 0 0 "[ . 1]" 1
1124 1 145 TRP HA 1 149 VAL MG2 3.650 . 5.500 1.786 1.614 1.977 0.186 8 0 "[ . 1]" 1
1125 1 145 TRP HE1 1 149 VAL MG2 3.650 . 5.500 4.677 4.620 4.731 . 0 0 "[ . 1]" 1
1126 1 145 TRP HE3 1 149 VAL MG2 4.150 . 6.500 2.318 2.193 2.488 . 0 0 "[ . 1]" 1
1127 1 145 TRP HH2 1 149 VAL MG2 3.400 . 5.000 4.154 3.941 4.237 . 0 0 "[ . 1]" 1
1128 1 145 TRP HE1 1 151 SER HB3 2.400 . 3.000 2.900 2.655 3.059 0.059 7 0 "[ . 1]" 1
1129 1 145 TRP HE1 1 151 SER HB2 2.650 . 3.500 3.517 3.382 3.558 0.058 9 0 "[ . 1]" 1
1130 1 145 TRP HE1 1 154 ALA MB 3.150 . 4.500 2.259 1.819 3.069 . 0 0 "[ . 1]" 1
1131 1 145 TRP HD1 1 156 PHE QB 2.800 . 3.800 2.410 2.027 3.118 . 0 0 "[ . 1]" 1
1132 1 145 TRP HE1 1 156 PHE QB 3.050 . 4.300 2.649 2.443 3.524 . 0 0 "[ . 1]" 1
1133 1 145 TRP H 1 156 PHE QD 3.150 . 4.500 3.979 3.535 4.089 . 0 0 "[ . 1]" 1
1134 1 145 TRP HD1 1 156 PHE QD 3.150 . 4.500 3.694 3.392 4.045 . 0 0 "[ . 1]" 1
1135 1 145 TRP HE1 1 156 PHE QD 3.400 . 5.000 4.559 4.411 4.636 . 0 0 "[ . 1]" 1
1136 1 143 HIS HA 1 146 SER H 2.650 . 3.500 3.567 3.535 3.622 0.122 9 0 "[ . 1]" 1
1137 1 145 TRP HA 1 146 SER H 2.900 . 4.000 3.582 3.560 3.591 . 0 0 "[ . 1]" 1
1138 1 145 TRP HB3 1 146 SER H 2.650 . 3.500 2.518 2.366 2.669 . 0 0 "[ . 1]" 1
1139 1 145 TRP HD1 1 146 SER H 2.650 . 3.500 3.560 3.519 3.600 0.100 3 0 "[ . 1]" 1
1140 1 144 CYS HA 1 147 LYS H 2.400 . 3.000 3.129 3.086 3.178 0.178 2 0 "[ . 1]" 1
1141 1 146 SER H 1 147 LYS H 2.400 . 3.000 2.572 2.495 2.720 . 0 0 "[ . 1]" 1
1142 1 147 LYS H 1 147 LYS HA 2.400 . 3.000 2.939 2.888 2.966 . 0 0 "[ . 1]" 1
1143 1 147 LYS H 1 147 LYS HB3 2.650 . 3.500 3.550 3.473 3.590 0.090 2 0 "[ . 1]" 1
1144 1 147 LYS H 1 147 LYS HB2 2.400 . 3.000 2.380 2.174 2.795 . 0 0 "[ . 1]" 1
1145 1 147 LYS H 1 147 LYS HD3 2.650 . 3.500 3.565 3.521 3.595 0.095 2 0 "[ . 1]" 1
1146 1 147 LYS H 1 147 LYS HE3 2.900 . 4.000 4.032 4.008 4.058 0.058 5 0 "[ . 1]" 1
1147 1 147 LYS H 1 147 LYS HE2 2.900 . 4.000 4.037 4.008 4.079 0.079 2 0 "[ . 1]" 1
1148 1 147 LYS H 1 147 LYS HG2 2.400 . 3.000 2.406 1.983 3.094 0.094 6 0 "[ . 1]" 1
1149 1 147 LYS H 1 148 PHE H 2.400 . 3.000 2.583 2.416 2.793 . 0 0 "[ . 1]" 1
1150 1 25 CYS QB 1 148 PHE QD 3.300 . 4.800 3.494 2.128 3.855 . 0 0 "[ . 1]" 1
1151 1 25 CYS QB 1 148 PHE QE 3.550 . 5.300 2.392 1.882 3.239 . 0 0 "[ . 1]" 1
1152 1 46 GLN QG 1 148 PHE QE 3.800 . 5.800 3.356 2.574 4.151 . 0 0 "[ . 1]" 1
1153 1 79 TYR QD 1 148 PHE QD 3.650 . 5.500 4.436 4.417 4.504 . 0 0 "[ . 1]" 1
1154 1 79 TYR QE 1 148 PHE QD 3.900 . 6.000 4.483 4.125 4.816 . 0 0 "[ . 1]" 1
1155 1 79 TYR QE 1 148 PHE QE 4.400 . 7.000 4.118 3.040 5.346 . 0 0 "[ . 1]" 1
1156 1 147 LYS HA 1 148 PHE H 2.650 . 3.500 3.575 3.567 3.583 0.083 7 0 "[ . 1]" 1
1157 1 147 LYS HB3 1 148 PHE H 2.650 . 3.500 3.389 3.025 3.557 0.057 3 0 "[ . 1]" 1
1158 1 147 LYS HB3 1 148 PHE QD 2.900 . 4.000 3.499 2.858 3.627 . 0 0 "[ . 1]" 1
1159 1 147 LYS HB2 1 148 PHE H 2.650 . 3.500 2.304 1.916 2.688 . 0 0 "[ . 1]" 1
1160 1 147 LYS HB2 1 148 PHE QD 3.150 . 4.500 2.877 1.866 3.676 . 0 0 "[ . 1]" 1
1161 1 148 PHE H 1 148 PHE HA 2.900 . 4.000 2.931 2.843 2.988 . 0 0 "[ . 1]" 1
1162 1 148 PHE HA 1 148 PHE QD 3.150 . 4.500 2.603 1.729 3.015 0.071 9 0 "[ . 1]" 1
1163 1 148 PHE H 1 148 PHE HB3 2.650 . 3.500 3.449 3.379 3.554 0.054 8 0 "[ . 1]" 1
1164 1 148 PHE HB3 1 148 PHE QD 2.900 . 4.000 2.481 2.325 2.583 . 0 0 "[ . 1]" 1
1165 1 148 PHE H 1 148 PHE HB2 2.650 . 3.500 2.138 2.054 2.290 . 0 0 "[ . 1]" 1
1166 1 148 PHE HB2 1 148 PHE QD 2.900 . 4.000 2.491 2.345 2.762 . 0 0 "[ . 1]" 1
1167 1 148 PHE H 1 148 PHE QD 2.900 . 4.000 2.798 1.881 3.520 . 0 0 "[ . 1]" 1
1168 1 148 PHE H 1 149 VAL H 2.400 . 3.000 2.603 2.286 2.930 . 0 0 "[ . 1]" 1
1169 1 145 TRP HB3 1 149 VAL MG2 4.150 . 6.500 4.118 3.952 4.344 . 0 0 "[ . 1]" 1
1170 1 148 PHE HA 1 149 VAL H 2.900 . 4.000 3.555 3.368 3.628 . 0 0 "[ . 1]" 1
1171 1 148 PHE HB3 1 149 VAL H 2.900 . 4.000 3.560 3.086 4.035 0.035 9 0 "[ . 1]" 1
1172 1 148 PHE HB2 1 149 VAL H 2.900 . 4.000 3.108 2.597 3.696 . 0 0 "[ . 1]" 1
1173 1 149 VAL H 1 149 VAL HB 2.650 . 3.500 2.628 2.370 2.839 . 0 0 "[ . 1]" 1
1174 1 149 VAL H 1 149 VAL MG1 3.650 . 5.500 3.799 3.748 3.864 . 0 0 "[ . 1]" 1
1175 1 149 VAL H 1 149 VAL MG2 3.150 . 4.500 2.099 1.888 2.399 . 0 0 "[ . 1]" 1
1176 1 149 VAL HA 1 150 TYR H 2.650 . 3.500 2.612 2.359 3.563 0.063 2 0 "[ . 1]" 1
1177 1 149 VAL HB 1 150 TYR H 2.650 . 3.500 3.241 2.095 3.593 0.093 1 0 "[ . 1]" 1
1178 1 149 VAL MG1 1 150 TYR H 2.900 . 4.000 2.115 1.888 3.265 . 0 0 "[ . 1]" 1
1179 1 149 VAL MG2 1 150 TYR H 3.400 . 5.000 3.934 3.633 4.096 . 0 0 "[ . 1]" 1
1180 1 150 TYR H 1 150 TYR HA 2.400 . 3.000 2.887 2.345 2.999 . 0 0 "[ . 1]" 1
1181 1 150 TYR HA 1 150 TYR QD 2.900 . 4.000 2.904 2.619 3.126 . 0 0 "[ . 1]" 1
1182 1 150 TYR HA 1 150 TYR HB3 2.650 . 3.500 2.794 2.525 2.973 . 0 0 "[ . 1]" 1
1183 1 150 TYR HB3 1 150 TYR QD 2.900 . 4.000 2.382 2.317 2.490 . 0 0 "[ . 1]" 1
1184 1 150 TYR HA 1 150 TYR HB2 2.650 . 3.500 2.791 2.289 3.037 . 0 0 "[ . 1]" 1
1185 1 150 TYR H 1 150 TYR HB2 2.400 . 3.000 2.457 1.987 3.070 0.070 2 0 "[ . 1]" 1
1186 1 150 TYR H 1 150 TYR QD 2.900 . 4.000 3.185 1.865 3.668 . 0 0 "[ . 1]" 1
1187 1 150 TYR H 1 151 SER H 2.900 . 4.000 2.763 1.976 3.839 . 0 0 "[ . 1]" 1
1188 1 149 VAL MG1 1 151 SER H 3.150 . 4.500 2.713 1.933 3.602 . 0 0 "[ . 1]" 1
1189 1 149 VAL MG1 1 151 SER HB2 3.400 . 5.000 2.641 2.030 3.489 . 0 0 "[ . 1]" 1
1190 1 150 TYR HB3 1 151 SER H 2.650 . 3.500 2.726 1.966 3.546 0.046 7 0 "[ . 1]" 1
1191 1 150 TYR QD 1 151 SER H 3.150 . 4.500 3.898 3.188 4.146 . 0 0 "[ . 1]" 1
1192 1 151 SER H 1 151 SER HA 2.400 . 3.000 2.572 2.350 2.816 . 0 0 "[ . 1]" 1
1193 1 151 SER H 1 151 SER HB3 2.400 . 3.000 3.151 3.030 3.246 0.246 2 0 "[ . 1]" 1
1194 1 151 SER H 1 151 SER HB2 2.400 . 3.000 2.465 1.904 3.001 0.001 8 0 "[ . 1]" 1
1195 1 151 SER H 1 152 GLN H 2.400 . 3.000 2.959 2.843 3.012 0.012 3 0 "[ . 1]" 1
1196 1 152 GLN H 1 152 GLN HA 2.650 . 3.500 2.351 2.346 2.356 . 0 0 "[ . 1]" 1
1197 1 152 GLN HA 1 153 GLY H 2.650 . 3.500 2.791 2.333 3.192 . 0 0 "[ . 1]" 1
1198 1 152 GLN H 1 153 GLY H 2.650 . 3.500 3.095 2.844 3.486 . 0 0 "[ . 1]" 1
1199 1 153 GLY H 1 153 GLY HA3 2.650 . 3.500 2.936 2.901 2.989 . 0 0 "[ . 1]" 1
1200 1 153 GLY H 1 153 GLY HA2 2.400 . 3.000 2.383 2.349 2.458 . 0 0 "[ . 1]" 1
1201 1 145 TRP HE1 1 154 ALA H 2.650 . 3.500 3.568 3.550 3.613 0.113 2 0 "[ . 1]" 1
1202 1 153 GLY H 1 154 ALA H 2.150 . 2.500 2.433 2.095 2.608 0.108 8 0 "[ . 1]" 1
1203 1 153 GLY HA2 1 154 ALA H 2.400 . 3.000 2.884 2.713 3.092 0.092 3 0 "[ . 1]" 1
1204 1 154 ALA H 1 154 ALA HA 2.400 . 3.000 2.956 2.948 2.960 . 0 0 "[ . 1]" 1
1205 1 154 ALA H 1 154 ALA MB 2.400 . 3.000 2.109 2.009 2.216 . 0 0 "[ . 1]" 1
1206 1 145 TRP HB3 1 156 PHE QE 3.150 . 4.500 4.071 4.000 4.097 . 0 0 "[ . 1]" 1
1207 1 145 TRP HB2 1 156 PHE QD 3.150 . 4.500 2.446 2.176 2.731 . 0 0 "[ . 1]" 1
1208 1 145 TRP HB2 1 156 PHE QE 3.400 . 5.000 3.091 2.873 3.403 . 0 0 "[ . 1]" 1
1209 1 145 TRP HD1 1 156 PHE H 2.400 . 3.000 3.148 3.045 3.202 0.202 7 0 "[ . 1]" 1
1210 1 156 PHE H 1 156 PHE HA 2.400 . 3.000 2.880 2.805 2.904 . 0 0 "[ . 1]" 1
1211 1 156 PHE HA 1 156 PHE QD 2.900 . 4.000 2.609 1.849 3.478 . 0 0 "[ . 1]" 1
1212 1 156 PHE H 1 156 PHE QB 2.550 . 3.300 2.013 1.937 2.120 . 0 0 "[ . 1]" 1
1213 1 156 PHE HZ 1 162 LEU MD1 3.650 . 5.500 2.531 1.989 2.901 . 0 0 "[ . 1]" 1
1214 1 156 PHE QD 1 162 LEU MD1 4.400 . 7.000 4.860 4.560 5.161 . 0 0 "[ . 1]" 1
1215 1 156 PHE HA 1 157 GLN H 2.400 . 3.000 2.202 2.185 2.225 . 0 0 "[ . 1]" 1
1216 1 156 PHE QD 1 157 GLN H 2.650 . 3.500 3.040 2.350 3.141 . 0 0 "[ . 1]" 1
1217 1 157 GLN H 1 157 GLN HA 2.650 . 3.500 2.975 2.947 2.994 . 0 0 "[ . 1]" 1
1218 1 157 GLN H 1 157 GLN HB3 2.400 . 3.000 2.772 2.508 3.181 0.181 9 0 "[ . 1]" 1
1219 1 157 GLN HA 1 157 GLN HB2 2.650 . 3.500 2.528 2.402 2.900 . 0 0 "[ . 1]" 1
1220 1 157 GLN H 1 157 GLN HB2 2.650 . 3.500 3.298 2.033 3.678 0.178 5 0 "[ . 1]" 1
1221 1 157 GLN HA 1 157 GLN QG 3.050 . 4.300 3.077 2.048 3.367 . 0 0 "[ . 1]" 1
1222 1 157 GLN H 1 157 GLN QG 2.800 . 3.800 2.443 2.051 3.453 . 0 0 "[ . 1]" 1
1223 1 12 ASN QB 1 159 TRP HE1 3.300 . 4.800 2.701 2.264 3.277 . 0 0 "[ . 1]" 1
1224 1 13 ARG QB 1 159 TRP HE1 3.300 . 4.800 4.318 4.276 4.369 . 0 0 "[ . 1]" 1
1225 1 13 ARG HG3 1 159 TRP HE1 2.650 . 3.500 2.559 2.111 3.486 . 0 0 "[ . 1]" 1
1226 1 13 ARG HG2 1 159 TRP HE1 2.650 . 3.500 2.892 2.225 3.493 . 0 0 "[ . 1]" 1
1227 1 156 PHE QE 1 159 TRP HE3 3.400 . 5.000 3.527 2.707 4.328 . 0 0 "[ . 1]" 1
1228 1 159 TRP H 1 159 TRP HE1 2.900 . 4.000 3.845 3.797 3.898 . 0 0 "[ . 1]" 1
1229 1 159 TRP H 1 159 TRP HB3 2.400 . 3.000 3.141 3.076 3.245 0.245 8 0 "[ . 1]" 1
1230 1 159 TRP HB3 1 159 TRP HD1 2.900 . 4.000 3.877 3.848 3.895 . 0 0 "[ . 1]" 1
1231 1 159 TRP HB3 1 159 TRP HE3 2.650 . 3.500 2.478 2.430 2.556 . 0 0 "[ . 1]" 1
1232 1 159 TRP HB2 1 159 TRP HD1 2.650 . 3.500 3.218 3.178 3.283 . 0 0 "[ . 1]" 1
1233 1 159 TRP HB2 1 159 TRP HE3 2.650 . 3.500 3.552 3.482 3.591 0.091 4 0 "[ . 1]" 1
1234 1 159 TRP H 1 159 TRP HD1 2.400 . 3.000 2.446 2.330 2.606 . 0 0 "[ . 1]" 1
1235 1 159 TRP H 1 160 ASP H 2.650 . 3.500 3.550 3.503 3.643 0.143 7 0 "[ . 1]" 1
1236 1 159 TRP HD1 1 162 LEU HA 2.900 . 4.000 3.647 3.454 3.809 . 0 0 "[ . 1]" 1
1237 1 159 TRP HE1 1 162 LEU HA 2.650 . 3.500 2.596 2.251 2.877 . 0 0 "[ . 1]" 1
1238 1 159 TRP HD1 1 162 LEU HG 2.900 . 4.000 4.039 4.011 4.055 0.055 2 0 "[ . 1]" 1
1239 1 159 TRP HE1 1 162 LEU HG 2.650 . 3.500 1.923 1.841 2.173 . 0 0 "[ . 1]" 1
1240 1 159 TRP HZ2 1 162 LEU HG 2.900 . 4.000 2.710 2.583 2.980 . 0 0 "[ . 1]" 1
1241 1 159 TRP H 1 162 LEU H 2.400 . 3.000 2.865 2.683 2.990 . 0 0 "[ . 1]" 1
1242 1 159 TRP H 1 162 LEU HB3 2.900 . 4.000 3.240 2.763 3.510 . 0 0 "[ . 1]" 1
1243 1 159 TRP HD1 1 162 LEU HB3 2.900 . 4.000 4.062 4.003 4.117 0.117 4 0 "[ . 1]" 1
1244 1 159 TRP H 1 162 LEU HB2 2.900 . 4.000 2.221 1.842 2.485 . 0 0 "[ . 1]" 1
1245 1 159 TRP HE1 1 162 LEU HB2 2.900 . 4.000 2.348 2.175 2.575 . 0 0 "[ . 1]" 1
1246 1 159 TRP H 1 162 LEU MD1 2.900 . 4.000 3.139 2.643 3.293 . 0 0 "[ . 1]" 1
1247 1 159 TRP HD1 1 162 LEU MD1 3.650 . 5.500 3.969 3.836 4.108 . 0 0 "[ . 1]" 1
1248 1 159 TRP HE1 1 162 LEU MD1 3.400 . 5.000 2.995 2.626 3.345 . 0 0 "[ . 1]" 1
1249 1 159 TRP HE3 1 162 LEU MD1 4.150 . 6.500 4.279 3.717 4.583 . 0 0 "[ . 1]" 1
1250 1 159 TRP HH2 1 162 LEU MD1 4.150 . 6.500 3.649 3.520 3.835 . 0 0 "[ . 1]" 1
1251 1 159 TRP HZ2 1 162 LEU MD1 4.150 . 6.500 2.704 2.282 3.073 . 0 0 "[ . 1]" 1
1252 1 159 TRP HE1 1 162 LEU MD2 3.650 . 5.500 3.578 3.498 3.708 . 0 0 "[ . 1]" 1
1253 1 159 TRP HZ2 1 162 LEU MD2 4.150 . 6.500 3.890 3.774 4.058 . 0 0 "[ . 1]" 1
1254 1 159 TRP HB2 1 160 ASP H 2.400 . 3.000 1.972 1.905 2.022 . 0 0 "[ . 1]" 1
1255 1 159 TRP HD1 1 160 ASP H 2.650 . 3.500 1.997 1.955 2.062 . 0 0 "[ . 1]" 1
1256 1 160 ASP H 1 160 ASP HA 2.650 . 3.500 2.918 2.900 2.925 . 0 0 "[ . 1]" 1
1257 1 160 ASP H 1 160 ASP QB 2.550 . 3.300 2.217 2.111 2.351 . 0 0 "[ . 1]" 1
1258 1 160 ASP H 1 162 LEU H 2.900 . 4.000 4.066 4.032 4.103 0.103 8 0 "[ . 1]" 1
1259 1 160 ASP HA 1 161 GLY H 2.400 . 3.000 2.750 2.565 2.933 . 0 0 "[ . 1]" 1
1260 1 160 ASP QB 1 161 GLY H 3.050 . 4.300 3.894 3.850 3.922 . 0 0 "[ . 1]" 1
1261 1 161 GLY H 1 161 GLY HA3 2.650 . 3.500 2.926 2.871 2.967 . 0 0 "[ . 1]" 1
1262 1 161 GLY H 1 161 GLY HA2 2.400 . 3.000 2.374 2.339 2.412 . 0 0 "[ . 1]" 1
1263 1 161 GLY H 1 162 LEU H 2.400 . 3.000 2.504 2.290 2.746 . 0 0 "[ . 1]" 1
1264 1 161 GLY HA2 1 164 GLU HB3 2.650 . 3.500 3.414 3.199 3.524 0.024 1 0 "[ . 1]" 1
1265 1 161 GLY HA2 1 164 GLU HB2 2.650 . 3.500 2.806 2.613 2.930 . 0 0 "[ . 1]" 1
1266 1 141 PHE QE 1 162 LEU MD2 4.400 . 7.000 2.280 1.978 2.583 . 0 0 "[ . 1]" 1
1267 1 159 TRP HE1 1 162 LEU H 2.650 . 3.500 3.631 3.597 3.690 0.190 6 0 "[ . 1]" 1
1268 1 161 GLY HA2 1 162 LEU H 2.650 . 3.500 2.920 2.859 3.047 . 0 0 "[ . 1]" 1
1269 1 162 LEU H 1 162 LEU HA 2.650 . 3.500 2.839 2.818 2.853 . 0 0 "[ . 1]" 1
1270 1 162 LEU HA 1 162 LEU HG 2.650 . 3.500 2.463 2.409 2.520 . 0 0 "[ . 1]" 1
1271 1 162 LEU H 1 162 LEU HB3 2.400 . 3.000 2.739 2.715 2.779 . 0 0 "[ . 1]" 1
1272 1 162 LEU H 1 162 LEU HB2 2.400 . 3.000 2.148 2.133 2.166 . 0 0 "[ . 1]" 1
1273 1 162 LEU HA 1 162 LEU MD1 3.650 . 5.500 3.785 3.759 3.807 . 0 0 "[ . 1]" 1
1274 1 162 LEU H 1 162 LEU MD1 3.400 . 5.000 4.133 4.082 4.176 . 0 0 "[ . 1]" 1
1275 1 162 LEU HB3 1 162 LEU MD1 3.400 . 5.000 2.359 2.297 2.429 . 0 0 "[ . 1]" 1
1276 1 162 LEU HA 1 162 LEU MD2 3.650 . 5.500 2.506 2.396 2.688 . 0 0 "[ . 1]" 1
1277 1 162 LEU H 1 162 LEU MD2 3.400 . 5.000 4.177 4.167 4.186 . 0 0 "[ . 1]" 1
1278 1 162 LEU H 1 163 ASP H 2.400 . 3.000 2.917 2.868 3.014 0.014 6 0 "[ . 1]" 1
1279 1 162 LEU HA 1 165 HIS HB2 3.150 . 4.500 2.948 2.825 3.143 . 0 0 "[ . 1]" 1
1280 1 138 TYR HB2 1 163 ASP H 2.900 . 4.000 3.191 2.654 3.941 . 0 0 "[ . 1]" 1
1281 1 162 LEU HB3 1 163 ASP H 2.400 . 3.000 2.262 2.200 2.300 . 0 0 "[ . 1]" 1
1282 1 162 LEU HB2 1 163 ASP H 2.650 . 3.500 3.511 3.486 3.525 0.025 8 0 "[ . 1]" 1
1283 1 162 LEU MD1 1 163 ASP H 3.400 . 5.000 4.187 4.155 4.203 . 0 0 "[ . 1]" 1
1284 1 162 LEU MD2 1 163 ASP H 2.900 . 4.000 3.189 3.026 3.287 . 0 0 "[ . 1]" 1
1285 1 163 ASP H 1 163 ASP HA 2.400 . 3.000 2.875 2.868 2.881 . 0 0 "[ . 1]" 1
1286 1 163 ASP H 1 163 ASP QB 2.550 . 3.300 2.222 2.084 2.450 . 0 0 "[ . 1]" 1
1287 1 163 ASP H 1 164 GLU H 2.150 . 2.500 2.567 2.558 2.576 0.076 7 0 "[ . 1]" 1
1288 1 163 ASP QB 1 164 GLU H 2.800 . 3.800 2.863 2.675 3.457 . 0 0 "[ . 1]" 1
1289 1 164 GLU H 1 164 GLU HA 2.650 . 3.500 2.897 2.891 2.906 . 0 0 "[ . 1]" 1
1290 1 164 GLU H 1 164 GLU HB3 2.650 . 3.500 2.773 2.693 2.932 . 0 0 "[ . 1]" 1
1291 1 164 GLU H 1 164 GLU HB2 2.400 . 3.000 2.179 2.078 2.231 . 0 0 "[ . 1]" 1
1292 1 164 GLU H 1 164 GLU QG 3.050 . 4.300 3.823 3.729 3.855 . 0 0 "[ . 1]" 1
1293 1 164 GLU H 1 165 HIS H 2.150 . 2.500 2.544 2.506 2.570 0.070 6 0 "[ . 1]" 1
1294 1 162 LEU HA 1 165 HIS H 2.400 . 3.000 3.277 3.239 3.346 0.346 6 0 "[ . 1]" 1
1295 1 165 HIS H 1 165 HIS HA 2.400 . 3.000 2.940 2.932 2.945 . 0 0 "[ . 1]" 1
1296 1 165 HIS HA 1 165 HIS HB3 2.400 . 3.000 2.961 2.941 2.989 . 0 0 "[ . 1]" 1
1297 1 165 HIS H 1 165 HIS HB3 2.400 . 3.000 2.930 2.828 3.002 0.002 5 0 "[ . 1]" 1
1298 1 165 HIS HA 1 165 HIS HB2 2.650 . 3.500 2.751 2.703 2.785 . 0 0 "[ . 1]" 1
1299 1 165 HIS H 1 165 HIS HB2 2.400 . 3.000 2.106 2.074 2.158 . 0 0 "[ . 1]" 1
1300 1 165 HIS HA 1 168 ALA MB 3.150 . 4.500 2.114 2.009 2.272 . 0 0 "[ . 1]" 1
1301 1 163 ASP HA 1 166 SER H 2.400 . 3.000 3.145 3.104 3.217 0.217 7 0 "[ . 1]" 1
1302 1 165 HIS HB3 1 166 SER H 2.650 . 3.500 2.912 2.821 3.017 . 0 0 "[ . 1]" 1
1303 1 165 HIS HB2 1 166 SER H 2.650 . 3.500 3.532 3.500 3.588 0.088 2 0 "[ . 1]" 1
1304 1 166 SER H 1 166 SER HA 2.650 . 3.500 2.884 2.867 2.895 . 0 0 "[ . 1]" 1
1305 1 166 SER H 1 166 SER QB 2.550 . 3.300 2.216 1.927 2.785 . 0 0 "[ . 1]" 1
1306 1 164 GLU HA 1 167 GLN H 2.900 . 4.000 3.815 3.734 3.998 . 0 0 "[ . 1]" 1
1307 1 166 SER HA 1 167 GLN H 2.900 . 4.000 3.572 3.566 3.579 . 0 0 "[ . 1]" 1
1308 1 166 SER QB 1 167 GLN H 2.550 . 3.300 2.755 2.424 3.013 . 0 0 "[ . 1]" 1
1309 1 167 GLN H 1 167 GLN HA 2.400 . 3.000 2.913 2.902 2.922 . 0 0 "[ . 1]" 1
1310 1 167 GLN H 1 167 GLN QB 2.550 . 3.300 2.428 2.371 2.466 . 0 0 "[ . 1]" 1
1311 1 167 GLN H 1 167 GLN HG3 2.650 . 3.500 3.360 3.201 3.498 . 0 0 "[ . 1]" 1
1312 1 167 GLN HA 1 167 GLN HG2 3.150 . 4.500 3.722 3.672 3.767 . 0 0 "[ . 1]" 1
1313 1 167 GLN H 1 167 GLN HG2 2.650 . 3.500 2.027 1.962 2.144 . 0 0 "[ . 1]" 1
1314 1 165 HIS HA 1 168 ALA H 2.400 . 3.000 3.181 3.151 3.205 0.205 3 0 "[ . 1]" 1
1315 1 167 GLN H 1 168 ALA H 2.150 . 2.500 2.522 2.496 2.560 0.060 4 0 "[ . 1]" 1
1316 1 167 GLN HG3 1 168 ALA H 2.400 . 3.000 2.736 2.477 2.980 . 0 0 "[ . 1]" 1
1317 1 167 GLN HG2 1 168 ALA H 2.650 . 3.500 2.474 2.336 2.625 . 0 0 "[ . 1]" 1
1318 1 168 ALA H 1 168 ALA MB 2.650 . 3.500 2.147 2.098 2.171 . 0 0 "[ . 1]" 1
1319 1 168 ALA H 1 169 LEU H 2.150 . 2.500 2.533 2.515 2.569 0.069 6 0 "[ . 1]" 1
1320 1 166 SER HA 1 169 LEU H 2.650 . 3.500 3.625 3.591 3.649 0.149 6 0 "[ . 1]" 1
1321 1 168 ALA MB 1 169 LEU H 2.900 . 4.000 2.565 2.505 2.615 . 0 0 "[ . 1]" 1
1322 1 169 LEU H 1 169 LEU HA 2.400 . 3.000 2.928 2.908 2.938 . 0 0 "[ . 1]" 1
1323 1 169 LEU HA 1 169 LEU HG 3.400 . 5.000 2.925 2.731 3.596 . 0 0 "[ . 1]" 1
1324 1 169 LEU H 1 169 LEU HG 2.400 . 3.000 2.816 2.601 3.299 0.299 6 0 "[ . 1]" 1
1325 1 169 LEU H 1 169 LEU HB3 2.650 . 3.500 3.169 1.906 3.505 0.005 7 0 "[ . 1]" 1
1326 1 169 LEU H 1 169 LEU HB2 2.400 . 3.000 2.359 2.120 3.221 0.221 3 0 "[ . 1]" 1
1327 1 169 LEU HA 1 169 LEU MD1 3.150 . 4.500 3.540 2.620 3.782 . 0 0 "[ . 1]" 1
1328 1 169 LEU HA 1 169 LEU MD2 3.150 . 4.500 2.308 1.822 3.994 . 0 0 "[ . 1]" 1
1329 1 169 LEU H 1 169 LEU MD2 3.150 . 4.500 3.761 3.689 3.786 . 0 0 "[ . 1]" 1
1330 1 169 LEU H 1 170 SER H 2.400 . 3.000 2.435 2.372 2.484 . 0 0 "[ . 1]" 1
1331 1 169 LEU HA 1 172 ARG QB 3.050 . 4.300 2.415 2.221 2.510 . 0 0 "[ . 1]" 1
1332 1 135 ILE HB 1 170 SER HA 2.900 . 4.000 2.616 2.297 3.040 . 0 0 "[ . 1]" 1
1333 1 135 ILE HB 1 170 SER H 2.650 . 3.500 3.502 3.367 3.586 0.086 3 0 "[ . 1]" 1
1334 1 135 ILE MD 1 170 SER HA 3.150 . 4.500 3.456 3.168 3.592 . 0 0 "[ . 1]" 1
1335 1 135 ILE MD 1 170 SER H 3.650 . 5.500 4.594 4.529 4.639 . 0 0 "[ . 1]" 1
1336 1 135 ILE HG12 1 170 SER HA 2.400 . 3.000 2.294 1.885 2.567 . 0 0 "[ . 1]" 1
1337 1 135 ILE MG 1 170 SER H 2.900 . 4.000 2.744 2.436 3.100 . 0 0 "[ . 1]" 1
1338 1 167 GLN HA 1 170 SER H 2.400 . 3.000 3.106 3.073 3.133 0.133 7 0 "[ . 1]" 1
1339 1 169 LEU HB3 1 170 SER H 2.650 . 3.500 3.510 3.306 3.578 0.078 5 0 "[ . 1]" 1
1340 1 170 SER H 1 170 SER QB 2.550 . 3.300 2.126 2.053 2.176 . 0 0 "[ . 1]" 1
1341 1 170 SER H 1 171 GLY H 2.400 . 3.000 2.656 2.620 2.681 . 0 0 "[ . 1]" 1
1342 1 170 SER HA 1 173 LEU MD2 3.150 . 4.500 1.821 1.772 1.923 0.028 7 0 "[ . 1]" 1
1343 1 168 ALA HA 1 171 GLY H 2.650 . 3.500 3.624 3.583 3.651 0.151 10 0 "[ . 1]" 1
1344 1 171 GLY H 1 171 GLY HA3 2.150 . 2.500 2.359 2.354 2.363 . 0 0 "[ . 1]" 1
1345 1 169 LEU HA 1 172 ARG H 2.400 . 3.000 3.107 3.067 3.135 0.135 7 0 "[ . 1]" 1
1346 1 171 GLY H 1 172 ARG H 2.150 . 2.500 2.511 2.494 2.524 0.024 6 0 "[ . 1]" 1
1347 1 171 GLY HA3 1 172 ARG H 2.400 . 3.000 2.953 2.923 2.985 . 0 0 "[ . 1]" 1
1348 1 172 ARG H 1 172 ARG QB 2.550 . 3.300 2.237 2.117 2.334 . 0 0 "[ . 1]" 1
1349 1 172 ARG H 1 172 ARG HD3 2.900 . 4.000 3.967 3.731 4.042 0.042 7 0 "[ . 1]" 1
1350 1 172 ARG H 1 172 ARG HD2 2.900 . 4.000 3.841 3.472 4.014 0.014 8 0 "[ . 1]" 1
1351 1 172 ARG HA 1 172 ARG QG 3.050 . 4.300 2.587 2.281 2.867 . 0 0 "[ . 1]" 1
1352 1 172 ARG H 1 172 ARG QG 2.550 . 3.300 2.380 2.129 2.705 . 0 0 "[ . 1]" 1
1353 1 172 ARG H 1 173 LEU H 2.150 . 2.500 2.529 2.513 2.551 0.051 7 0 "[ . 1]" 1
1354 1 172 ARG HA 1 175 GLU HB2 2.900 . 4.000 2.246 2.090 2.432 . 0 0 "[ . 1]" 1
1355 1 135 ILE MD 1 173 LEU H 3.400 . 5.000 3.993 3.805 4.215 . 0 0 "[ . 1]" 1
1356 1 135 ILE HG13 1 173 LEU H 2.900 . 4.000 3.459 3.163 4.026 0.026 3 0 "[ . 1]" 1
1357 1 170 SER HA 1 173 LEU H 2.400 . 3.000 3.142 3.104 3.162 0.162 8 0 "[ . 1]" 1
1358 1 172 ARG QB 1 173 LEU H 2.800 . 3.800 2.892 2.808 2.950 . 0 0 "[ . 1]" 1
1359 1 173 LEU H 1 173 LEU HA 2.400 . 3.000 2.875 2.865 2.881 . 0 0 "[ . 1]" 1
1360 1 173 LEU HA 1 173 LEU HG 2.650 . 3.500 3.556 3.550 3.562 0.062 6 0 "[ . 1]" 1
1361 1 173 LEU H 1 173 LEU HG 2.400 . 3.000 3.220 3.205 3.231 0.231 7 0 "[ . 1]" 1
1362 1 173 LEU HA 1 173 LEU HB3 2.650 . 3.500 2.808 2.803 2.813 . 0 0 "[ . 1]" 1
1363 1 173 LEU H 1 173 LEU HB3 2.650 . 3.500 1.845 1.839 1.852 . 0 0 "[ . 1]" 1
1364 1 173 LEU HB3 1 173 LEU MD2 2.900 . 4.000 2.139 2.115 2.171 . 0 0 "[ . 1]" 1
1365 1 173 LEU HA 1 173 LEU HB2 2.650 . 3.500 2.264 2.259 2.269 . 0 0 "[ . 1]" 1
1366 1 173 LEU H 1 173 LEU HB2 2.400 . 3.000 3.210 3.204 3.219 0.219 2 0 "[ . 1]" 1
1367 1 173 LEU HA 1 173 LEU MD1 2.900 . 4.000 2.972 2.862 3.090 . 0 0 "[ . 1]" 1
1368 1 173 LEU H 1 173 LEU MD2 2.900 . 4.000 3.388 3.373 3.395 . 0 0 "[ . 1]" 1
1369 1 173 LEU H 1 174 GLY H 2.400 . 3.000 2.569 2.548 2.611 . 0 0 "[ . 1]" 1
1370 1 171 GLY HA2 1 174 GLY H 2.650 . 3.500 3.575 3.543 3.610 0.110 8 0 "[ . 1]" 1
1371 1 173 LEU HG 1 174 GLY H 2.650 . 3.500 2.003 1.951 2.043 . 0 0 "[ . 1]" 1
1372 1 173 LEU HB3 1 174 GLY H 2.400 . 3.000 3.191 3.183 3.199 0.199 6 0 "[ . 1]" 1
1373 1 173 LEU MD2 1 174 GLY H 3.150 . 4.500 3.483 3.438 3.516 . 0 0 "[ . 1]" 1
1374 1 174 GLY H 1 174 GLY HA3 2.400 . 3.000 2.372 2.368 2.378 . 0 0 "[ . 1]" 1
1375 1 174 GLY H 1 174 GLY HA2 2.400 . 3.000 2.920 2.912 2.929 . 0 0 "[ . 1]" 1
1376 1 174 GLY HA2 1 177 LEU HB3 2.650 . 3.500 3.376 3.185 3.506 0.006 10 0 "[ . 1]" 1
1377 1 172 ARG HA 1 175 GLU H 2.650 . 3.500 3.253 3.203 3.348 . 0 0 "[ . 1]" 1
1378 1 174 GLY H 1 175 GLU H 2.150 . 2.500 2.500 2.456 2.547 0.047 7 0 "[ . 1]" 1
1379 1 174 GLY HA3 1 175 GLU H 2.400 . 3.000 2.966 2.858 3.007 0.007 6 0 "[ . 1]" 1
1380 1 175 GLU H 1 175 GLU HA 2.400 . 3.000 2.912 2.906 2.916 . 0 0 "[ . 1]" 1
1381 1 175 GLU HA 1 175 GLU HB2 2.400 . 3.000 3.010 2.985 3.033 0.033 9 0 "[ . 1]" 1
1382 1 175 GLU H 1 175 GLU HB2 2.150 . 2.500 2.141 2.057 2.278 . 0 0 "[ . 1]" 1
1383 1 175 GLU H 1 175 GLU QG 2.550 . 3.300 2.721 2.436 2.949 . 0 0 "[ . 1]" 1
1384 1 175 GLU H 1 176 ILE H 2.150 . 2.500 2.527 2.516 2.542 0.042 4 0 "[ . 1]" 1
1385 1 173 LEU HA 1 176 ILE HB 3.900 . 6.000 2.955 2.425 3.200 . 0 0 "[ . 1]" 1
1386 1 173 LEU HA 1 176 ILE H 2.650 . 3.500 3.547 3.518 3.579 0.079 3 0 "[ . 1]" 1
1387 1 173 LEU HA 1 176 ILE MD 4.150 . 6.500 1.885 1.772 2.029 0.028 6 0 "[ . 1]" 1
1388 1 175 GLU HA 1 176 ILE H 2.650 . 3.500 3.509 3.500 3.518 0.018 6 0 "[ . 1]" 1
1389 1 175 GLU HB2 1 176 ILE H 2.650 . 3.500 3.089 2.978 3.178 . 0 0 "[ . 1]" 1
1390 1 176 ILE H 1 176 ILE HA 2.650 . 3.500 2.864 2.857 2.870 . 0 0 "[ . 1]" 1
1391 1 176 ILE HA 1 176 ILE HB 2.650 . 3.500 3.007 2.976 3.020 . 0 0 "[ . 1]" 1
1392 1 176 ILE H 1 176 ILE HB 2.400 . 3.000 2.141 2.037 2.191 . 0 0 "[ . 1]" 1
1393 1 176 ILE HA 1 176 ILE HG13 3.400 . 5.000 2.462 2.398 2.517 . 0 0 "[ . 1]" 1
1394 1 176 ILE H 1 176 ILE HG13 2.400 . 3.000 2.704 2.590 2.941 . 0 0 "[ . 1]" 1
1395 1 176 ILE HA 1 176 ILE MG 2.900 . 4.000 2.632 2.589 2.719 . 0 0 "[ . 1]" 1
1396 1 176 ILE H 1 177 LEU H 2.400 . 3.000 2.652 2.616 2.678 . 0 0 "[ . 1]" 1
1397 1 174 GLY HA2 1 177 LEU H 2.650 . 3.500 3.617 3.591 3.636 0.136 1 0 "[ . 1]" 1
1398 1 176 ILE HA 1 177 LEU H 2.650 . 3.500 3.561 3.550 3.573 0.073 3 0 "[ . 1]" 1
1399 1 176 ILE HB 1 177 LEU H 2.400 . 3.000 2.716 2.593 2.914 . 0 0 "[ . 1]" 1
1400 1 176 ILE MG 1 177 LEU H 2.650 . 3.500 2.949 2.919 2.972 . 0 0 "[ . 1]" 1
1401 1 177 LEU H 1 177 LEU HA 2.400 . 3.000 2.943 2.934 2.949 . 0 0 "[ . 1]" 1
1402 1 177 LEU HA 1 177 LEU HB3 2.650 . 3.500 2.959 2.951 2.965 . 0 0 "[ . 1]" 1
1403 1 177 LEU H 1 177 LEU HB3 2.150 . 2.500 2.001 1.991 2.016 . 0 0 "[ . 1]" 1
1404 1 177 LEU HB3 1 177 LEU MD1 2.900 . 4.000 2.652 2.614 2.682 . 0 0 "[ . 1]" 1
1405 1 177 LEU HA 1 177 LEU HB2 2.650 . 3.500 2.284 2.276 2.290 . 0 0 "[ . 1]" 1
1406 1 177 LEU H 1 177 LEU HB2 2.400 . 3.000 3.094 3.078 3.126 0.126 3 0 "[ . 1]" 1
1407 1 177 LEU HA 1 177 LEU MD1 3.650 . 5.500 3.648 3.604 3.674 . 0 0 "[ . 1]" 1
1408 1 177 LEU HA 1 177 LEU MD2 3.650 . 5.500 3.674 3.646 3.741 . 0 0 "[ . 1]" 1
1409 1 177 LEU H 1 177 LEU MD2 2.650 . 3.500 2.991 2.970 3.001 . 0 0 "[ . 1]" 1
1410 1 177 LEU H 1 178 ARG H 2.150 . 2.500 2.416 2.378 2.444 . 0 0 "[ . 1]" 1
1411 1 175 GLU HA 1 178 ARG H 2.150 . 2.500 2.719 2.694 2.736 0.236 7 0 "[ . 1]" 1
1412 1 177 LEU MD2 1 178 ARG H 2.900 . 4.000 2.513 2.328 2.749 . 0 0 "[ . 1]" 1
1413 1 178 ARG H 1 178 ARG HB2 2.400 . 3.000 2.503 2.109 3.271 0.271 6 0 "[ . 1]" 1
1414 1 178 ARG H 1 178 ARG QD 3.300 . 4.800 3.885 3.288 4.315 . 0 0 "[ . 1]" 1
1415 1 178 ARG H 1 178 ARG QG 2.550 . 3.300 2.881 2.449 3.019 . 0 0 "[ . 1]" 1
1416 1 178 ARG H 1 179 HIS H 2.150 . 2.500 2.570 2.539 2.639 0.139 3 0 "[ . 1]" 1
1417 1 178 ARG HA 1 179 HIS H 2.650 . 3.500 3.501 3.048 3.572 0.072 5 0 "[ . 1]" 1
1418 1 178 ARG QD 1 179 HIS H 3.300 . 4.800 4.231 3.588 4.361 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 96.385
_Distance_constraint_stats_list.Viol_max 0.572
_Distance_constraint_stats_list.Viol_rms 0.0561
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.0838
_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 25 CYS 0.000 0.000 . 0 "[ . 1]"
1 26 TYR 0.051 0.031 9 0 "[ . 1]"
1 27 GLU 0.020 0.020 8 0 "[ . 1]"
1 29 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 GLY 0.051 0.031 9 0 "[ . 1]"
1 74 TYR 0.133 0.041 10 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 VAL 0.000 0.000 . 0 "[ . 1]"
1 77 THR 0.020 0.020 8 0 "[ . 1]"
1 78 TRP 0.000 0.000 . 0 "[ . 1]"
1 79 TYR 0.000 0.000 . 0 "[ . 1]"
1 80 ILE 0.194 0.067 7 0 "[ . 1]"
1 81 SER 0.213 0.103 5 0 "[ . 1]"
1 84 PRO 4.484 0.572 10 4 "[ - ** +]"
1 85 CYS 0.401 0.185 3 0 "[ . 1]"
1 86 THR 1.841 0.198 7 0 "[ . 1]"
1 87 LYS 0.000 0.000 . 0 "[ . 1]"
1 88 CYS 4.549 0.572 10 4 "[ - ** +]"
1 89 ALA 0.401 0.185 3 0 "[ . 1]"
1 90 ARG 1.841 0.198 7 0 "[ . 1]"
1 91 ASP 0.303 0.119 4 0 "[ . 1]"
1 92 MET 0.066 0.066 9 0 "[ . 1]"
1 95 PHE 0.303 0.119 4 0 "[ . 1]"
1 96 LEU 0.000 0.000 . 0 "[ . 1]"
1 101 HIS 0.133 0.041 10 0 "[ . 1]"
1 103 THR 0.000 0.000 . 0 "[ . 1]"
1 104 LEU 0.070 0.021 4 0 "[ . 1]"
1 105 THR 0.000 0.000 . 0 "[ . 1]"
1 106 ILE 0.045 0.029 7 0 "[ . 1]"
1 107 PHE 0.194 0.067 7 0 "[ . 1]"
1 108 VAL 0.224 0.074 3 0 "[ . 1]"
1 110 ARG 0.213 0.103 5 0 "[ . 1]"
1 120 GLN 0.255 0.083 8 0 "[ . 1]"
1 122 ALA 0.431 0.107 9 0 "[ . 1]"
1 124 ARG 0.255 0.083 8 0 "[ . 1]"
1 125 SER 0.589 0.120 1 0 "[ . 1]"
1 126 LEU 0.431 0.107 9 0 "[ . 1]"
1 128 GLN 0.000 0.000 . 0 "[ . 1]"
1 129 ALA 0.589 0.120 1 0 "[ . 1]"
1 132 THR 0.070 0.021 4 0 "[ . 1]"
1 134 LYS 0.160 0.029 7 0 "[ . 1]"
1 136 MET 0.109 0.074 3 0 "[ . 1]"
1 137 ASN 0.107 0.075 8 0 "[ . 1]"
1 141 PHE 0.107 0.075 8 0 "[ . 1]"
1 164 GLU 0.213 0.046 10 0 "[ . 1]"
1 168 ALA 0.213 0.046 10 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 25 CYS N 1 79 TYR O 2.900 2.500 3.300 2.959 2.878 3.041 . 0 0 "[ . 1]" 2
2 1 25 CYS H 1 79 TYR O 1.900 . 2.300 2.181 2.060 2.260 . 0 0 "[ . 1]" 2
3 1 26 TYR N 1 45 GLY O 2.900 2.500 3.300 3.084 2.920 3.268 . 0 0 "[ . 1]" 2
4 1 26 TYR H 1 45 GLY O 1.900 . 2.300 2.167 1.980 2.331 0.031 9 0 "[ . 1]" 2
5 1 27 GLU N 1 77 THR O 2.900 2.500 3.300 2.982 2.814 3.137 . 0 0 "[ . 1]" 2
6 1 27 GLU H 1 77 THR O 1.900 . 2.300 2.116 1.950 2.320 0.020 8 0 "[ . 1]" 2
7 1 29 LYS N 1 75 GLU O 2.900 2.500 3.300 2.812 2.702 2.970 . 0 0 "[ . 1]" 2
8 1 29 LYS H 1 75 GLU O 1.900 . 2.300 1.887 1.772 2.076 . 0 0 "[ . 1]" 2
9 1 74 TYR N 1 101 HIS O 2.900 2.500 3.300 3.166 2.974 3.321 0.021 10 0 "[ . 1]" 2
10 1 74 TYR H 1 101 HIS O 1.900 . 2.300 2.265 2.096 2.341 0.041 10 0 "[ . 1]" 2
11 1 29 LYS O 1 75 GLU N 2.900 2.500 3.300 2.790 2.693 2.976 . 0 0 "[ . 1]" 2
12 1 29 LYS O 1 75 GLU H 1.900 . 2.300 1.895 1.733 2.085 . 0 0 "[ . 1]" 2
13 1 76 VAL N 1 103 THR O 2.900 2.500 3.300 2.876 2.829 2.952 . 0 0 "[ . 1]" 2
14 1 76 VAL H 1 103 THR O 1.900 . 2.300 1.937 1.869 2.018 . 0 0 "[ . 1]" 2
15 1 27 GLU O 1 77 THR N 2.900 2.500 3.300 3.104 2.887 3.223 . 0 0 "[ . 1]" 2
16 1 27 GLU O 1 77 THR H 1.900 . 2.300 2.165 1.939 2.285 . 0 0 "[ . 1]" 2
17 1 78 TRP N 1 105 THR O 2.900 2.500 3.300 2.712 2.640 2.783 . 0 0 "[ . 1]" 2
18 1 78 TRP H 1 105 THR O 1.900 . 2.300 1.753 1.690 1.810 . 0 0 "[ . 1]" 2
19 1 25 CYS O 1 79 TYR N 2.900 2.500 3.300 2.755 2.634 2.863 . 0 0 "[ . 1]" 2
20 1 25 CYS O 1 79 TYR H 1.900 . 2.300 1.805 1.684 1.925 . 0 0 "[ . 1]" 2
21 1 80 ILE N 1 107 PHE O 2.900 2.500 3.300 3.079 2.839 3.209 . 0 0 "[ . 1]" 2
22 1 80 ILE H 1 107 PHE O 1.900 . 2.300 2.247 2.006 2.367 0.067 7 0 "[ . 1]" 2
23 1 74 TYR O 1 103 THR N 2.900 2.500 3.300 2.743 2.651 2.856 . 0 0 "[ . 1]" 2
24 1 74 TYR O 1 103 THR H 1.900 . 2.300 1.818 1.718 1.933 . 0 0 "[ . 1]" 2
25 1 76 VAL O 1 105 THR N 2.900 2.500 3.300 2.756 2.673 2.857 . 0 0 "[ . 1]" 2
26 1 76 VAL O 1 105 THR H 1.900 . 2.300 1.916 1.872 1.979 . 0 0 "[ . 1]" 2
27 1 106 ILE N 1 132 THR O 2.900 2.500 3.300 2.656 2.613 2.718 . 0 0 "[ . 1]" 2
28 1 106 ILE H 1 132 THR O 1.900 . 2.300 2.166 2.068 2.257 . 0 0 "[ . 1]" 2
29 1 78 TRP O 1 107 PHE N 2.900 2.500 3.300 2.696 2.630 2.802 . 0 0 "[ . 1]" 2
30 1 78 TRP O 1 107 PHE H 1.900 . 2.300 1.920 1.730 2.141 . 0 0 "[ . 1]" 2
31 1 108 VAL N 1 134 LYS O 2.900 2.500 3.300 3.155 3.022 3.231 . 0 0 "[ . 1]" 2
32 1 108 VAL H 1 134 LYS O 1.900 . 2.300 2.251 2.129 2.329 0.029 3 0 "[ . 1]" 2
33 1 81 SER O 1 110 ARG N 2.900 2.500 3.300 3.043 2.681 3.266 . 0 0 "[ . 1]" 2
34 1 81 SER O 1 110 ARG H 1.900 . 2.300 2.248 1.848 2.403 0.103 5 0 "[ . 1]" 2
35 1 104 LEU O 1 132 THR N 2.900 2.500 3.300 2.500 2.479 2.531 0.021 4 0 "[ . 1]" 2
36 1 104 LEU O 1 132 THR H 1.900 . 2.300 1.733 1.708 1.775 . 0 0 "[ . 1]" 2
37 1 106 ILE O 1 134 LYS N 2.900 2.500 3.300 3.158 3.097 3.227 . 0 0 "[ . 1]" 2
38 1 106 ILE O 1 134 LYS H 1.900 . 2.300 2.237 2.157 2.329 0.029 7 0 "[ . 1]" 2
39 1 108 VAL O 1 136 MET N 2.900 2.500 3.300 3.059 2.821 3.265 . 0 0 "[ . 1]" 2
40 1 108 VAL O 1 136 MET H 1.900 . 2.300 2.152 1.884 2.374 0.074 3 0 "[ . 1]" 2
41 1 84 PRO O 1 88 CYS N 2.900 2.500 3.300 3.376 3.209 3.488 0.188 5 0 "[ . 1]" 2
42 1 84 PRO O 1 88 CYS H 1.900 . 2.300 2.656 2.459 2.872 0.572 10 4 "[ - ** +]" 2
43 1 85 CYS O 1 89 ALA N 2.900 2.500 3.300 2.989 2.607 3.322 0.022 3 0 "[ . 1]" 2
44 1 85 CYS O 1 89 ALA H 1.900 . 2.300 2.144 1.775 2.485 0.185 3 0 "[ . 1]" 2
45 1 86 THR O 1 90 ARG N 2.900 2.500 3.300 3.330 3.273 3.392 0.092 10 0 "[ . 1]" 2
46 1 86 THR O 1 90 ARG H 1.900 . 2.300 2.450 2.411 2.498 0.198 7 0 "[ . 1]" 2
47 1 87 LYS O 1 91 ASP N 2.900 2.500 3.300 2.948 2.767 3.100 . 0 0 "[ . 1]" 2
48 1 87 LYS O 1 91 ASP H 1.900 . 2.300 2.008 1.839 2.144 . 0 0 "[ . 1]" 2
49 1 88 CYS O 1 92 MET N 2.900 2.500 3.300 2.834 2.566 3.211 . 0 0 "[ . 1]" 2
50 1 88 CYS O 1 92 MET H 1.900 . 2.300 2.047 1.841 2.366 0.066 9 0 "[ . 1]" 2
51 1 91 ASP O 1 95 PHE N 2.900 2.500 3.300 3.104 2.915 3.296 . 0 0 "[ . 1]" 2
52 1 91 ASP O 1 95 PHE H 1.900 . 2.300 2.241 2.059 2.419 0.119 4 0 "[ . 1]" 2
53 1 92 MET O 1 96 LEU N 2.900 2.500 3.300 3.043 2.867 3.162 . 0 0 "[ . 1]" 2
54 1 92 MET O 1 96 LEU H 1.900 . 2.300 2.071 1.887 2.188 . 0 0 "[ . 1]" 2
55 1 120 GLN O 1 124 ARG N 2.900 2.500 3.300 3.139 3.038 3.258 . 0 0 "[ . 1]" 2
56 1 120 GLN O 1 124 ARG H 1.900 . 2.300 2.314 2.209 2.383 0.083 8 0 "[ . 1]" 2
57 1 122 ALA O 1 126 LEU N 2.900 2.500 3.300 3.107 2.828 3.266 . 0 0 "[ . 1]" 2
58 1 122 ALA O 1 126 LEU H 1.900 . 2.300 2.230 1.929 2.407 0.107 9 0 "[ . 1]" 2
59 1 124 ARG O 1 128 GLN N 2.900 2.500 3.300 2.868 2.748 2.997 . 0 0 "[ . 1]" 2
60 1 124 ARG O 1 128 GLN H 1.900 . 2.300 2.102 1.979 2.218 . 0 0 "[ . 1]" 2
61 1 125 SER O 1 129 ALA N 2.900 2.500 3.300 3.184 3.142 3.255 . 0 0 "[ . 1]" 2
62 1 125 SER O 1 129 ALA H 1.900 . 2.300 2.359 2.313 2.420 0.120 1 0 "[ . 1]" 2
63 1 137 ASN O 1 141 PHE N 2.900 2.500 3.300 3.167 2.983 3.295 . 0 0 "[ . 1]" 2
64 1 137 ASN O 1 141 PHE H 1.900 . 2.300 2.238 2.039 2.375 0.075 8 0 "[ . 1]" 2
65 1 164 GLU O 1 168 ALA N 2.900 2.500 3.300 3.080 3.034 3.133 . 0 0 "[ . 1]" 2
66 1 164 GLU O 1 168 ALA H 1.900 . 2.300 2.317 2.259 2.346 0.046 10 0 "[ . 1]" 2
stop_
save_
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