NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418430 |
2e4j   |
10137 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e4j
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 898
_Distance_constraint_stats_list.Viol_count 2229
_Distance_constraint_stats_list.Viol_total 1402.092
_Distance_constraint_stats_list.Viol_max 0.646
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0419
_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 3 GLN 0.092 0.092 3 0 "[ . 1 .]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 7 THR 0.081 0.031 14 0 "[ . 1 .]"
1 8 VAL 0.052 0.031 14 0 "[ . 1 .]"
1 9 GLN 0.197 0.031 8 0 "[ . 1 .]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 12 PHE 0.075 0.015 8 0 "[ . 1 .]"
1 13 GLN 0.036 0.006 12 0 "[ . 1 .]"
1 14 GLN 0.007 0.007 3 0 "[ . 1 .]"
1 15 ASP 1.977 0.049 4 0 "[ . 1 .]"
1 16 LYS 0.534 0.049 4 0 "[ . 1 .]"
1 17 PHE 0.183 0.033 12 0 "[ . 1 .]"
1 18 LEU 0.213 0.027 12 0 "[ . 1 .]"
1 19 GLY 0.085 0.019 15 0 "[ . 1 .]"
1 20 ARG 1.186 0.100 12 0 "[ . 1 .]"
1 21 TRP 1.897 0.100 12 0 "[ . 1 .]"
1 22 TYR 2.691 0.150 14 0 "[ . 1 .]"
1 23 SER 1.121 0.120 8 0 "[ . 1 .]"
1 24 ALA 1.507 0.115 9 0 "[ . 1 .]"
1 25 GLY 0.732 0.076 9 0 "[ . 1 .]"
1 26 LEU 2.495 0.117 14 0 "[ . 1 .]"
1 27 ALA 1.365 0.093 14 0 "[ . 1 .]"
1 28 SER 1.109 0.062 4 0 "[ . 1 .]"
1 29 ASN 0.757 0.063 14 0 "[ . 1 .]"
1 30 SER 0.029 0.013 3 0 "[ . 1 .]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 34 ARG 1.081 0.160 6 0 "[ . 1 .]"
1 35 GLU 0.362 0.050 13 0 "[ . 1 .]"
1 36 LYS 0.271 0.093 10 0 "[ . 1 .]"
1 37 LYS 1.670 0.107 3 0 "[ . 1 .]"
1 38 ALA 1.496 0.093 10 0 "[ . 1 .]"
1 39 VAL 0.463 0.036 5 0 "[ . 1 .]"
1 40 LEU 0.547 0.107 3 0 "[ . 1 .]"
1 41 TYR 0.159 0.021 4 0 "[ . 1 .]"
1 42 MET 0.048 0.013 13 0 "[ . 1 .]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 45 THR 0.378 0.055 14 0 "[ . 1 .]"
1 46 VAL 0.216 0.035 11 0 "[ . 1 .]"
1 47 VAL 0.280 0.035 6 0 "[ . 1 .]"
1 48 ALA 0.232 0.033 13 0 "[ . 1 .]"
1 49 PRO 0.321 0.053 6 0 "[ . 1 .]"
1 50 SER 2.179 0.068 2 0 "[ . 1 .]"
1 51 THR 0.315 0.091 2 0 "[ . 1 .]"
1 52 GLU 0.343 0.037 4 0 "[ . 1 .]"
1 53 GLY 0.322 0.037 4 0 "[ . 1 .]"
1 54 GLY 3.146 0.136 12 0 "[ . 1 .]"
1 55 LEU 1.788 0.136 12 0 "[ . 1 .]"
1 56 ASN 0.241 0.037 5 0 "[ . 1 .]"
1 57 LEU 0.223 0.035 6 0 "[ . 1 .]"
1 58 THR 0.001 0.001 15 0 "[ . 1 .]"
1 59 SER 0.573 0.055 14 0 "[ . 1 .]"
1 60 THR 0.236 0.059 9 0 "[ . 1 .]"
1 61 PHE 1.361 0.109 6 0 "[ . 1 .]"
1 62 LEU 2.738 0.167 2 0 "[ . 1 .]"
1 63 ARG 0.090 0.042 11 0 "[ . 1 .]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 66 GLN 0.514 0.051 4 0 "[ . 1 .]"
1 67 ALA 0.251 0.046 2 0 "[ . 1 .]"
1 68 GLU 0.227 0.039 8 0 "[ . 1 .]"
1 69 THR 0.156 0.059 9 0 "[ . 1 .]"
1 70 LYS 0.394 0.038 6 0 "[ . 1 .]"
1 71 ILE 0.135 0.026 8 0 "[ . 1 .]"
1 72 MET 1.520 0.062 13 0 "[ . 1 .]"
1 73 VAL 0.852 0.117 15 0 "[ . 1 .]"
1 74 LEU 0.635 0.117 15 0 "[ . 1 .]"
1 75 GLN 2.068 0.101 8 0 "[ . 1 .]"
1 76 PRO 0.844 0.079 11 0 "[ . 1 .]"
1 77 ALA 1.138 0.108 4 0 "[ . 1 .]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 79 ALA 0.191 0.014 2 0 "[ . 1 .]"
1 80 PRO 0.134 0.015 8 0 "[ . 1 .]"
1 81 GLY 1.137 0.064 7 0 "[ . 1 .]"
1 82 HIS 0.875 0.064 7 0 "[ . 1 .]"
1 83 TYR 7.817 0.646 11 7 "[ . **+***-]"
1 84 THR 0.019 0.009 6 0 "[ . 1 .]"
1 85 TYR 0.031 0.011 10 0 "[ . 1 .]"
1 86 SER 0.211 0.030 4 0 "[ . 1 .]"
1 90 SER 0.747 0.047 14 0 "[ . 1 .]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 92 SER 2.898 0.213 9 0 "[ . 1 .]"
1 93 ILE 0.047 0.030 4 0 "[ . 1 .]"
1 94 HIS 0.145 0.029 14 0 "[ . 1 .]"
1 95 SER 0.156 0.025 1 0 "[ . 1 .]"
1 96 VAL 0.757 0.084 1 0 "[ . 1 .]"
1 97 SER 0.786 0.049 1 0 "[ . 1 .]"
1 98 VAL 0.033 0.009 12 0 "[ . 1 .]"
1 99 VAL 0.473 0.032 12 0 "[ . 1 .]"
1 100 GLU 0.183 0.032 15 0 "[ . 1 .]"
1 101 ALA 0.059 0.020 4 0 "[ . 1 .]"
1 102 ASN 0.287 0.053 4 0 "[ . 1 .]"
1 105 GLU 0.726 0.066 15 0 "[ . 1 .]"
1 106 TYR 1.675 0.120 8 0 "[ . 1 .]"
1 107 ALA 0.285 0.036 12 0 "[ . 1 .]"
1 108 LEU 0.068 0.017 12 0 "[ . 1 .]"
1 109 LEU 0.081 0.019 11 0 "[ . 1 .]"
1 110 PHE 1.754 0.467 11 0 "[ . 1 .]"
1 111 SER 1.426 0.084 1 0 "[ . 1 .]"
1 112 ARG 0.110 0.025 1 0 "[ . 1 .]"
1 113 GLY 0.040 0.014 15 0 "[ . 1 .]"
1 114 THR 0.004 0.003 12 0 "[ . 1 .]"
1 115 LYS 2.193 0.213 9 0 "[ . 1 .]"
1 116 GLY 0.566 0.092 3 0 "[ . 1 .]"
1 119 GLN 0.198 0.066 6 0 "[ . 1 .]"
1 120 ASP 1.045 0.046 5 0 "[ . 1 .]"
1 121 PHE 0.093 0.017 11 0 "[ . 1 .]"
1 122 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 123 MET 1.298 0.062 4 0 "[ . 1 .]"
1 124 ALA 1.471 0.117 14 0 "[ . 1 .]"
1 125 THR 0.121 0.037 5 0 "[ . 1 .]"
1 126 LEU 1.826 0.115 9 0 "[ . 1 .]"
1 127 TYR 0.148 0.024 14 0 "[ . 1 .]"
1 128 SER 2.368 0.120 8 0 "[ . 1 .]"
1 129 ARG 6.787 0.561 8 3 "[ .* + 1 -.]"
1 130 THR 3.418 0.561 8 3 "[ .* + 1 -.]"
1 131 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 132 THR 1.834 0.124 11 0 "[ . 1 .]"
1 133 LEU 0.403 0.046 1 0 "[ . 1 .]"
1 134 LYS 4.797 0.329 1 0 "[ . 1 .]"
1 135 ASP 5.143 0.164 2 0 "[ . 1 .]"
1 136 GLU 5.193 0.188 5 0 "[ . 1 .]"
1 137 LEU 4.195 0.151 13 0 "[ . 1 .]"
1 138 LYS 3.632 0.164 2 0 "[ . 1 .]"
1 139 GLU 4.471 0.167 8 0 "[ . 1 .]"
1 140 LYS 0.274 0.035 11 0 "[ . 1 .]"
1 141 PHE 5.683 0.212 13 0 "[ . 1 .]"
1 142 THR 0.656 0.060 15 0 "[ . 1 .]"
1 143 THR 2.242 0.106 13 0 "[ . 1 .]"
1 144 PHE 0.647 0.095 1 0 "[ . 1 .]"
1 145 SER 2.153 0.115 8 0 "[ . 1 .]"
1 146 LYS 3.111 0.106 13 0 "[ . 1 .]"
1 147 ALA 0.193 0.019 12 0 "[ . 1 .]"
1 148 GLN 0.086 0.008 2 0 "[ . 1 .]"
1 149 GLY 0.303 0.035 9 0 "[ . 1 .]"
1 150 LEU 0.275 0.027 7 0 "[ . 1 .]"
1 151 THR 1.295 0.073 12 0 "[ . 1 .]"
1 152 GLU 0.268 0.031 3 0 "[ . 1 .]"
1 153 GLU 0.883 0.063 14 0 "[ . 1 .]"
1 154 ASP 0.645 0.073 12 0 "[ . 1 .]"
1 155 ILE 0.708 0.052 11 0 "[ . 1 .]"
1 156 VAL 2.316 0.179 9 0 "[ . 1 .]"
1 157 PHE 5.386 0.179 9 0 "[ . 1 .]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 159 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 160 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 161 PRO 0.290 0.059 15 0 "[ . 1 .]"
1 162 ASP 1.841 0.167 2 0 "[ . 1 .]"
1 163 LYS 1.113 0.094 13 0 "[ . 1 .]"
1 164 ALA 0.315 0.052 9 0 "[ . 1 .]"
1 165 ILE 0.146 0.047 11 0 "[ . 1 .]"
1 166 GLN 0.087 0.087 6 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 3 GLN HA 1 3 GLN HB2 2.800 . 2.800 2.664 2.567 2.786 . 0 0 "[ . 1 .]" 1
2 1 3 GLN HA 1 3 GLN HG3 3.400 . 3.400 2.531 2.052 3.492 0.092 3 0 "[ . 1 .]" 1
3 1 7 THR HA 1 7 THR HB 2.800 . 2.800 2.531 2.337 2.817 0.017 6 0 "[ . 1 .]" 1
4 1 7 THR HA 1 7 THR MG 3.400 . 3.400 2.352 1.983 2.623 . 0 0 "[ . 1 .]" 1
5 1 7 THR HA 1 8 VAL MG1 5.000 . 5.000 3.612 3.414 4.022 . 0 0 "[ . 1 .]" 1
6 1 10 PRO HA 1 10 PRO HB3 2.800 . 2.800 2.279 2.267 2.299 . 0 0 "[ . 1 .]" 1
7 1 11 ASN HA 1 11 ASN HB3 2.800 . 2.800 2.585 2.403 2.714 . 0 0 "[ . 1 .]" 1
8 1 13 GLN HA 1 13 GLN HG3 2.800 . 2.800 2.635 2.448 2.764 . 0 0 "[ . 1 .]" 1
9 1 12 PHE HE1 1 14 GLN HA 5.000 . 5.000 2.481 1.988 3.248 . 0 0 "[ . 1 .]" 1
10 1 15 ASP HA 1 15 ASP HB3 2.800 . 2.800 2.840 2.836 2.843 0.043 15 0 "[ . 1 .]" 1
11 1 15 ASP HA 1 15 ASP HB2 2.800 . 2.800 2.841 2.837 2.843 0.043 11 0 "[ . 1 .]" 1
12 1 14 GLN HA 1 17 PHE QD 5.000 . 5.000 3.420 2.545 4.190 . 0 0 "[ . 1 .]" 1
13 1 17 PHE HA 1 17 PHE QD 3.400 . 3.400 3.123 2.901 3.206 . 0 0 "[ . 1 .]" 1
14 1 15 ASP HA 1 18 LEU HB2 2.800 . 2.800 2.224 2.048 2.485 . 0 0 "[ . 1 .]" 1
15 1 15 ASP HA 1 18 LEU MD1 5.000 . 5.000 2.806 2.317 3.301 . 0 0 "[ . 1 .]" 1
16 1 20 ARG HD2 1 21 TRP HA 3.400 . 3.400 3.276 3.053 3.403 0.003 12 0 "[ . 1 .]" 1
17 1 26 LEU HA 1 26 LEU HG 3.400 . 3.400 2.244 2.135 2.433 . 0 0 "[ . 1 .]" 1
18 1 26 LEU HB3 1 27 ALA HA 5.000 . 5.000 4.338 4.250 4.502 . 0 0 "[ . 1 .]" 1
19 1 26 LEU MD2 1 27 ALA HA 5.000 . 5.000 4.180 3.278 5.016 0.016 4 0 "[ . 1 .]" 1
20 1 27 ALA HA 1 28 SER HA 5.000 . 5.000 4.393 4.373 4.411 . 0 0 "[ . 1 .]" 1
21 1 27 ALA MB 1 28 SER HA 5.000 . 5.000 3.987 3.963 4.003 . 0 0 "[ . 1 .]" 1
22 1 27 ALA HA 1 28 SER H . . 2.800 2.125 2.099 2.144 . 0 0 "[ . 1 .]" 1
23 1 28 SER HA 1 29 ASN HB3 5.000 . 5.000 4.946 4.693 5.014 0.014 12 0 "[ . 1 .]" 1
24 1 28 SER HA 1 29 ASN HB2 5.000 . 5.000 4.346 4.236 4.480 . 0 0 "[ . 1 .]" 1
25 1 34 ARG HA 1 34 ARG HB3 2.800 . 2.800 2.578 2.300 2.960 0.160 6 0 "[ . 1 .]" 1
26 1 34 ARG HA 1 34 ARG HD3 5.000 . 5.000 4.115 3.033 4.831 . 0 0 "[ . 1 .]" 1
27 1 35 GLU HA 1 35 GLU HB3 2.800 . 2.800 2.604 2.386 2.806 0.006 9 0 "[ . 1 .]" 1
28 1 33 PHE HA 1 36 LYS HB2 5.000 . 5.000 3.359 2.559 4.152 . 0 0 "[ . 1 .]" 1
29 1 34 ARG HA 1 37 LYS HB2 5.000 . 5.000 4.346 3.395 4.883 . 0 0 "[ . 1 .]" 1
30 1 34 ARG HA 1 37 LYS HD3 5.000 . 5.000 3.821 2.000 4.698 . 0 0 "[ . 1 .]" 1
31 1 37 LYS HA 1 37 LYS HD3 5.000 . 5.000 4.435 3.810 5.042 0.042 3 0 "[ . 1 .]" 1
32 1 39 VAL HA 1 39 VAL HB 2.800 . 2.800 2.523 2.465 2.631 . 0 0 "[ . 1 .]" 1
33 1 39 VAL HA 1 39 VAL MG1 3.400 . 3.400 2.234 2.115 2.385 . 0 0 "[ . 1 .]" 1
34 1 37 LYS HB2 1 40 LEU HA 5.000 . 5.000 5.032 5.005 5.107 0.107 3 0 "[ . 1 .]" 1
35 1 37 LYS HA 1 40 LEU HB3 5.000 . 5.000 2.949 2.104 4.487 . 0 0 "[ . 1 .]" 1
36 1 37 LYS HA 1 40 LEU MD1 5.000 . 5.000 4.270 2.215 5.006 0.006 2 0 "[ . 1 .]" 1
37 1 37 LYS HA 1 40 LEU HG 5.000 . 5.000 3.603 1.883 4.998 . 0 0 "[ . 1 .]" 1
38 1 22 TYR HA 1 44 LYS HA . 2.300 3.500 2.833 2.690 3.146 . 0 0 "[ . 1 .]" 1
39 1 20 ARG HB2 1 46 VAL HA 5.000 . 5.000 4.651 4.226 5.000 0.000 3 0 "[ . 1 .]" 1
40 1 45 THR MG 1 46 VAL HA 5.000 . 5.000 3.991 3.691 4.923 . 0 0 "[ . 1 .]" 1
41 1 46 VAL HA 1 47 VAL MG2 5.000 . 5.000 3.435 3.157 3.668 . 0 0 "[ . 1 .]" 1
42 1 47 VAL HA 1 47 VAL MG1 3.400 . 3.400 2.283 2.062 2.378 . 0 0 "[ . 1 .]" 1
43 1 47 VAL HA 1 47 VAL MG2 3.400 . 3.400 2.541 2.380 3.133 . 0 0 "[ . 1 .]" 1
44 1 18 LEU MD2 1 48 ALA HA 5.000 . 5.000 3.021 2.490 3.491 . 0 0 "[ . 1 .]" 1
45 1 47 VAL HB 1 48 ALA HA 5.000 . 5.000 4.456 3.990 4.558 . 0 0 "[ . 1 .]" 1
46 1 48 ALA HA 1 49 PRO HG2 5.000 . 5.000 4.475 4.067 4.646 . 0 0 "[ . 1 .]" 1
47 1 49 PRO HB2 1 50 SER HA 5.000 . 5.000 4.532 4.413 4.688 . 0 0 "[ . 1 .]" 1
48 1 50 SER HA 1 50 SER HB3 2.800 . 2.800 2.836 2.817 2.855 0.055 6 0 "[ . 1 .]" 1
49 1 50 SER HA 1 50 SER HB2 2.800 . 2.800 2.832 2.816 2.849 0.049 3 0 "[ . 1 .]" 1
50 1 50 SER HA 1 51 THR MG 5.000 . 5.000 3.869 3.533 4.406 . 0 0 "[ . 1 .]" 1
51 1 51 THR HA 1 51 THR HB 2.800 . 2.800 2.516 2.394 2.696 . 0 0 "[ . 1 .]" 1
52 1 51 THR HA 1 51 THR MG 2.800 . 2.800 2.325 2.062 2.534 . 0 0 "[ . 1 .]" 1
53 1 51 THR HA 1 52 GLU HG3 5.000 . 5.000 4.907 4.621 5.023 0.023 14 0 "[ . 1 .]" 1
54 1 52 GLU HA 1 52 GLU HG3 2.800 . 2.800 2.649 2.430 2.809 0.009 12 0 "[ . 1 .]" 1
55 1 52 GLU HB3 1 53 GLY HA3 5.000 . 5.000 4.003 3.880 4.169 . 0 0 "[ . 1 .]" 1
56 1 52 GLU HB3 1 53 GLY HA2 5.000 . 5.000 4.795 4.626 5.026 0.026 2 0 "[ . 1 .]" 1
57 1 52 GLU HB2 1 53 GLY HA2 5.000 . 5.000 4.870 4.672 5.037 0.037 4 0 "[ . 1 .]" 1
58 1 49 PRO HA 1 55 LEU HA . 2.300 3.400 2.315 2.261 2.443 0.039 6 0 "[ . 1 .]" 1
59 1 49 PRO HA 1 55 LEU MD1 5.000 . 5.000 2.984 1.956 3.860 . 0 0 "[ . 1 .]" 1
60 1 55 LEU HA 1 55 LEU MD1 3.400 . 3.400 3.009 2.410 3.407 0.007 2 0 "[ . 1 .]" 1
61 1 47 VAL HA 1 57 LEU HA . . 2.800 2.765 2.419 2.828 0.028 15 0 "[ . 1 .]" 1
62 1 47 VAL MG1 1 57 LEU HA 5.000 . 5.000 4.209 3.667 4.404 . 0 0 "[ . 1 .]" 1
63 1 47 VAL MG2 1 57 LEU HA 5.000 . 5.000 4.419 4.163 5.035 0.035 6 0 "[ . 1 .]" 1
64 1 60 THR HA 1 60 THR MG 3.400 . 3.400 2.600 1.999 3.222 . 0 0 "[ . 1 .]" 1
65 1 41 TYR HA 1 61 PHE HB2 5.000 . 5.000 4.934 4.664 5.021 0.021 4 0 "[ . 1 .]" 1
66 1 43 CYS HA 1 61 PHE HA . . 4.000 2.885 2.450 3.340 . 0 0 "[ . 1 .]" 1
67 1 61 PHE HA 1 61 PHE HD1 5.000 . 5.000 3.255 2.743 4.030 . 0 0 "[ . 1 .]" 1
68 1 41 TYR HA 1 63 ARG HA 5.000 . 5.000 3.461 3.057 4.284 . 0 0 "[ . 1 .]" 1
69 1 66 GLN HA 1 67 ALA HA 5.000 . 5.000 4.390 4.295 4.505 . 0 0 "[ . 1 .]" 1
70 1 66 GLN HA 1 67 ALA MB 5.000 . 5.000 4.047 3.816 4.228 . 0 0 "[ . 1 .]" 1
71 1 68 GLU HA 1 68 GLU HG3 3.400 . 3.400 2.464 2.033 3.061 . 0 0 "[ . 1 .]" 1
72 1 60 THR HA 1 69 THR HA . 2.300 3.400 2.736 2.260 3.325 0.040 9 0 "[ . 1 .]" 1
73 1 72 MET HA 1 72 MET HB3 2.800 . 2.800 2.835 2.819 2.845 0.045 4 0 "[ . 1 .]" 1
74 1 72 MET HA 1 72 MET HB2 2.800 . 2.800 2.845 2.838 2.862 0.062 13 0 "[ . 1 .]" 1
75 1 55 LEU MD2 1 73 VAL HA 5.000 . 5.000 4.355 3.790 5.006 0.006 9 0 "[ . 1 .]" 1
76 1 56 ASN HA 1 73 VAL HA 3.400 . 3.400 2.313 1.972 2.584 . 0 0 "[ . 1 .]" 1
77 1 56 ASN HA 1 73 VAL MG2 5.000 . 5.000 2.867 2.488 3.238 . 0 0 "[ . 1 .]" 1
78 1 54 GLY HA3 1 75 GLN HA 5.000 . 5.000 2.758 2.319 3.377 . 0 0 "[ . 1 .]" 1
79 1 54 GLY HA2 1 75 GLN HA 5.000 . 5.000 2.678 2.141 3.245 . 0 0 "[ . 1 .]" 1
80 1 54 GLY HA2 1 75 GLN HG3 5.000 . 5.000 3.849 2.047 5.004 0.004 8 0 "[ . 1 .]" 1
81 1 75 GLN HA 1 75 GLN HG3 3.400 . 3.400 2.659 2.019 3.304 . 0 0 "[ . 1 .]" 1
82 1 54 GLY HA2 1 76 PRO HB2 5.000 . 5.000 5.016 4.908 5.075 0.075 8 0 "[ . 1 .]" 1
83 1 54 GLY HA2 1 76 PRO HD3 2.800 . 2.800 2.029 1.853 2.362 . 0 0 "[ . 1 .]" 1
84 1 54 GLY HA2 1 76 PRO HG3 5.000 . 5.000 3.203 2.613 4.275 . 0 0 "[ . 1 .]" 1
85 1 75 GLN HA 1 76 PRO HD2 2.800 . 2.800 2.117 1.899 2.466 . 0 0 "[ . 1 .]" 1
86 1 79 ALA HA 1 80 PRO HB2 5.000 . 5.000 4.997 4.917 5.014 0.014 8 0 "[ . 1 .]" 1
87 1 79 ALA HA 1 80 PRO HD2 2.800 . 2.800 2.582 2.463 2.618 . 0 0 "[ . 1 .]" 1
88 1 79 ALA HA 1 80 PRO HG3 5.000 . 5.000 4.204 4.188 4.241 . 0 0 "[ . 1 .]" 1
89 1 80 PRO HA 1 80 PRO HB3 2.800 . 2.800 2.316 2.312 2.321 . 0 0 "[ . 1 .]" 1
90 1 8 VAL MG1 1 81 GLY HA3 5.000 . 5.000 4.358 3.056 5.007 0.007 12 0 "[ . 1 .]" 1
91 1 76 PRO HA 1 83 TYR HA . 2.300 3.500 3.366 3.261 3.425 . 0 0 "[ . 1 .]" 1
92 1 76 PRO HA 1 83 TYR HD1 3.400 . 3.400 1.870 1.801 1.959 . 0 0 "[ . 1 .]" 1
93 1 77 ALA HA 1 83 TYR HA 5.000 . 5.000 3.654 3.471 4.000 . 0 0 "[ . 1 .]" 1
94 1 77 ALA MB 1 83 TYR HA 5.000 . 5.000 2.053 1.892 2.487 . 0 0 "[ . 1 .]" 1
95 1 80 PRO HA 1 83 TYR HE1 5.000 . 5.000 4.313 3.248 4.937 . 0 0 "[ . 1 .]" 1
96 1 81 GLY HA2 1 83 TYR HD1 5.000 . 5.000 5.038 5.010 5.058 0.058 1 0 "[ . 1 .]" 1
97 1 82 HIS HA 1 83 TYR HD2 5.000 . 5.000 4.448 4.266 4.665 . 0 0 "[ . 1 .]" 1
98 1 82 HIS HA 1 83 TYR HE2 5.000 . 5.000 4.865 4.718 5.019 0.019 10 0 "[ . 1 .]" 1
99 1 83 TYR HA 1 83 TYR HD1 5.000 . 5.000 2.971 2.789 3.151 . 0 0 "[ . 1 .]" 1
100 1 74 LEU HA 1 85 TYR HA 5.000 . 5.000 4.813 4.404 5.006 0.006 5 0 "[ . 1 .]" 1
101 1 74 LEU HA 1 85 TYR QD 5.000 . 5.000 3.458 3.119 4.462 . 0 0 "[ . 1 .]" 1
102 1 74 LEU HA 1 85 TYR QE 5.000 . 5.000 4.515 3.933 4.955 . 0 0 "[ . 1 .]" 1
103 1 90 SER HA 1 90 SER HB3 2.800 . 2.800 2.632 2.248 2.847 0.047 14 0 "[ . 1 .]" 1
104 1 90 SER HA 1 90 SER HB2 2.800 . 2.800 2.762 2.477 2.847 0.047 10 0 "[ . 1 .]" 1
105 1 84 THR HA 1 95 SER HA . 2.300 3.400 3.001 2.596 3.335 . 0 0 "[ . 1 .]" 1
106 1 84 THR MG 1 95 SER HA 5.000 . 5.000 4.273 3.557 5.006 0.006 15 0 "[ . 1 .]" 1
107 1 82 HIS HA 1 97 SER HA 3.400 . 3.400 2.578 2.305 2.879 . 0 0 "[ . 1 .]" 1
108 1 8 VAL HA 1 99 VAL HA 3.400 2.300 3.400 2.933 2.412 3.360 . 0 0 "[ . 1 .]" 1
109 1 8 VAL HB 1 99 VAL HA 5.000 . 5.000 4.729 4.329 5.008 0.008 14 0 "[ . 1 .]" 1
110 1 100 GLU HA 1 100 GLU HB3 2.800 . 2.800 2.412 2.350 2.461 . 0 0 "[ . 1 .]" 1
111 1 100 GLU HA 1 100 GLU HB2 2.800 . 2.800 2.483 2.431 2.558 . 0 0 "[ . 1 .]" 1
112 1 101 ALA HA 1 107 ALA HA . 2.300 3.500 2.644 2.280 3.273 0.020 4 0 "[ . 1 .]" 1
113 1 98 VAL HA 1 109 LEU HA 3.400 2.300 3.400 2.417 2.293 2.734 0.007 7 0 "[ . 1 .]" 1
114 1 108 LEU HA 1 109 LEU HA 5.000 . 5.000 4.407 4.390 4.448 . 0 0 "[ . 1 .]" 1
115 1 110 PHE HA 1 110 PHE HD1 5.000 . 5.000 2.740 2.237 3.429 . 0 0 "[ . 1 .]" 1
116 1 96 VAL HA 1 111 SER HA . 2.300 3.500 2.263 2.216 2.311 0.084 1 0 "[ . 1 .]" 1
117 1 96 VAL MG1 1 111 SER HA 5.000 . 5.000 4.777 4.537 5.007 0.007 11 0 "[ . 1 .]" 1
118 1 92 SER HA 1 115 LYS QB 2.800 . 2.800 2.605 1.587 2.901 0.213 9 0 "[ . 1 .]" 1
119 1 92 SER HA 1 115 LYS HG3 2.800 . 2.800 2.050 1.760 2.869 0.069 9 0 "[ . 1 .]" 1
120 1 115 LYS HA 1 115 LYS QB 2.800 . 2.800 2.442 2.142 2.521 . 0 0 "[ . 1 .]" 1
121 1 115 LYS HA 1 115 LYS HD3 3.400 . 3.400 3.344 2.154 3.513 0.113 9 0 "[ . 1 .]" 1
122 1 115 LYS HA 1 115 LYS HG3 3.400 . 3.400 2.366 2.038 3.291 . 0 0 "[ . 1 .]" 1
123 1 92 SER HB2 1 116 GLY HA2 3.400 . 3.400 3.436 3.373 3.492 0.092 3 0 "[ . 1 .]" 1
124 1 120 ASP HA 1 120 ASP HB3 2.800 . 2.800 2.751 2.362 2.844 0.044 11 0 "[ . 1 .]" 1
125 1 120 ASP HA 1 120 ASP HB2 2.800 . 2.800 2.777 2.484 2.846 0.046 5 0 "[ . 1 .]" 1
126 1 28 SER HA 1 123 MET HA . . 2.800 2.822 2.802 2.841 0.041 3 0 "[ . 1 .]" 1
127 1 28 SER HA 1 123 MET HB3 3.400 . 3.400 3.433 3.421 3.454 0.054 13 0 "[ . 1 .]" 1
128 1 28 SER HA 1 123 MET HG3 5.000 . 5.000 4.002 2.272 5.010 0.010 1 0 "[ . 1 .]" 1
129 1 28 SER HA 1 123 MET HG2 5.000 . 5.000 3.657 2.484 5.062 0.062 4 0 "[ . 1 .]" 1
130 1 26 LEU HA 1 124 ALA HA 5.000 . 5.000 5.091 5.040 5.117 0.117 14 0 "[ . 1 .]" 1
131 1 110 PHE HA 1 124 ALA HA 2.800 2.300 2.800 2.507 2.297 2.820 0.020 1 0 "[ . 1 .]" 1
132 1 110 PHE HA 1 124 ALA MB 5.000 . 5.000 3.296 2.999 3.668 . 0 0 "[ . 1 .]" 1
133 1 26 LEU HA 1 125 THR HA 5.000 . 5.000 2.751 2.518 2.924 . 0 0 "[ . 1 .]" 1
134 1 26 LEU HA 1 125 THR MG 5.000 . 5.000 4.356 3.934 5.037 0.037 5 0 "[ . 1 .]" 1
135 1 24 ALA HA 1 126 LEU HG 5.000 . 5.000 5.073 5.045 5.115 0.115 9 0 "[ . 1 .]" 1
136 1 26 LEU HA 1 126 LEU MD2 5.000 . 5.000 4.863 4.313 5.010 0.010 3 0 "[ . 1 .]" 1
137 1 107 ALA MB 1 126 LEU HA 5.000 . 5.000 4.347 3.553 4.881 . 0 0 "[ . 1 .]" 1
138 1 108 LEU HA 1 126 LEU HA . . 2.800 2.532 2.344 2.790 . 0 0 "[ . 1 .]" 1
139 1 106 TYR HA 1 128 SER HA . . 3.400 3.476 3.360 3.520 0.120 8 0 "[ . 1 .]" 1
140 1 105 GLU HB3 1 129 ARG HA 5.000 . 5.000 4.245 2.040 5.036 0.036 15 0 "[ . 1 .]" 1
141 1 129 ARG HA 1 130 THR HA 5.000 . 5.000 4.369 4.282 4.629 . 0 0 "[ . 1 .]" 1
142 1 130 THR HA 1 130 THR HB . . 2.800 2.575 2.335 2.987 0.187 3 0 "[ . 1 .]" 1
143 1 130 THR HA 1 130 THR MG 2.800 . 2.800 2.408 2.227 2.615 . 0 0 "[ . 1 .]" 1
144 1 130 THR HA 1 131 GLN HA 5.000 . 5.000 4.344 4.303 4.545 . 0 0 "[ . 1 .]" 1
145 1 132 THR HA 1 132 THR HB 2.800 . 2.800 2.679 2.462 2.924 0.124 11 0 "[ . 1 .]" 1
146 1 132 THR HA 1 132 THR MG . . 3.400 2.760 2.058 3.224 . 0 0 "[ . 1 .]" 1
147 1 133 LEU HA 1 133 LEU HB3 2.800 . 2.800 2.501 2.379 2.633 . 0 0 "[ . 1 .]" 1
148 1 129 ARG HA 1 134 LYS HD3 3.400 . 3.400 3.672 3.550 3.729 0.329 1 0 "[ . 1 .]" 1
149 1 134 LYS HA 1 134 LYS HB3 . . 2.800 2.483 2.379 2.574 . 0 0 "[ . 1 .]" 1
150 1 134 LYS HA 1 134 LYS HG3 2.800 . 2.800 2.514 2.374 2.900 0.100 13 0 "[ . 1 .]" 1
151 1 136 GLU HA 1 136 GLU HB2 2.800 . 2.800 2.982 2.967 2.988 0.188 5 0 "[ . 1 .]" 1
152 1 136 GLU HA 1 136 GLU HG3 3.400 . 3.400 2.750 2.339 3.401 0.001 10 0 "[ . 1 .]" 1
153 1 137 LEU HA 1 137 LEU HB3 2.800 . 2.800 2.350 2.291 2.409 . 0 0 "[ . 1 .]" 1
154 1 135 ASP HA 1 138 LYS HD3 5.000 . 5.000 4.630 4.094 5.124 0.124 2 0 "[ . 1 .]" 1
155 1 135 ASP HA 1 138 LYS HG3 3.400 . 3.400 3.447 3.416 3.492 0.092 11 0 "[ . 1 .]" 1
156 1 138 LYS HA 1 138 LYS HD3 5.000 . 5.000 3.431 2.110 4.612 . 0 0 "[ . 1 .]" 1
157 1 136 GLU HA 1 139 GLU HG3 5.000 . 5.000 5.073 5.053 5.086 0.086 9 0 "[ . 1 .]" 1
158 1 137 LEU HA 1 139 GLU HG2 5.000 . 5.000 5.004 4.918 5.052 0.052 1 0 "[ . 1 .]" 1
159 1 137 LEU HA 1 140 LYS HB3 3.400 . 3.400 2.777 2.436 3.233 . 0 0 "[ . 1 .]" 1
160 1 138 LYS HA 1 141 PHE HB3 5.000 . 5.000 3.230 2.901 3.516 . 0 0 "[ . 1 .]" 1
161 1 140 LYS HG3 1 141 PHE HA 5.000 . 5.000 4.524 3.737 4.903 . 0 0 "[ . 1 .]" 1
162 1 140 LYS HA 1 143 THR HB . . 2.800 2.816 2.763 2.835 0.035 11 0 "[ . 1 .]" 1
163 1 141 PHE HA 1 144 PHE HB2 5.000 . 5.000 4.229 4.025 5.029 0.029 1 0 "[ . 1 .]" 1
164 1 143 THR HA 1 146 LYS HB3 5.000 . 5.000 3.402 3.227 3.674 . 0 0 "[ . 1 .]" 1
165 1 143 THR HA 1 146 LYS HG3 5.000 . 5.000 2.791 2.301 3.031 . 0 0 "[ . 1 .]" 1
166 1 146 LYS HA 1 146 LYS HD3 3.400 . 3.400 3.193 2.973 3.412 0.012 8 0 "[ . 1 .]" 1
167 1 144 PHE HA 1 147 ALA MB 5.000 . 5.000 2.809 2.624 2.957 . 0 0 "[ . 1 .]" 1
168 1 146 LYS HG3 1 147 ALA HA 5.000 . 5.000 3.118 3.027 3.407 . 0 0 "[ . 1 .]" 1
169 1 149 GLY HA3 1 150 LEU HA 5.000 . 5.000 4.674 4.630 4.698 . 0 0 "[ . 1 .]" 1
170 1 150 LEU HA 1 150 LEU MD1 3.400 . 3.400 1.919 1.887 1.967 . 0 0 "[ . 1 .]" 1
171 1 146 LYS HG3 1 151 THR HA 5.000 . 5.000 5.048 5.039 5.056 0.056 4 0 "[ . 1 .]" 1
172 1 150 LEU HG 1 151 THR HA 5.000 . 5.000 4.668 4.498 5.003 0.003 5 0 "[ . 1 .]" 1
173 1 151 THR HA 1 152 GLU HB3 5.000 . 5.000 4.998 4.986 5.007 0.007 1 0 "[ . 1 .]" 1
174 1 152 GLU HA 1 152 GLU HB3 2.800 . 2.800 2.459 2.445 2.467 . 0 0 "[ . 1 .]" 1
175 1 29 ASN HA 1 153 GLU HA 5.000 . 5.000 5.045 5.029 5.063 0.063 14 0 "[ . 1 .]" 1
176 1 150 LEU HA 1 153 GLU HB3 5.000 . 5.000 5.011 4.997 5.027 0.027 7 0 "[ . 1 .]" 1
177 1 153 GLU HA 1 153 GLU HB2 2.800 . 2.800 2.501 2.445 2.549 . 0 0 "[ . 1 .]" 1
178 1 153 GLU HA 1 153 GLU HG3 2.800 . 2.800 2.529 2.345 2.791 . 0 0 "[ . 1 .]" 1
179 1 28 SER H 1 154 ASP HA 5.000 . 5.000 2.866 2.659 3.181 . 0 0 "[ . 1 .]" 1
180 1 150 LEU HA 1 154 ASP HB2 5.000 . 5.000 4.368 3.940 4.603 . 0 0 "[ . 1 .]" 1
181 1 153 GLU HB3 1 154 ASP HA 5.000 . 5.000 4.716 4.612 4.839 . 0 0 "[ . 1 .]" 1
182 1 27 ALA HA 1 155 ILE HA 3.400 . 3.400 2.036 1.779 2.130 0.021 14 0 "[ . 1 .]" 1
183 1 27 ALA MB 1 155 ILE HA 5.000 . 5.000 2.921 2.604 3.008 . 0 0 "[ . 1 .]" 1
184 1 27 ALA HA 1 155 ILE HB 5.000 . 5.000 4.983 4.747 5.052 0.052 11 0 "[ . 1 .]" 1
185 1 27 ALA HA 1 155 ILE MG 5.000 . 5.000 3.819 3.258 4.105 . 0 0 "[ . 1 .]" 1
186 1 27 ALA HA 1 155 ILE H 5.000 . 5.000 4.103 4.014 4.254 . 0 0 "[ . 1 .]" 1
187 1 152 GLU HA 1 155 ILE HB 3.400 . 3.400 2.703 2.410 2.957 . 0 0 "[ . 1 .]" 1
188 1 152 GLU HA 1 155 ILE MD 5.000 . 5.000 2.554 1.885 4.216 . 0 0 "[ . 1 .]" 1
189 1 154 ASP HA 1 155 ILE H . . 2.800 2.763 2.712 2.846 0.046 14 0 "[ . 1 .]" 1
190 1 26 LEU HA 1 156 VAL MG1 5.000 . 5.000 4.074 3.842 4.970 . 0 0 "[ . 1 .]" 1
191 1 155 ILE HB 1 156 VAL HA 5.000 . 5.000 4.705 4.562 4.883 . 0 0 "[ . 1 .]" 1
192 1 156 VAL HA 1 156 VAL MG1 3.400 . 3.400 3.162 2.577 3.209 . 0 0 "[ . 1 .]" 1
193 1 156 VAL HA 1 157 PHE HD1 5.000 . 5.000 3.296 3.036 3.644 . 0 0 "[ . 1 .]" 1
194 1 157 PHE HA 1 157 PHE HD1 3.400 . 3.400 2.614 2.391 3.030 . 0 0 "[ . 1 .]" 1
195 1 42 MET HA 1 158 LEU MD2 5.000 . 5.000 4.206 3.190 4.884 . 0 0 "[ . 1 .]" 1
196 1 157 PHE HA 1 158 LEU MD1 5.000 . 5.000 3.955 3.019 4.441 . 0 0 "[ . 1 .]" 1
197 1 158 LEU HA 1 159 PRO HD3 3.400 . 3.400 1.979 1.867 2.544 . 0 0 "[ . 1 .]" 1
198 1 22 TYR HD1 1 161 PRO HA 5.000 . 5.000 4.807 4.005 5.059 0.059 15 0 "[ . 1 .]" 1
199 1 162 ASP HA 1 162 ASP HB3 2.800 . 2.800 2.598 2.266 2.918 0.118 2 0 "[ . 1 .]" 1
200 1 66 GLN HA 1 163 LYS HG3 3.400 . 3.400 3.425 3.372 3.451 0.051 4 0 "[ . 1 .]" 1
201 1 163 LYS HA 1 163 LYS HB3 2.800 . 2.800 2.738 2.569 2.858 0.058 2 0 "[ . 1 .]" 1
202 1 163 LYS HA 1 163 LYS HD3 3.400 . 3.400 3.224 2.809 3.423 0.023 15 0 "[ . 1 .]" 1
203 1 21 TRP HH2 1 105 GLU HA 3.400 . 3.400 2.133 1.847 2.745 . 0 0 "[ . 1 .]" 1
204 1 21 TRP HZ2 1 105 GLU HA 3.400 . 3.400 3.419 3.137 3.466 0.066 15 0 "[ . 1 .]" 1
205 1 17 PHE HA 1 21 TRP HZ2 3.400 . 3.400 2.552 2.158 3.066 . 0 0 "[ . 1 .]" 1
206 1 17 PHE HA 1 21 TRP HE1 3.400 . 3.400 3.151 2.822 3.420 0.020 3 0 "[ . 1 .]" 1
207 1 20 ARG HA 1 21 TRP HD1 3.400 . 3.400 3.478 3.448 3.500 0.100 12 0 "[ . 1 .]" 1
208 1 10 PRO HB3 1 10 PRO HG2 2.800 . 2.800 2.685 2.664 2.711 . 0 0 "[ . 1 .]" 1
209 1 33 PHE HB3 1 33 PHE QD 3.400 . 3.400 2.508 2.263 2.760 . 0 0 "[ . 1 .]" 1
210 1 34 ARG HB3 1 34 ARG HD3 3.400 . 3.400 2.956 1.981 3.394 . 0 0 "[ . 1 .]" 1
211 1 34 ARG HB3 1 34 ARG HG3 2.800 . 2.800 2.756 2.548 2.873 0.073 14 0 "[ . 1 .]" 1
212 1 34 ARG HA 1 37 LYS HB3 5.000 . 5.000 3.344 1.994 4.318 . 0 0 "[ . 1 .]" 1
213 1 35 GLU HA 1 38 ALA MB 5.000 . 5.000 3.374 2.531 3.742 . 0 0 "[ . 1 .]" 1
214 1 38 ALA MB 1 39 VAL HA 5.000 . 5.000 4.126 4.042 4.178 . 0 0 "[ . 1 .]" 1
215 1 48 ALA HA 1 49 PRO HG3 5.000 . 5.000 4.442 4.112 4.587 . 0 0 "[ . 1 .]" 1
216 1 50 SER HB2 1 55 LEU HA 5.000 . 5.000 2.633 2.362 2.890 . 0 0 "[ . 1 .]" 1
217 1 48 ALA MB 1 56 ASN HB3 5.000 . 5.000 3.313 2.962 3.739 . 0 0 "[ . 1 .]" 1
218 1 46 VAL HB 1 58 THR HB 5.000 . 5.000 2.611 1.992 4.505 . 0 0 "[ . 1 .]" 1
219 1 46 VAL HB 1 58 THR MG 5.000 . 5.000 3.907 1.962 4.557 . 0 0 "[ . 1 .]" 1
220 1 45 THR MG 1 59 SER HB3 5.000 . 5.000 4.303 2.198 5.005 0.005 14 0 "[ . 1 .]" 1
221 1 45 THR MG 1 59 SER HB2 5.000 . 5.000 4.217 3.365 5.002 0.002 14 0 "[ . 1 .]" 1
222 1 41 TYR HB2 1 62 LEU HA 5.000 . 5.000 4.220 3.550 4.909 . 0 0 "[ . 1 .]" 1
223 1 41 TYR QD 1 65 ASN QB 5.000 . 5.000 4.778 4.574 4.868 . 0 0 "[ . 1 .]" 1
224 1 62 LEU HB2 1 67 ALA HA 5.000 . 5.000 4.361 3.419 5.022 0.022 7 0 "[ . 1 .]" 1
225 1 62 LEU MD1 1 67 ALA MB 5.000 . 5.000 2.719 1.781 4.292 0.019 15 0 "[ . 1 .]" 1
226 1 61 PHE HD1 1 70 LYS HB3 5.000 . 5.000 4.763 4.218 5.031 0.031 6 0 "[ . 1 .]" 1
227 1 61 PHE HD1 1 70 LYS HB2 5.000 . 5.000 4.421 4.222 4.942 . 0 0 "[ . 1 .]" 1
228 1 71 ILE HB 1 71 ILE MD 2.800 . 2.800 2.184 2.032 2.377 . 0 0 "[ . 1 .]" 1
229 1 55 LEU HB2 1 74 LEU HB3 5.000 . 5.000 4.492 3.629 5.005 0.005 11 0 "[ . 1 .]" 1
230 1 12 PHE HD1 1 80 PRO HB3 5.000 . 5.000 4.317 4.053 4.617 . 0 0 "[ . 1 .]" 1
231 1 12 PHE HD1 1 80 PRO HB2 5.000 . 5.000 4.893 4.435 5.015 0.015 8 0 "[ . 1 .]" 1
232 1 77 ALA MB 1 82 HIS HB3 5.000 . 5.000 2.108 1.957 2.452 . 0 0 "[ . 1 .]" 1
233 1 17 PHE QE 1 107 ALA MB 5.000 . 5.000 4.554 3.051 4.922 . 0 0 "[ . 1 .]" 1
234 1 21 TRP HZ3 1 107 ALA MB 5.000 . 5.000 2.497 2.031 2.930 . 0 0 "[ . 1 .]" 1
235 1 101 ALA MB 1 107 ALA HA 5.000 . 5.000 2.790 2.306 3.594 . 0 0 "[ . 1 .]" 1
236 1 99 VAL HB 1 108 LEU HB3 2.800 . 2.800 2.442 1.944 2.813 0.013 5 0 "[ . 1 .]" 1
237 1 99 VAL HB 1 108 LEU HB2 2.800 . 2.800 2.629 2.407 2.817 0.017 12 0 "[ . 1 .]" 1
238 1 110 PHE HB3 1 110 PHE HE1 5.000 . 5.000 4.971 4.719 5.467 0.467 11 0 "[ . 1 .]" 1
239 1 96 VAL MG1 1 111 SER HB3 5.000 . 5.000 5.008 4.955 5.025 0.025 10 0 "[ . 1 .]" 1
240 1 115 LYS QB 1 121 PHE QD 5.000 . 5.000 3.768 2.891 4.766 . 0 0 "[ . 1 .]" 1
241 1 111 SER HB3 1 123 MET HB3 5.000 . 5.000 5.014 5.006 5.023 0.023 7 0 "[ . 1 .]" 1
242 1 27 ALA MB 1 124 ALA MB 5.000 . 5.000 1.856 1.803 1.953 . 0 0 "[ . 1 .]" 1
243 1 110 PHE HD1 1 124 ALA MB 5.000 . 5.000 4.224 2.740 4.981 . 0 0 "[ . 1 .]" 1
244 1 110 PHE HE1 1 124 ALA MB 5.000 . 5.000 4.160 2.522 4.982 . 0 0 "[ . 1 .]" 1
245 1 23 SER HB3 1 127 TYR QD 5.000 . 5.000 4.303 3.801 4.678 . 0 0 "[ . 1 .]" 1
246 1 23 SER HB3 1 127 TYR QE 5.000 . 5.000 4.642 4.064 4.965 . 0 0 "[ . 1 .]" 1
247 1 125 THR MG 1 127 TYR QD 5.000 . 5.000 4.077 3.161 4.929 . 0 0 "[ . 1 .]" 1
248 1 24 ALA MB 1 128 SER HB3 5.000 . 5.000 3.491 2.931 3.830 . 0 0 "[ . 1 .]" 1
249 1 24 ALA MB 1 128 SER HB2 5.000 . 5.000 2.888 2.261 3.343 . 0 0 "[ . 1 .]" 1
250 1 135 ASP HA 1 138 LYS HB3 5.000 . 5.000 1.990 1.714 2.345 0.086 1 0 "[ . 1 .]" 1
251 1 135 ASP HA 1 138 LYS HB2 5.000 . 5.000 2.398 2.068 3.173 . 0 0 "[ . 1 .]" 1
252 1 136 GLU HA 1 139 GLU HB3 5.000 . 5.000 3.161 2.788 3.669 . 0 0 "[ . 1 .]" 1
253 1 137 LEU HA 1 140 LYS HB2 5.000 . 5.000 3.429 3.010 3.831 . 0 0 "[ . 1 .]" 1
254 1 141 PHE HB3 1 141 PHE HD1 3.400 . 3.400 2.589 2.546 2.651 . 0 0 "[ . 1 .]" 1
255 1 141 PHE HA 1 144 PHE HB3 5.000 . 5.000 3.002 2.863 3.758 . 0 0 "[ . 1 .]" 1
256 1 143 THR HA 1 146 LYS HB2 5.000 . 5.000 4.779 4.648 4.909 . 0 0 "[ . 1 .]" 1
257 1 144 PHE HD1 1 148 GLN HB3 5.000 . 5.000 5.005 5.002 5.008 0.008 2 0 "[ . 1 .]" 1
258 1 144 PHE HD1 1 148 GLN HB2 5.000 . 5.000 4.729 3.761 5.006 0.006 3 0 "[ . 1 .]" 1
259 1 155 ILE HB 1 155 ILE MD 3.400 . 3.400 2.526 2.046 3.219 . 0 0 "[ . 1 .]" 1
260 1 33 PHE QD 1 156 VAL HB 5.000 . 5.000 4.089 3.390 4.957 . 0 0 "[ . 1 .]" 1
261 1 156 VAL HB 1 157 PHE HD1 5.000 . 5.000 5.151 4.996 5.179 0.179 9 0 "[ . 1 .]" 1
262 1 62 LEU HA 1 162 ASP HB3 3.400 . 3.400 3.468 3.401 3.567 0.167 2 0 "[ . 1 .]" 1
263 1 62 LEU MD1 1 162 ASP HB3 5.000 . 5.000 3.195 1.962 4.253 . 0 0 "[ . 1 .]" 1
264 1 163 LYS HB3 1 163 LYS HD3 3.400 . 3.400 2.041 1.982 2.083 . 0 0 "[ . 1 .]" 1
265 1 163 LYS HB2 1 163 LYS HD3 3.400 . 3.400 3.389 3.314 3.425 0.025 5 0 "[ . 1 .]" 1
266 1 163 LYS HD3 1 165 ILE HB 5.000 . 5.000 4.169 2.814 5.000 . 0 0 "[ . 1 .]" 1
267 1 36 LYS HA 1 39 VAL MG2 5.000 . 5.000 3.260 3.103 3.525 . 0 0 "[ . 1 .]" 1
268 1 38 ALA MB 1 39 VAL MG1 5.000 . 5.000 2.905 2.724 3.223 . 0 0 "[ . 1 .]" 1
269 1 37 LYS HA 1 40 LEU MD2 5.000 . 5.000 3.338 2.826 3.718 . 0 0 "[ . 1 .]" 1
270 1 19 GLY HA2 1 46 VAL MG1 5.000 . 5.000 3.274 2.766 3.702 . 0 0 "[ . 1 .]" 1
271 1 20 ARG HA 1 46 VAL MG2 5.000 . 5.000 2.483 1.967 2.906 . 0 0 "[ . 1 .]" 1
272 1 18 LEU HA 1 47 VAL MG1 5.000 . 5.000 3.575 2.841 4.772 . 0 0 "[ . 1 .]" 1
273 1 18 LEU MD1 1 48 ALA HA 5.000 . 5.000 2.617 2.050 3.125 . 0 0 "[ . 1 .]" 1
274 1 18 LEU MD1 1 48 ALA MB 5.000 . 5.000 3.826 3.349 4.382 . 0 0 "[ . 1 .]" 1
275 1 47 VAL MG1 1 48 ALA HA 5.000 . 5.000 3.623 3.310 5.033 0.033 13 0 "[ . 1 .]" 1
276 1 47 VAL HA 1 48 ALA MB 5.000 . 5.000 3.899 3.860 3.939 . 0 0 "[ . 1 .]" 1
277 1 14 GLN HB3 1 55 LEU MD1 5.000 . 5.000 3.872 3.213 4.379 . 0 0 "[ . 1 .]" 1
278 1 62 LEU HB2 1 62 LEU MD1 3.400 . 3.400 2.615 2.211 3.168 . 0 0 "[ . 1 .]" 1
279 1 62 LEU HB2 1 62 LEU MD2 3.400 . 3.400 2.397 1.961 3.179 . 0 0 "[ . 1 .]" 1
280 1 62 LEU MD1 1 67 ALA HA 5.000 . 5.000 3.335 1.934 5.046 0.046 2 0 "[ . 1 .]" 1
281 1 60 THR MG 1 69 THR HA 5.000 . 5.000 3.454 2.243 4.743 . 0 0 "[ . 1 .]" 1
282 1 60 THR HA 1 69 THR MG 5.000 . 5.000 4.408 3.714 5.059 0.059 9 0 "[ . 1 .]" 1
283 1 71 ILE MG 1 72 MET HA 5.000 . 5.000 3.763 3.495 5.026 0.026 8 0 "[ . 1 .]" 1
284 1 73 VAL HA 1 73 VAL MG2 3.400 . 3.400 2.323 2.171 2.366 . 0 0 "[ . 1 .]" 1
285 1 55 LEU MD2 1 74 LEU MD2 5.000 . 5.000 4.130 2.659 4.753 . 0 0 "[ . 1 .]" 1
286 1 73 VAL HA 1 74 LEU MD2 5.000 . 5.000 4.514 3.344 5.117 0.117 15 0 "[ . 1 .]" 1
287 1 74 LEU HB3 1 74 LEU MD2 3.400 . 3.400 2.437 2.094 3.193 . 0 0 "[ . 1 .]" 1
288 1 76 PRO HA 1 77 ALA MB 5.000 . 5.000 3.967 3.918 4.000 . 0 0 "[ . 1 .]" 1
289 1 79 ALA MB 1 80 PRO HD2 5.000 . 5.000 2.669 2.521 3.053 . 0 0 "[ . 1 .]" 1
290 1 77 ALA MB 1 82 HIS HB2 5.000 . 5.000 3.621 3.035 3.930 . 0 0 "[ . 1 .]" 1
291 1 74 LEU MD2 1 83 TYR HB3 5.000 . 5.000 3.775 3.102 5.015 0.015 5 0 "[ . 1 .]" 1
292 1 83 TYR HB3 1 96 VAL MG1 5.000 . 5.000 4.569 4.273 4.811 . 0 0 "[ . 1 .]" 1
293 1 83 TYR HB2 1 96 VAL MG1 5.000 . 5.000 3.118 2.813 3.383 . 0 0 "[ . 1 .]" 1
294 1 84 THR HA 1 96 VAL MG1 5.000 . 5.000 4.803 4.373 5.009 0.009 6 0 "[ . 1 .]" 1
295 1 81 GLY HA2 1 98 VAL MG2 5.000 . 5.000 2.828 1.903 5.001 0.001 12 0 "[ . 1 .]" 1
296 1 101 ALA HA 1 107 ALA MB 5.000 . 5.000 3.931 2.505 4.678 . 0 0 "[ . 1 .]" 1
297 1 101 ALA HA 1 108 LEU MD2 5.000 . 5.000 3.961 2.870 5.009 0.009 15 0 "[ . 1 .]" 1
298 1 98 VAL MG1 1 109 LEU HA 5.000 . 5.000 4.089 3.525 5.009 0.009 12 0 "[ . 1 .]" 1
299 1 98 VAL HA 1 109 LEU MD1 5.000 . 5.000 3.332 1.794 4.346 0.006 1 0 "[ . 1 .]" 1
300 1 96 VAL MG2 1 111 SER HA 5.000 . 5.000 3.165 2.732 3.585 . 0 0 "[ . 1 .]" 1
301 1 26 LEU MD1 1 125 THR HA 5.000 . 5.000 3.301 2.422 3.808 . 0 0 "[ . 1 .]" 1
302 1 26 LEU MD1 1 125 THR MG 5.000 . 5.000 2.831 2.003 4.700 . 0 0 "[ . 1 .]" 1
303 1 108 LEU MD1 1 126 LEU HA 5.000 . 5.000 3.199 2.271 4.556 . 0 0 "[ . 1 .]" 1
304 1 132 THR HB 1 133 LEU MD2 5.000 . 5.000 4.783 4.448 5.020 0.020 1 0 "[ . 1 .]" 1
305 1 133 LEU HB3 1 133 LEU MD1 3.400 . 3.400 3.000 2.802 3.120 . 0 0 "[ . 1 .]" 1
306 1 133 LEU HB3 1 133 LEU MD2 2.800 . 2.800 2.058 1.972 2.191 . 0 0 "[ . 1 .]" 1
307 1 133 LEU MD1 1 137 LEU MD2 5.000 . 5.000 4.877 4.368 5.032 0.032 1 0 "[ . 1 .]" 1
308 1 136 GLU HB2 1 137 LEU MD1 5.000 . 5.000 5.077 5.048 5.107 0.107 10 0 "[ . 1 .]" 1
309 1 137 LEU HB2 1 137 LEU MD1 2.800 . 2.800 2.218 2.163 2.278 . 0 0 "[ . 1 .]" 1
310 1 133 LEU MD1 1 138 LYS HE3 5.000 . 5.000 4.264 2.766 5.017 0.017 3 0 "[ . 1 .]" 1
311 1 137 LEU MD1 1 138 LYS HA 5.000 . 5.000 2.638 2.465 2.872 . 0 0 "[ . 1 .]" 1
312 1 137 LEU MD1 1 138 LYS HE3 5.000 . 5.000 4.970 4.807 5.029 0.029 4 0 "[ . 1 .]" 1
313 1 142 THR HA 1 142 THR MG 3.400 . 3.400 2.650 2.257 3.229 . 0 0 "[ . 1 .]" 1
314 1 150 LEU HB3 1 150 LEU MD2 3.400 . 3.400 2.432 2.335 2.481 . 0 0 "[ . 1 .]" 1
315 1 150 LEU MD2 1 154 ASP HB2 5.000 . 5.000 2.673 2.269 3.019 . 0 0 "[ . 1 .]" 1
316 1 142 THR HA 1 155 ILE MD 5.000 . 5.000 2.841 2.231 3.476 . 0 0 "[ . 1 .]" 1
317 1 142 THR MG 1 155 ILE MD 5.000 . 5.000 2.494 1.782 4.094 0.018 10 0 "[ . 1 .]" 1
318 1 142 THR MG 1 155 ILE MG 5.000 . 5.000 3.504 2.068 4.386 . 0 0 "[ . 1 .]" 1
319 1 27 ALA HA 1 156 VAL MG1 5.000 . 5.000 3.529 3.320 5.053 0.053 11 0 "[ . 1 .]" 1
320 1 155 ILE MG 1 156 VAL HA 5.000 . 5.000 3.474 3.329 3.569 . 0 0 "[ . 1 .]" 1
321 1 24 ALA HA 1 158 LEU MD1 5.000 . 5.000 3.519 2.615 4.363 . 0 0 "[ . 1 .]" 1
322 1 62 LEU MD1 1 162 ASP HA 5.000 . 5.000 4.177 1.962 5.074 0.074 8 0 "[ . 1 .]" 1
323 1 62 LEU MD1 1 163 LYS HB3 5.000 . 5.000 3.448 2.423 5.008 0.008 6 0 "[ . 1 .]" 1
324 1 17 PHE HB3 1 21 TRP HZ2 3.400 . 3.400 2.563 1.791 3.354 0.009 12 0 "[ . 1 .]" 1
325 1 17 PHE HB3 1 21 TRP HH2 5.000 . 5.000 3.770 3.237 4.532 . 0 0 "[ . 1 .]" 1
326 1 17 PHE HB3 1 21 TRP HE1 5.000 . 5.000 3.617 3.435 4.141 . 0 0 "[ . 1 .]" 1
327 1 21 TRP QB 1 127 TYR QD 3.400 . 3.400 3.077 2.978 3.232 . 0 0 "[ . 1 .]" 1
328 1 21 TRP QB 1 127 TYR QE 5.000 . 5.000 4.278 4.122 4.458 . 0 0 "[ . 1 .]" 1
329 1 21 TRP HE3 1 127 TYR HB3 5.000 . 5.000 2.199 1.986 2.468 . 0 0 "[ . 1 .]" 1
330 1 21 TRP QB 1 127 TYR HB3 3.400 . 3.400 2.785 2.539 3.034 . 0 0 "[ . 1 .]" 1
331 1 34 ARG HA 1 35 GLU H 5.000 . 5.000 3.520 3.502 3.567 . 0 0 "[ . 1 .]" 1
332 1 34 ARG H 1 35 GLU H 3.400 . 3.400 2.721 2.564 3.016 . 0 0 "[ . 1 .]" 1
333 1 35 GLU H 1 35 GLU HA 2.800 . 2.800 2.820 2.777 2.850 0.050 13 0 "[ . 1 .]" 1
334 1 33 PHE HA 1 36 LYS H 5.000 . 5.000 3.556 3.340 3.767 . 0 0 "[ . 1 .]" 1
335 1 34 ARG H 1 36 LYS H 5.000 . 5.000 4.044 3.805 4.250 . 0 0 "[ . 1 .]" 1
336 1 35 GLU HA 1 36 LYS H 5.000 . 5.000 3.412 3.368 3.457 . 0 0 "[ . 1 .]" 1
337 1 35 GLU H 1 36 LYS H 2.800 . 2.800 2.637 2.558 2.720 . 0 0 "[ . 1 .]" 1
338 1 33 PHE HA 1 37 LYS H 5.000 . 5.000 3.839 3.551 4.137 . 0 0 "[ . 1 .]" 1
339 1 34 ARG HA 1 37 LYS H 5.000 . 5.000 3.324 2.994 3.567 . 0 0 "[ . 1 .]" 1
340 1 35 GLU H 1 37 LYS H 5.000 . 5.000 4.152 3.977 4.610 . 0 0 "[ . 1 .]" 1
341 1 36 LYS H 1 37 LYS H 2.800 . 2.800 2.048 1.911 2.493 . 0 0 "[ . 1 .]" 1
342 1 37 LYS H 1 37 LYS HA 2.800 . 2.800 2.825 2.814 2.830 0.030 14 0 "[ . 1 .]" 1
343 1 36 LYS H 1 38 ALA H 3.400 . 3.400 3.407 3.228 3.493 0.093 10 0 "[ . 1 .]" 1
344 1 37 LYS H 1 38 ALA HA 5.000 . 5.000 5.051 5.042 5.060 0.060 3 0 "[ . 1 .]" 1
345 1 37 LYS HA 1 38 ALA H 5.000 . 5.000 3.433 3.409 3.440 . 0 0 "[ . 1 .]" 1
346 1 37 LYS H 1 38 ALA H . . 2.800 2.551 2.531 2.592 . 0 0 "[ . 1 .]" 1
347 1 38 ALA H 1 38 ALA HA 2.800 . 2.800 2.752 2.746 2.759 . 0 0 "[ . 1 .]" 1
348 1 38 ALA HA 1 39 VAL H 3.400 . 3.400 3.431 3.422 3.436 0.036 5 0 "[ . 1 .]" 1
349 1 38 ALA H 1 39 VAL H 2.800 . 2.800 2.724 2.692 2.757 . 0 0 "[ . 1 .]" 1
350 1 39 VAL H 1 40 LEU H 2.800 . 2.800 2.338 1.860 2.490 . 0 0 "[ . 1 .]" 1
351 1 134 LYS HA 1 136 GLU H 5.000 . 5.000 3.968 3.798 4.105 . 0 0 "[ . 1 .]" 1
352 1 134 LYS HA 1 137 LEU H 5.000 . 5.000 4.807 4.749 4.867 . 0 0 "[ . 1 .]" 1
353 1 134 LYS H 1 137 LEU H 5.000 . 5.000 5.035 4.980 5.081 0.081 3 0 "[ . 1 .]" 1
354 1 136 GLU H 1 137 LEU H . . 2.800 2.806 2.795 2.820 0.020 7 0 "[ . 1 .]" 1
355 1 135 ASP HA 1 138 LYS H 2.800 . 2.800 2.933 2.879 2.964 0.164 2 0 "[ . 1 .]" 1
356 1 136 GLU H 1 138 LYS H 5.000 . 5.000 3.865 3.785 3.990 . 0 0 "[ . 1 .]" 1
357 1 137 LEU H 1 138 LYS H 2.800 . 2.800 2.424 2.367 2.478 . 0 0 "[ . 1 .]" 1
358 1 135 ASP HA 1 139 GLU H 5.000 . 5.000 3.661 3.482 3.914 . 0 0 "[ . 1 .]" 1
359 1 136 GLU HA 1 139 GLU H 5.000 . 5.000 3.716 3.565 3.847 . 0 0 "[ . 1 .]" 1
360 1 137 LEU H 1 139 GLU H 5.000 . 5.000 4.059 3.910 4.331 . 0 0 "[ . 1 .]" 1
361 1 138 LYS HA 1 139 GLU H 5.000 . 5.000 3.494 3.469 3.525 . 0 0 "[ . 1 .]" 1
362 1 138 LYS H 1 139 GLU H 2.800 . 2.800 2.619 2.517 2.718 . 0 0 "[ . 1 .]" 1
363 1 139 GLU H 1 139 GLU HA 2.800 . 2.800 2.840 2.828 2.847 0.047 14 0 "[ . 1 .]" 1
364 1 136 GLU HA 1 140 LYS H 5.000 . 5.000 4.016 3.870 4.272 . 0 0 "[ . 1 .]" 1
365 1 137 LEU HA 1 140 LYS H 5.000 . 5.000 3.319 3.210 3.430 . 0 0 "[ . 1 .]" 1
366 1 138 LYS H 1 140 LYS H 5.000 . 5.000 4.229 4.046 4.394 . 0 0 "[ . 1 .]" 1
367 1 139 GLU HA 1 140 LYS H 5.000 . 5.000 3.543 3.527 3.558 . 0 0 "[ . 1 .]" 1
368 1 139 GLU H 1 140 LYS H . . 2.800 2.598 2.530 2.655 . 0 0 "[ . 1 .]" 1
369 1 138 LYS HA 1 141 PHE H 5.000 . 5.000 3.901 3.737 4.087 . 0 0 "[ . 1 .]" 1
370 1 139 GLU H 1 141 PHE H 5.000 . 5.000 3.881 3.801 3.948 . 0 0 "[ . 1 .]" 1
371 1 140 LYS H 1 141 PHE H . . 2.800 2.664 2.608 2.752 . 0 0 "[ . 1 .]" 1
372 1 140 LYS H 1 142 THR H 5.000 . 5.000 4.237 4.127 4.348 . 0 0 "[ . 1 .]" 1
373 1 141 PHE H 1 142 THR H . . 2.800 2.456 2.421 2.514 . 0 0 "[ . 1 .]" 1
374 1 141 PHE H 1 143 THR H 5.000 . 5.000 4.009 3.873 4.130 . 0 0 "[ . 1 .]" 1
375 1 142 THR H 1 143 THR H 2.800 . 2.800 2.543 2.500 2.590 . 0 0 "[ . 1 .]" 1
376 1 140 LYS HA 1 144 PHE H 5.000 . 5.000 3.448 3.343 3.680 . 0 0 "[ . 1 .]" 1
377 1 142 THR H 1 144 PHE H 5.000 . 5.000 3.977 3.875 4.157 . 0 0 "[ . 1 .]" 1
378 1 143 THR HA 1 144 PHE H 5.000 . 5.000 3.535 3.526 3.560 . 0 0 "[ . 1 .]" 1
379 1 143 THR H 1 144 PHE H 2.800 . 2.800 2.696 2.650 2.745 . 0 0 "[ . 1 .]" 1
380 1 141 PHE HA 1 145 SER H 5.000 . 5.000 4.112 4.019 4.238 . 0 0 "[ . 1 .]" 1
381 1 142 THR HA 1 145 SER H 3.400 . 3.400 3.441 3.423 3.460 0.060 15 0 "[ . 1 .]" 1
382 1 143 THR H 1 145 SER H 5.000 . 5.000 4.169 4.088 4.268 . 0 0 "[ . 1 .]" 1
383 1 144 PHE HA 1 145 SER H 5.000 . 5.000 3.547 3.521 3.559 . 0 0 "[ . 1 .]" 1
384 1 144 PHE H 1 145 SER H . . 2.800 2.681 2.640 2.728 . 0 0 "[ . 1 .]" 1
385 1 143 THR HA 1 146 LYS H 3.400 . 3.400 3.488 3.469 3.506 0.106 13 0 "[ . 1 .]" 1
386 1 144 PHE H 1 146 LYS H 5.000 . 5.000 4.184 4.078 4.288 . 0 0 "[ . 1 .]" 1
387 1 143 THR HA 1 147 ALA H 5.000 . 5.000 3.325 3.166 3.460 . 0 0 "[ . 1 .]" 1
388 1 145 SER H 1 147 ALA H 5.000 . 5.000 4.036 3.959 4.116 . 0 0 "[ . 1 .]" 1
389 1 146 LYS H 1 147 ALA H . . 2.800 2.565 2.538 2.601 . 0 0 "[ . 1 .]" 1
390 1 146 LYS H 1 148 GLN H 5.000 . 5.000 4.029 3.954 4.119 . 0 0 "[ . 1 .]" 1
391 1 147 ALA H 1 148 GLN H 2.800 . 2.800 2.636 2.598 2.675 . 0 0 "[ . 1 .]" 1
392 1 15 ASP HA 1 18 LEU H 3.400 . 3.400 3.398 3.231 3.427 0.027 12 0 "[ . 1 .]" 1
393 1 17 PHE H 1 18 LEU H 2.800 . 2.800 2.256 2.081 2.411 . 0 0 "[ . 1 .]" 1
394 1 18 LEU HA 1 19 GLY H 2.800 . 2.800 2.369 2.291 2.487 . 0 0 "[ . 1 .]" 1
395 1 18 LEU HB3 1 19 GLY H 3.400 . 3.400 3.310 2.935 3.405 0.005 7 0 "[ . 1 .]" 1
396 1 18 LEU MD1 1 19 GLY H 5.000 . 5.000 3.661 3.001 4.217 . 0 0 "[ . 1 .]" 1
397 1 18 LEU HG 1 19 GLY H 3.400 . 3.400 2.226 1.973 2.815 . 0 0 "[ . 1 .]" 1
398 1 19 GLY H 1 19 GLY HA2 2.800 . 2.800 2.442 2.387 2.480 . 0 0 "[ . 1 .]" 1
399 1 19 GLY H 1 20 ARG H 5.000 . 5.000 4.520 4.476 4.557 . 0 0 "[ . 1 .]" 1
400 1 20 ARG H 1 20 ARG HG3 2.800 . 2.800 1.996 1.919 2.179 . 0 0 "[ . 1 .]" 1
401 1 20 ARG HA 1 21 TRP H 2.800 . 2.800 2.190 2.184 2.196 . 0 0 "[ . 1 .]" 1
402 1 20 ARG HD2 1 21 TRP H 5.000 . 5.000 3.782 3.540 4.146 . 0 0 "[ . 1 .]" 1
403 1 20 ARG HG3 1 21 TRP H 5.000 . 5.000 4.670 4.571 4.786 . 0 0 "[ . 1 .]" 1
404 1 22 TYR H 1 22 TYR HB3 3.400 . 3.400 3.533 3.510 3.550 0.150 14 0 "[ . 1 .]" 1
405 1 22 TYR H 1 22 TYR HB2 3.400 . 3.400 2.554 2.240 2.881 . 0 0 "[ . 1 .]" 1
406 1 22 TYR HA 1 23 SER H 2.800 . 2.800 2.355 2.311 2.368 . 0 0 "[ . 1 .]" 1
407 1 22 TYR HB3 1 23 SER H 5.000 . 5.000 2.690 2.603 2.800 . 0 0 "[ . 1 .]" 1
408 1 23 SER HA 1 24 ALA H . . 2.800 2.306 2.175 2.399 . 0 0 "[ . 1 .]" 1
409 1 24 ALA MB 1 25 GLY H 5.000 . 5.000 3.699 3.669 3.731 . 0 0 "[ . 1 .]" 1
410 1 24 ALA H 1 25 GLY H . . 2.800 2.109 1.977 2.443 . 0 0 "[ . 1 .]" 1
411 1 26 LEU H 1 26 LEU HG 5.000 . 5.000 4.497 4.104 4.782 . 0 0 "[ . 1 .]" 1
412 1 26 LEU HA 1 27 ALA H 2.800 . 2.800 2.208 2.161 2.254 . 0 0 "[ . 1 .]" 1
413 1 27 ALA MB 1 28 SER H 5.000 . 5.000 3.207 3.192 3.223 . 0 0 "[ . 1 .]" 1
414 1 41 TYR HB3 1 42 MET H 5.000 . 5.000 3.314 2.617 3.679 . 0 0 "[ . 1 .]" 1
415 1 19 GLY H 1 46 VAL MG1 5.000 . 5.000 3.647 3.207 4.047 . 0 0 "[ . 1 .]" 1
416 1 45 THR HA 1 46 VAL H . . 2.800 2.157 2.112 2.184 . 0 0 "[ . 1 .]" 1
417 1 46 VAL H 1 46 VAL HB 2.800 . 2.800 2.694 2.632 2.742 . 0 0 "[ . 1 .]" 1
418 1 46 VAL H 1 46 VAL MG2 3.400 . 3.400 2.528 2.320 2.756 . 0 0 "[ . 1 .]" 1
419 1 19 GLY HA2 1 47 VAL H 5.000 . 5.000 4.401 3.982 4.750 . 0 0 "[ . 1 .]" 1
420 1 19 GLY H 1 47 VAL H 3.400 . 3.400 3.246 2.963 3.405 0.005 5 0 "[ . 1 .]" 1
421 1 46 VAL HA 1 47 VAL H 2.800 . 2.800 2.185 2.148 2.246 . 0 0 "[ . 1 .]" 1
422 1 47 VAL MG2 1 48 ALA H 5.000 . 5.000 4.084 4.034 4.257 . 0 0 "[ . 1 .]" 1
423 1 49 PRO HA 1 50 SER H 2.800 . 2.800 2.225 2.178 2.274 . 0 0 "[ . 1 .]" 1
424 1 49 PRO HB2 1 50 SER H 3.400 . 3.400 3.293 3.095 3.453 0.053 6 0 "[ . 1 .]" 1
425 1 50 SER H 1 50 SER HB3 3.400 . 3.400 3.252 3.206 3.294 . 0 0 "[ . 1 .]" 1
426 1 50 SER H 1 50 SER HB2 2.800 . 2.800 2.275 2.159 2.383 . 0 0 "[ . 1 .]" 1
427 1 52 GLU H 1 53 GLY H 5.000 . 5.000 3.556 1.921 4.046 . 0 0 "[ . 1 .]" 1
428 1 50 SER HB2 1 54 GLY H 5.000 . 5.000 3.550 2.986 3.913 . 0 0 "[ . 1 .]" 1
429 1 50 SER H 1 54 GLY H 3.400 . 3.400 3.444 3.417 3.468 0.068 2 0 "[ . 1 .]" 1
430 1 51 THR HA 1 54 GLY H 5.000 . 5.000 4.849 4.696 5.091 0.091 2 0 "[ . 1 .]" 1
431 1 52 GLU HB3 1 54 GLY H 5.000 . 5.000 4.942 4.678 5.027 0.027 14 0 "[ . 1 .]" 1
432 1 52 GLU HB2 1 54 GLY H 5.000 . 5.000 4.141 3.822 4.435 . 0 0 "[ . 1 .]" 1
433 1 53 GLY HA2 1 54 GLY H 3.400 . 3.400 2.734 2.577 2.863 . 0 0 "[ . 1 .]" 1
434 1 50 SER H 1 55 LEU HA 2.800 . 2.800 2.156 2.093 2.222 . 0 0 "[ . 1 .]" 1
435 1 54 GLY HA2 1 55 LEU H 2.800 . 2.800 2.831 2.635 2.936 0.136 12 0 "[ . 1 .]" 1
436 1 55 LEU H 1 55 LEU HB3 2.800 . 2.800 2.805 2.732 2.853 0.053 15 0 "[ . 1 .]" 1
437 1 48 ALA H 1 56 ASN HB3 5.000 . 5.000 4.660 4.393 4.951 . 0 0 "[ . 1 .]" 1
438 1 48 ALA MB 1 56 ASN H 5.000 . 5.000 3.794 3.541 3.971 . 0 0 "[ . 1 .]" 1
439 1 48 ALA H 1 56 ASN H 3.400 . 3.400 3.377 3.145 3.426 0.026 11 0 "[ . 1 .]" 1
440 1 49 PRO HA 1 56 ASN H 5.000 . 5.000 3.276 3.092 3.517 . 0 0 "[ . 1 .]" 1
441 1 55 LEU HB3 1 56 ASN H 5.000 . 5.000 3.761 3.487 4.014 . 0 0 "[ . 1 .]" 1
442 1 48 ALA H 1 57 LEU HA 5.000 . 5.000 3.291 2.945 3.564 . 0 0 "[ . 1 .]" 1
443 1 56 ASN HA 1 57 LEU H 2.800 . 2.800 2.165 2.150 2.176 . 0 0 "[ . 1 .]" 1
444 1 46 VAL MG1 1 58 THR H 5.000 . 5.000 3.925 3.611 4.084 . 0 0 "[ . 1 .]" 1
445 1 46 VAL H 1 58 THR H 5.000 . 5.000 3.153 2.862 3.488 . 0 0 "[ . 1 .]" 1
446 1 57 LEU HB3 1 58 THR H 5.000 . 5.000 4.062 3.295 4.342 . 0 0 "[ . 1 .]" 1
447 1 46 VAL H 1 59 SER HA 3.400 . 3.400 3.394 3.150 3.435 0.035 11 0 "[ . 1 .]" 1
448 1 45 THR HA 1 60 THR H 3.400 . 3.400 3.304 2.914 3.415 0.015 2 0 "[ . 1 .]" 1
449 1 60 THR H 1 60 THR HB 3.400 . 3.400 2.960 2.550 3.409 0.009 12 0 "[ . 1 .]" 1
450 1 42 MET H 1 61 PHE HB2 5.000 . 5.000 4.767 4.461 5.013 0.013 13 0 "[ . 1 .]" 1
451 1 60 THR HA 1 61 PHE H 2.800 . 2.800 2.179 2.141 2.211 . 0 0 "[ . 1 .]" 1
452 1 60 THR H 1 61 PHE H 5.000 . 5.000 4.380 4.091 4.471 . 0 0 "[ . 1 .]" 1
453 1 61 PHE H 1 61 PHE HB2 3.400 . 3.400 3.236 3.127 3.352 . 0 0 "[ . 1 .]" 1
454 1 42 MET H 1 62 LEU H . . 4.000 2.912 2.112 4.012 0.012 15 0 "[ . 1 .]" 1
455 1 61 PHE HA 1 62 LEU H 2.800 . 2.800 2.215 2.110 2.354 . 0 0 "[ . 1 .]" 1
456 1 61 PHE HB3 1 62 LEU H 5.000 . 5.000 3.451 2.911 3.957 . 0 0 "[ . 1 .]" 1
457 1 62 LEU H 1 62 LEU HB3 2.800 . 2.800 2.771 2.483 2.944 0.144 2 0 "[ . 1 .]" 1
458 1 42 MET H 1 63 ARG HA 5.000 . 5.000 3.618 3.166 4.334 . 0 0 "[ . 1 .]" 1
459 1 66 GLN HA 1 67 ALA H 2.800 . 2.800 2.717 2.243 2.808 0.008 10 0 "[ . 1 .]" 1
460 1 67 ALA H 1 67 ALA MB 3.400 . 3.400 2.318 2.109 2.519 . 0 0 "[ . 1 .]" 1
461 1 61 PHE HB2 1 68 GLU H 5.000 . 5.000 3.750 3.006 4.127 . 0 0 "[ . 1 .]" 1
462 1 61 PHE H 1 68 GLU H . . 4.000 2.794 2.540 3.253 . 0 0 "[ . 1 .]" 1
463 1 62 LEU HA 1 68 GLU H 5.000 . 5.000 3.863 3.342 4.387 . 0 0 "[ . 1 .]" 1
464 1 67 ALA MB 1 68 GLU H 5.000 . 5.000 3.005 2.682 3.327 . 0 0 "[ . 1 .]" 1
465 1 68 GLU H 1 68 GLU HB3 3.400 . 3.400 3.107 2.420 3.414 0.014 3 0 "[ . 1 .]" 1
466 1 68 GLU H 1 68 GLU HG3 5.000 . 5.000 4.327 3.766 4.777 . 0 0 "[ . 1 .]" 1
467 1 61 PHE H 1 69 THR HA 5.000 . 5.000 4.117 3.589 4.636 . 0 0 "[ . 1 .]" 1
468 1 68 GLU HA 1 69 THR H 2.800 . 2.800 2.288 2.149 2.350 . 0 0 "[ . 1 .]" 1
469 1 68 GLU HB2 1 69 THR H 5.000 . 5.000 4.203 3.888 4.572 . 0 0 "[ . 1 .]" 1
470 1 68 GLU HG3 1 69 THR H 5.000 . 5.000 3.254 2.004 4.723 . 0 0 "[ . 1 .]" 1
471 1 69 THR H 1 69 THR HB 2.800 . 2.800 2.708 2.512 2.801 0.001 15 0 "[ . 1 .]" 1
472 1 59 SER H 1 70 LYS H . . 4.000 3.629 3.338 3.909 . 0 0 "[ . 1 .]" 1
473 1 60 THR HA 1 70 LYS H 3.400 . 3.400 3.031 2.656 3.403 0.003 4 0 "[ . 1 .]" 1
474 1 69 THR H 1 70 LYS H 5.000 . 5.000 4.291 4.177 4.497 . 0 0 "[ . 1 .]" 1
475 1 70 LYS H 1 70 LYS HB2 3.400 . 3.400 2.889 2.562 3.183 . 0 0 "[ . 1 .]" 1
476 1 59 SER H 1 71 ILE HA 3.400 . 3.400 3.393 3.196 3.425 0.025 7 0 "[ . 1 .]" 1
477 1 57 LEU H 1 72 MET H 5.000 . 5.000 3.843 3.581 4.317 . 0 0 "[ . 1 .]" 1
478 1 58 THR HA 1 72 MET H 5.000 . 5.000 3.133 2.929 3.410 . 0 0 "[ . 1 .]" 1
479 1 71 ILE MG 1 72 MET H 5.000 . 5.000 2.977 2.192 4.015 . 0 0 "[ . 1 .]" 1
480 1 72 MET H 1 73 VAL HB 5.000 . 5.000 5.013 4.900 5.033 0.033 12 0 "[ . 1 .]" 1
481 1 72 MET HA 1 73 VAL H 2.800 . 2.800 2.155 2.145 2.164 . 0 0 "[ . 1 .]" 1
482 1 72 MET HB2 1 73 VAL H 5.000 . 5.000 4.551 4.466 4.566 . 0 0 "[ . 1 .]" 1
483 1 73 VAL H 1 73 VAL HB 2.800 . 2.800 2.829 2.818 2.847 0.047 15 0 "[ . 1 .]" 1
484 1 55 LEU HB3 1 74 LEU H 2.800 . 2.800 2.820 2.732 2.849 0.049 2 0 "[ . 1 .]" 1
485 1 55 LEU H 1 74 LEU H . . 4.000 3.277 3.078 3.760 . 0 0 "[ . 1 .]" 1
486 1 56 ASN HA 1 74 LEU H 3.400 . 3.400 3.292 2.920 3.437 0.037 5 0 "[ . 1 .]" 1
487 1 73 VAL HA 1 74 LEU H 2.800 . 2.800 2.167 2.132 2.189 . 0 0 "[ . 1 .]" 1
488 1 73 VAL H 1 74 LEU H 5.000 . 5.000 4.468 4.425 4.504 . 0 0 "[ . 1 .]" 1
489 1 54 GLY H 1 75 GLN HA 5.000 . 5.000 5.070 5.043 5.101 0.101 8 0 "[ . 1 .]" 1
490 1 55 LEU H 1 75 GLN HA 5.000 . 5.000 2.841 2.425 3.029 . 0 0 "[ . 1 .]" 1
491 1 74 LEU HA 1 75 GLN H 2.800 . 2.800 2.161 2.141 2.187 . 0 0 "[ . 1 .]" 1
492 1 76 PRO HA 1 77 ALA H 2.800 . 2.800 2.132 2.122 2.154 . 0 0 "[ . 1 .]" 1
493 1 78 GLY HA3 1 79 ALA H 5.000 . 5.000 2.746 2.527 2.887 . 0 0 "[ . 1 .]" 1
494 1 78 GLY HA2 1 79 ALA H 5.000 . 5.000 3.552 3.521 3.574 . 0 0 "[ . 1 .]" 1
495 1 79 ALA H 1 81 GLY H 5.000 . 5.000 5.007 5.004 5.014 0.014 2 0 "[ . 1 .]" 1
496 1 80 PRO HA 1 81 GLY H 2.800 . 2.800 2.320 2.314 2.329 . 0 0 "[ . 1 .]" 1
497 1 77 ALA H 1 82 HIS HB2 5.000 . 5.000 4.918 4.263 5.007 0.007 4 0 "[ . 1 .]" 1
498 1 81 GLY HA3 1 82 HIS H 3.400 . 3.400 3.350 3.027 3.464 0.064 7 0 "[ . 1 .]" 1
499 1 81 GLY HA2 1 82 HIS H 5.000 . 5.000 3.136 2.933 3.456 . 0 0 "[ . 1 .]" 1
500 1 81 GLY H 1 82 HIS H 3.400 . 3.400 1.936 1.842 1.995 . 0 0 "[ . 1 .]" 1
501 1 82 HIS H 1 82 HIS HB3 3.400 . 3.400 3.121 2.852 3.410 0.010 2 0 "[ . 1 .]" 1
502 1 82 HIS H 1 82 HIS HB2 3.400 . 3.400 2.701 2.326 2.853 . 0 0 "[ . 1 .]" 1
503 1 77 ALA H 1 83 TYR HA 2.800 . 2.800 2.486 2.183 2.803 0.003 15 0 "[ . 1 .]" 1
504 1 77 ALA H 1 83 TYR HB3 5.000 . 5.000 3.958 3.627 4.281 . 0 0 "[ . 1 .]" 1
505 1 82 HIS HA 1 83 TYR H 2.800 . 2.800 2.166 2.158 2.175 . 0 0 "[ . 1 .]" 1
506 1 82 HIS H 1 83 TYR H 5.000 . 5.000 4.225 4.077 4.408 . 0 0 "[ . 1 .]" 1
507 1 75 GLN HB2 1 84 THR H 5.000 . 5.000 4.263 3.628 4.882 . 0 0 "[ . 1 .]" 1
508 1 75 GLN H 1 84 THR H 5.000 . 5.000 3.405 2.960 3.623 . 0 0 "[ . 1 .]" 1
509 1 77 ALA H 1 84 THR H 5.000 . 5.000 4.582 4.312 4.909 . 0 0 "[ . 1 .]" 1
510 1 83 TYR HA 1 84 THR H 2.800 . 2.800 2.438 2.382 2.505 . 0 0 "[ . 1 .]" 1
511 1 83 TYR HB3 1 84 THR H 3.400 . 3.400 2.646 2.566 2.752 . 0 0 "[ . 1 .]" 1
512 1 83 TYR HB2 1 84 THR H 3.400 . 3.400 2.990 2.796 3.142 . 0 0 "[ . 1 .]" 1
513 1 83 TYR H 1 84 THR H 5.000 . 5.000 4.440 4.426 4.454 . 0 0 "[ . 1 .]" 1
514 1 91 GLY HA3 1 92 SER H 5.000 . 5.000 2.425 2.137 3.411 . 0 0 "[ . 1 .]" 1
515 1 91 GLY H 1 92 SER H 5.000 . 5.000 4.263 2.759 4.647 . 0 0 "[ . 1 .]" 1
516 1 92 SER H 1 92 SER HB2 2.800 . 2.800 2.827 2.504 2.900 0.100 9 0 "[ . 1 .]" 1
517 1 92 SER H 1 93 ILE H 5.000 . 5.000 3.213 2.932 3.906 . 0 0 "[ . 1 .]" 1
518 1 85 TYR H 1 94 HIS H 5.000 . 5.000 4.047 3.610 4.451 . 0 0 "[ . 1 .]" 1
519 1 86 SER HA 1 94 HIS H 2.800 . 2.800 2.746 2.380 2.829 0.029 14 0 "[ . 1 .]" 1
520 1 94 HIS H 1 95 SER H 5.000 . 5.000 4.320 4.162 4.472 . 0 0 "[ . 1 .]" 1
521 1 82 HIS H 1 97 SER HA 5.000 . 5.000 4.831 4.648 5.025 0.025 15 0 "[ . 1 .]" 1
522 1 83 TYR H 1 97 SER HA 5.000 . 5.000 3.479 3.237 3.790 . 0 0 "[ . 1 .]" 1
523 1 97 SER HA 1 98 VAL H 2.800 . 2.800 2.410 2.307 2.481 . 0 0 "[ . 1 .]" 1
524 1 98 VAL HA 1 99 VAL H 2.800 . 2.800 2.151 2.135 2.175 . 0 0 "[ . 1 .]" 1
525 1 99 VAL H 1 99 VAL HB 3.400 . 3.400 2.567 2.510 2.616 . 0 0 "[ . 1 .]" 1
526 1 99 VAL HA 1 100 GLU H 5.000 . 5.000 3.579 3.566 3.590 . 0 0 "[ . 1 .]" 1
527 1 99 VAL HB 1 100 GLU H 2.800 . 2.800 2.183 1.994 2.476 . 0 0 "[ . 1 .]" 1
528 1 99 VAL MG1 1 100 GLU H 5.000 . 5.000 3.182 2.991 3.509 . 0 0 "[ . 1 .]" 1
529 1 99 VAL H 1 100 GLU H . . 2.800 2.660 2.382 2.820 0.020 8 0 "[ . 1 .]" 1
530 1 100 GLU HB2 1 101 ALA H 3.400 . 3.400 2.592 2.349 2.808 . 0 0 "[ . 1 .]" 1
531 1 102 ASN H 1 106 TYR H 5.000 . 5.000 4.959 4.295 5.053 0.053 4 0 "[ . 1 .]" 1
532 1 105 GLU HB3 1 106 TYR H 5.000 . 5.000 2.767 1.971 3.620 . 0 0 "[ . 1 .]" 1
533 1 100 GLU H 1 107 ALA HA 5.000 . 5.000 4.968 4.729 5.032 0.032 15 0 "[ . 1 .]" 1
534 1 99 VAL HB 1 108 LEU H 5.000 . 5.000 4.210 3.877 4.452 . 0 0 "[ . 1 .]" 1
535 1 99 VAL H 1 108 LEU H 5.000 . 5.000 4.264 4.002 4.561 . 0 0 "[ . 1 .]" 1
536 1 100 GLU H 1 108 LEU H . . 4.000 3.081 2.690 3.238 . 0 0 "[ . 1 .]" 1
537 1 107 ALA MB 1 108 LEU H 5.000 . 5.000 2.734 2.235 3.010 . 0 0 "[ . 1 .]" 1
538 1 99 VAL H 1 109 LEU HA 3.400 . 3.400 2.080 1.904 2.373 . 0 0 "[ . 1 .]" 1
539 1 100 GLU H 1 109 LEU HA 5.000 . 5.000 4.333 4.230 4.508 . 0 0 "[ . 1 .]" 1
540 1 97 SER H 1 110 PHE H 2.800 . 2.800 2.820 2.699 2.849 0.049 1 0 "[ . 1 .]" 1
541 1 99 VAL HB 1 110 PHE H 5.000 . 5.000 5.010 4.985 5.032 0.032 12 0 "[ . 1 .]" 1
542 1 99 VAL H 1 110 PHE H 5.000 . 5.000 3.726 3.330 4.104 . 0 0 "[ . 1 .]" 1
543 1 109 LEU HA 1 110 PHE H . . 2.800 2.319 2.272 2.351 . 0 0 "[ . 1 .]" 1
544 1 97 SER H 1 111 SER HA 5.000 . 5.000 3.558 3.335 3.735 . 0 0 "[ . 1 .]" 1
545 1 97 SER H 1 111 SER HB3 5.000 . 5.000 5.023 5.006 5.047 0.047 1 0 "[ . 1 .]" 1
546 1 110 PHE HA 1 111 SER H 2.800 . 2.800 2.165 2.132 2.265 . 0 0 "[ . 1 .]" 1
547 1 110 PHE HB3 1 111 SER H 5.000 . 5.000 3.757 3.150 4.071 . 0 0 "[ . 1 .]" 1
548 1 95 SER H 1 112 ARG H 3.400 . 3.400 3.337 2.926 3.425 0.025 1 0 "[ . 1 .]" 1
549 1 95 SER H 1 113 GLY HA3 5.000 . 5.000 3.895 3.193 5.014 0.014 15 0 "[ . 1 .]" 1
550 1 112 ARG HA 1 113 GLY H . . 2.800 2.290 2.158 2.559 . 0 0 "[ . 1 .]" 1
551 1 112 ARG H 1 113 GLY H 5.000 . 5.000 4.227 3.689 4.426 . 0 0 "[ . 1 .]" 1
552 1 93 ILE H 1 114 THR H 5.000 . 5.000 4.086 3.557 4.527 . 0 0 "[ . 1 .]" 1
553 1 113 GLY HA3 1 114 THR H 3.400 . 3.400 2.508 2.137 3.367 . 0 0 "[ . 1 .]" 1
554 1 113 GLY HA2 1 114 THR H 3.400 . 3.400 2.730 2.136 3.191 . 0 0 "[ . 1 .]" 1
555 1 113 GLY H 1 114 THR H 5.000 . 5.000 4.334 4.148 4.591 . 0 0 "[ . 1 .]" 1
556 1 93 ILE H 1 115 LYS HA 2.800 . 2.800 1.955 1.885 2.051 . 0 0 "[ . 1 .]" 1
557 1 113 GLY HA3 1 121 PHE H 5.000 . 5.000 4.514 3.553 4.985 . 0 0 "[ . 1 .]" 1
558 1 113 GLY H 1 121 PHE H 5.000 . 5.000 3.512 3.187 4.476 . 0 0 "[ . 1 .]" 1
559 1 114 THR HB 1 121 PHE H 5.000 . 5.000 4.152 2.752 5.001 0.001 9 0 "[ . 1 .]" 1
560 1 120 ASP HA 1 121 PHE H 2.800 . 2.800 2.312 2.188 2.699 . 0 0 "[ . 1 .]" 1
561 1 27 ALA H 1 123 MET HA 5.000 . 5.000 4.456 4.404 4.517 . 0 0 "[ . 1 .]" 1
562 1 111 SER HB3 1 123 MET H 5.000 . 5.000 4.395 3.476 5.014 0.014 5 0 "[ . 1 .]" 1
563 1 111 SER H 1 123 MET H . . 4.000 3.789 3.407 4.022 0.022 3 0 "[ . 1 .]" 1
564 1 112 ARG HA 1 123 MET H 5.000 . 5.000 3.449 3.136 3.811 . 0 0 "[ . 1 .]" 1
565 1 27 ALA H 1 124 ALA HA 5.000 . 5.000 4.099 4.030 4.282 . 0 0 "[ . 1 .]" 1
566 1 27 ALA H 1 124 ALA MB 5.000 . 5.000 2.504 2.174 2.734 . 0 0 "[ . 1 .]" 1
567 1 27 ALA H 1 124 ALA H . . 4.000 2.341 2.287 2.393 . 0 0 "[ . 1 .]" 1
568 1 111 SER H 1 124 ALA HA 2.800 . 2.800 2.709 2.484 2.816 0.016 8 0 "[ . 1 .]" 1
569 1 123 MET HA 1 124 ALA H . . 2.800 2.325 2.317 2.341 . 0 0 "[ . 1 .]" 1
570 1 109 LEU H 1 125 THR H 3.400 . 3.400 3.269 2.979 3.419 0.019 11 0 "[ . 1 .]" 1
571 1 110 PHE HA 1 125 THR H 3.400 . 3.400 3.191 2.953 3.417 0.017 2 0 "[ . 1 .]" 1
572 1 124 ALA HA 1 125 THR H 2.800 . 2.800 2.203 2.193 2.225 . 0 0 "[ . 1 .]" 1
573 1 124 ALA MB 1 125 THR H 5.000 . 5.000 2.833 2.789 2.886 . 0 0 "[ . 1 .]" 1
574 1 25 GLY H 1 126 LEU H . . 4.000 4.044 4.027 4.076 0.076 9 0 "[ . 1 .]" 1
575 1 26 LEU HA 1 126 LEU H 5.000 . 5.000 3.192 3.074 3.306 . 0 0 "[ . 1 .]" 1
576 1 126 LEU H 1 126 LEU MD1 5.000 . 5.000 4.242 4.096 4.309 . 0 0 "[ . 1 .]" 1
577 1 25 GLY H 1 127 TYR HA 5.000 . 5.000 4.573 4.402 4.836 . 0 0 "[ . 1 .]" 1
578 1 107 ALA H 1 127 TYR H 3.400 . 3.400 3.209 3.043 3.424 0.024 14 0 "[ . 1 .]" 1
579 1 22 TYR HB3 1 128 SER H 5.000 . 5.000 4.311 3.475 4.824 . 0 0 "[ . 1 .]" 1
580 1 23 SER H 1 128 SER HB2 3.400 . 3.400 3.475 3.441 3.520 0.120 8 0 "[ . 1 .]" 1
581 1 22 TYR H 1 23 SER H 5.000 . 5.000 4.588 4.568 4.598 . 0 0 "[ . 1 .]" 1
582 1 107 ALA H 1 128 SER HA 5.000 . 5.000 4.844 4.505 5.036 0.036 12 0 "[ . 1 .]" 1
583 1 127 TYR HA 1 128 SER H 2.800 . 2.800 2.260 2.080 2.527 . 0 0 "[ . 1 .]" 1
584 1 22 TYR H 1 129 ARG HA 5.000 . 5.000 4.215 3.552 5.006 0.006 14 0 "[ . 1 .]" 1
585 1 128 SER HA 1 129 ARG H . . 2.800 2.566 2.350 2.621 . 0 0 "[ . 1 .]" 1
586 1 129 ARG HA 1 130 THR H . . 2.800 2.926 2.454 3.361 0.561 8 3 "[ .* + 1 -.]" 1
587 1 129 ARG HB3 1 130 THR H 5.000 . 5.000 3.662 1.791 4.332 0.009 14 0 "[ . 1 .]" 1
588 1 129 ARG H 1 130 THR H . . 2.800 2.267 1.882 2.841 0.041 14 0 "[ . 1 .]" 1
589 1 130 THR H 1 132 THR H 5.000 . 5.000 4.794 4.345 5.022 0.022 3 0 "[ . 1 .]" 1
590 1 131 GLN HA 1 132 THR H 5.000 . 5.000 3.530 3.513 3.554 . 0 0 "[ . 1 .]" 1
591 1 131 GLN HB3 1 132 THR H 5.000 . 5.000 2.818 1.984 3.915 . 0 0 "[ . 1 .]" 1
592 1 131 GLN HB2 1 132 THR H 5.000 . 5.000 3.097 2.409 3.806 . 0 0 "[ . 1 .]" 1
593 1 132 THR H 1 132 THR HB 2.800 . 2.800 2.851 2.772 2.908 0.108 11 0 "[ . 1 .]" 1
594 1 132 THR H 1 133 LEU H 5.000 . 5.000 4.330 4.247 4.558 . 0 0 "[ . 1 .]" 1
595 1 28 SER H 1 154 ASP HB3 5.000 . 5.000 3.999 3.565 4.484 . 0 0 "[ . 1 .]" 1
596 1 28 SER H 1 154 ASP HB2 5.000 . 5.000 4.825 4.648 5.011 0.011 11 0 "[ . 1 .]" 1
597 1 151 THR MG 1 154 ASP H 5.000 . 5.000 3.957 3.444 5.073 0.073 12 0 "[ . 1 .]" 1
598 1 151 THR H 1 154 ASP H 5.000 . 5.000 3.357 3.192 3.616 . 0 0 "[ . 1 .]" 1
599 1 153 GLU H 1 154 ASP HB2 5.000 . 5.000 4.672 4.428 4.913 . 0 0 "[ . 1 .]" 1
600 1 153 GLU HA 1 154 ASP H 3.400 . 3.400 3.374 3.302 3.419 0.019 6 0 "[ . 1 .]" 1
601 1 153 GLU HB3 1 154 ASP H 5.000 . 5.000 3.318 3.141 3.544 . 0 0 "[ . 1 .]" 1
602 1 153 GLU HB2 1 154 ASP H 5.000 . 5.000 4.208 4.105 4.339 . 0 0 "[ . 1 .]" 1
603 1 153 GLU HG3 1 154 ASP H 5.000 . 5.000 4.623 4.395 4.999 . 0 0 "[ . 1 .]" 1
604 1 153 GLU H 1 154 ASP H 2.800 . 2.800 2.696 2.675 2.750 . 0 0 "[ . 1 .]" 1
605 1 154 ASP H 1 154 ASP HB3 3.400 . 3.400 3.138 2.869 3.421 0.021 12 0 "[ . 1 .]" 1
606 1 154 ASP H 1 154 ASP HB2 2.800 . 2.800 2.744 2.466 2.813 0.013 4 0 "[ . 1 .]" 1
607 1 28 SER H 1 155 ILE H 5.000 . 5.000 3.726 3.640 3.824 . 0 0 "[ . 1 .]" 1
608 1 153 GLU HA 1 155 ILE H 5.000 . 5.000 4.221 4.102 4.308 . 0 0 "[ . 1 .]" 1
609 1 154 ASP H 1 155 ILE MD 5.000 . 5.000 3.605 2.254 4.051 . 0 0 "[ . 1 .]" 1
610 1 154 ASP HB2 1 155 ILE H 5.000 . 5.000 4.561 4.426 4.599 . 0 0 "[ . 1 .]" 1
611 1 154 ASP H 1 155 ILE H 2.800 . 2.800 2.789 2.506 2.821 0.021 12 0 "[ . 1 .]" 1
612 1 155 ILE H 1 155 ILE HB 2.800 . 2.800 2.817 2.787 2.841 0.041 14 0 "[ . 1 .]" 1
613 1 26 LEU H 1 156 VAL H 3.400 . 3.400 2.984 2.700 3.196 . 0 0 "[ . 1 .]" 1
614 1 27 ALA HA 1 156 VAL H 3.400 . 3.400 2.927 2.605 3.134 . 0 0 "[ . 1 .]" 1
615 1 27 ALA MB 1 156 VAL H 5.000 . 5.000 4.088 3.670 4.205 . 0 0 "[ . 1 .]" 1
616 1 27 ALA H 1 156 VAL H 5.000 . 5.000 4.567 4.409 4.644 . 0 0 "[ . 1 .]" 1
617 1 155 ILE HA 1 156 VAL H 2.800 . 2.800 2.137 2.115 2.156 . 0 0 "[ . 1 .]" 1
618 1 155 ILE H 1 156 VAL H 5.000 . 5.000 4.241 4.212 4.266 . 0 0 "[ . 1 .]" 1
619 1 24 ALA H 1 157 PHE HA 5.000 . 5.000 5.025 5.014 5.038 0.038 7 0 "[ . 1 .]" 1
620 1 25 GLY H 1 157 PHE HA 3.400 . 3.400 3.282 3.045 3.408 0.008 13 0 "[ . 1 .]" 1
621 1 26 LEU H 1 157 PHE HA 3.400 . 3.400 3.210 2.728 3.405 0.005 3 0 "[ . 1 .]" 1
622 1 157 PHE HA 1 158 LEU H 2.800 . 2.800 2.190 2.134 2.210 . 0 0 "[ . 1 .]" 1
623 1 21 TRP H 1 45 THR H 4.000 . 4.000 3.852 3.449 4.018 0.018 5 0 "[ . 1 .]" 1
624 1 20 ARG HA 1 47 VAL H 5.000 . 5.000 3.895 3.398 4.244 . 0 0 "[ . 1 .]" 1
625 1 19 GLY H 1 48 ALA HA 5.000 . 5.000 4.851 4.394 5.019 0.019 15 0 "[ . 1 .]" 1
626 1 21 TRP H 1 46 VAL HA 5.000 . 5.000 3.288 2.614 3.733 . 0 0 "[ . 1 .]" 1
627 1 22 TYR HA 1 45 THR H 5.000 . 5.000 4.086 3.430 4.480 . 0 0 "[ . 1 .]" 1
628 1 24 ALA H 1 128 SER HB2 5.000 . 5.000 4.107 3.664 4.559 . 0 0 "[ . 1 .]" 1
629 1 24 ALA H 1 128 SER H 5.000 . 5.000 3.559 2.945 4.136 . 0 0 "[ . 1 .]" 1
630 1 43 CYS HA 1 62 LEU H 5.000 . 5.000 4.167 3.425 4.475 . 0 0 "[ . 1 .]" 1
631 1 86 SER HA 1 93 ILE HA 3.400 2.300 3.400 2.536 2.270 2.913 0.030 4 0 "[ . 1 .]" 1
632 1 23 SER H 1 44 LYS HA 5.000 . 5.000 3.831 3.291 4.223 . 0 0 "[ . 1 .]" 1
633 1 44 LYS H 1 60 THR H . . 4.000 3.214 2.734 3.593 . 0 0 "[ . 1 .]" 1
634 1 98 VAL HA 1 110 PHE H 5.000 . 5.000 3.694 3.384 4.059 . 0 0 "[ . 1 .]" 1
635 1 106 TYR HA 1 129 ARG H 5.000 . 5.000 4.707 4.358 4.896 . 0 0 "[ . 1 .]" 1
636 1 42 MET H 1 159 PRO HB2 5.000 . 5.000 3.643 2.888 4.205 . 0 0 "[ . 1 .]" 1
637 1 23 SER H 1 43 CYS H 5.000 . 5.000 4.156 3.435 4.724 . 0 0 "[ . 1 .]" 1
638 1 22 TYR HB2 1 23 SER H 5.000 . 5.000 3.607 3.285 3.984 . 0 0 "[ . 1 .]" 1
639 1 6 ASP HA 1 7 THR H 5.000 . 5.000 3.408 3.189 3.543 . 0 0 "[ . 1 .]" 1
640 1 7 THR H 1 7 THR HA 2.800 . 2.800 2.582 2.259 2.810 0.010 13 0 "[ . 1 .]" 1
641 1 7 THR HA 1 8 VAL H . . 2.800 2.519 2.236 2.733 . 0 0 "[ . 1 .]" 1
642 1 7 THR HB 1 8 VAL H 2.800 . 2.800 2.300 1.976 2.831 0.031 14 0 "[ . 1 .]" 1
643 1 7 THR MG 1 8 VAL H 5.000 . 5.000 3.447 2.525 4.080 . 0 0 "[ . 1 .]" 1
644 1 7 THR H 1 8 VAL H 5.000 . 5.000 4.509 4.253 4.638 . 0 0 "[ . 1 .]" 1
645 1 8 VAL HB 1 9 GLN H 2.800 . 2.800 2.737 2.713 2.804 0.004 3 0 "[ . 1 .]" 1
646 1 8 VAL H 1 9 GLN H 5.000 . 5.000 4.490 4.419 4.541 . 0 0 "[ . 1 .]" 1
647 1 11 ASN HA 1 12 PHE H 2.800 . 2.800 2.351 2.226 2.493 . 0 0 "[ . 1 .]" 1
648 1 11 ASN H 1 12 PHE H 5.000 . 5.000 3.199 2.989 3.596 . 0 0 "[ . 1 .]" 1
649 1 12 PHE H 1 12 PHE HB2 3.400 . 3.400 2.811 2.672 2.941 . 0 0 "[ . 1 .]" 1
650 1 12 PHE HA 1 13 GLN H 2.800 . 2.800 2.174 2.139 2.233 . 0 0 "[ . 1 .]" 1
651 1 13 GLN H 1 13 GLN HG3 3.400 . 3.400 2.949 2.648 3.319 . 0 0 "[ . 1 .]" 1
652 1 13 GLN HA 1 14 GLN H 2.800 . 2.800 2.204 2.153 2.263 . 0 0 "[ . 1 .]" 1
653 1 13 GLN HB3 1 14 GLN H 5.000 . 5.000 3.897 3.695 4.052 . 0 0 "[ . 1 .]" 1
654 1 13 GLN HB2 1 14 GLN H 5.000 . 5.000 4.429 4.323 4.554 . 0 0 "[ . 1 .]" 1
655 1 13 GLN HB3 1 15 ASP H 5.000 . 5.000 3.474 3.254 3.776 . 0 0 "[ . 1 .]" 1
656 1 13 GLN HB2 1 15 ASP H 5.000 . 5.000 4.538 4.325 4.916 . 0 0 "[ . 1 .]" 1
657 1 14 GLN H 1 15 ASP HB2 5.000 . 5.000 4.567 4.413 4.686 . 0 0 "[ . 1 .]" 1
658 1 14 GLN HA 1 15 ASP H 5.000 . 5.000 3.514 3.476 3.547 . 0 0 "[ . 1 .]" 1
659 1 14 GLN H 1 15 ASP H 3.400 . 3.400 2.750 2.624 2.868 . 0 0 "[ . 1 .]" 1
660 1 15 ASP H 1 15 ASP HA 2.800 . 2.800 2.802 2.779 2.827 0.027 3 0 "[ . 1 .]" 1
661 1 15 ASP H 1 15 ASP HB2 2.800 . 2.800 2.065 2.060 2.072 . 0 0 "[ . 1 .]" 1
662 1 13 GLN HB3 1 16 LYS H 3.400 . 3.400 3.025 2.689 3.350 . 0 0 "[ . 1 .]" 1
663 1 13 GLN HB2 1 16 LYS H 5.000 . 5.000 3.246 2.872 3.737 . 0 0 "[ . 1 .]" 1
664 1 14 GLN HA 1 16 LYS H 5.000 . 5.000 3.821 3.621 4.010 . 0 0 "[ . 1 .]" 1
665 1 14 GLN H 1 16 LYS H 5.000 . 5.000 4.137 4.050 4.249 . 0 0 "[ . 1 .]" 1
666 1 15 ASP HA 1 16 LYS H . . 3.400 3.434 3.420 3.449 0.049 4 0 "[ . 1 .]" 1
667 1 15 ASP HB2 1 16 LYS H 5.000 . 5.000 3.470 3.404 3.547 . 0 0 "[ . 1 .]" 1
668 1 15 ASP H 1 16 LYS H 2.800 . 2.800 2.634 2.547 2.699 . 0 0 "[ . 1 .]" 1
669 1 15 ASP HA 1 17 PHE H 5.000 . 5.000 3.974 3.652 4.188 . 0 0 "[ . 1 .]" 1
670 1 15 ASP H 1 17 PHE H 5.000 . 5.000 4.082 3.977 4.247 . 0 0 "[ . 1 .]" 1
671 1 16 LYS H 1 17 PHE H 2.800 . 2.800 2.361 2.286 2.432 . 0 0 "[ . 1 .]" 1
672 1 16 LYS HA 1 18 LEU H 5.000 . 5.000 3.997 3.923 4.114 . 0 0 "[ . 1 .]" 1
673 1 17 PHE H 1 18 LEU HB3 5.000 . 5.000 4.972 4.867 5.005 0.005 7 0 "[ . 1 .]" 1
674 1 18 LEU H 1 18 LEU HB2 2.800 . 2.800 2.237 2.158 2.327 . 0 0 "[ . 1 .]" 1
675 1 18 LEU H 1 18 LEU MD1 5.000 . 5.000 3.800 3.558 4.011 . 0 0 "[ . 1 .]" 1
676 1 28 SER HA 1 29 ASN H 3.400 . 3.400 2.220 2.172 2.253 . 0 0 "[ . 1 .]" 1
677 1 29 ASN H 1 30 SER H 3.400 . 3.400 2.991 2.586 3.413 0.013 3 0 "[ . 1 .]" 1
678 1 38 ALA MB 1 39 VAL H 5.000 . 5.000 2.880 2.817 3.005 . 0 0 "[ . 1 .]" 1
679 1 38 ALA HA 1 40 LEU H 5.000 . 5.000 4.091 3.839 4.695 . 0 0 "[ . 1 .]" 1
680 1 39 VAL HA 1 40 LEU H 5.000 . 5.000 3.008 2.900 3.467 . 0 0 "[ . 1 .]" 1
681 1 39 VAL MG1 1 40 LEU H 5.000 . 5.000 4.318 4.135 4.378 . 0 0 "[ . 1 .]" 1
682 1 40 LEU H 1 40 LEU HB3 3.400 . 3.400 2.861 2.402 3.355 . 0 0 "[ . 1 .]" 1
683 1 40 LEU H 1 40 LEU MD1 5.000 . 5.000 3.881 3.405 4.536 . 0 0 "[ . 1 .]" 1
684 1 40 LEU H 1 40 LEU HG 3.400 . 3.400 2.784 1.957 3.418 0.018 10 0 "[ . 1 .]" 1
685 1 40 LEU HA 1 41 TYR H 2.800 . 2.800 2.205 2.137 2.389 . 0 0 "[ . 1 .]" 1
686 1 40 LEU HB3 1 41 TYR H 5.000 . 5.000 4.037 3.005 4.532 . 0 0 "[ . 1 .]" 1
687 1 40 LEU MD1 1 41 TYR H 5.000 . 5.000 4.343 2.951 5.010 0.010 9 0 "[ . 1 .]" 1
688 1 40 LEU HG 1 41 TYR H 5.000 . 5.000 4.619 4.005 4.999 . 0 0 "[ . 1 .]" 1
689 1 41 TYR H 1 42 MET H 5.000 . 5.000 4.515 4.471 4.581 . 0 0 "[ . 1 .]" 1
690 1 9 GLN H 1 99 VAL HA 3.400 . 3.400 3.395 3.198 3.431 0.031 8 0 "[ . 1 .]" 1
691 1 114 THR HA 1 115 LYS H 2.800 . 2.800 2.335 2.174 2.556 . 0 0 "[ . 1 .]" 1
692 1 115 LYS H 1 115 LYS HD3 5.000 . 5.000 3.602 3.033 5.008 0.008 11 0 "[ . 1 .]" 1
693 1 115 LYS HA 1 116 GLY H 3.400 . 3.400 2.442 2.139 2.562 . 0 0 "[ . 1 .]" 1
694 1 115 LYS QB 1 116 GLY H 5.000 . 5.000 2.801 2.446 3.566 . 0 0 "[ . 1 .]" 1
695 1 119 GLN H 1 119 GLN HB3 2.800 . 2.800 2.800 2.746 2.866 0.066 6 0 "[ . 1 .]" 1
696 1 119 GLN H 1 119 GLN HB2 . . 2.800 2.710 2.447 2.813 0.013 8 0 "[ . 1 .]" 1
697 1 119 GLN HA 1 120 ASP H 5.000 . 5.000 3.153 2.476 3.576 . 0 0 "[ . 1 .]" 1
698 1 119 GLN HB3 1 120 ASP H 5.000 . 5.000 3.167 1.937 4.384 . 0 0 "[ . 1 .]" 1
699 1 119 GLN H 1 120 ASP H 5.000 . 5.000 2.734 2.013 4.524 . 0 0 "[ . 1 .]" 1
700 1 114 THR H 1 121 PHE H 5.000 . 5.000 4.590 3.888 5.003 0.003 12 0 "[ . 1 .]" 1
701 1 119 GLN H 1 121 PHE H 5.000 . 5.000 4.713 3.858 5.007 0.007 13 0 "[ . 1 .]" 1
702 1 120 ASP H 1 121 PHE H 3.400 . 3.400 3.266 2.914 3.417 0.017 11 0 "[ . 1 .]" 1
703 1 12 PHE HD1 1 13 GLN H 2.800 . 2.800 2.777 2.555 2.805 0.005 8 0 "[ . 1 .]" 1
704 1 12 PHE HD1 1 14 GLN H 3.400 . 3.400 2.919 2.433 3.177 . 0 0 "[ . 1 .]" 1
705 1 16 LYS H 1 17 PHE QD 3.400 . 3.400 3.318 3.074 3.410 0.010 12 0 "[ . 1 .]" 1
706 1 17 PHE H 1 17 PHE QD 3.400 . 3.400 2.435 2.081 2.898 . 0 0 "[ . 1 .]" 1
707 1 17 PHE H 1 17 PHE QE 5.000 . 5.000 4.593 4.186 4.899 . 0 0 "[ . 1 .]" 1
708 1 17 PHE QD 1 18 LEU H 5.000 . 5.000 4.479 4.261 4.664 . 0 0 "[ . 1 .]" 1
709 1 21 TRP H 1 21 TRP HD1 3.400 . 3.400 3.382 3.322 3.418 0.018 2 0 "[ . 1 .]" 1
710 1 22 TYR H 1 22 TYR HD1 2.800 . 2.800 2.798 2.536 2.860 0.060 15 0 "[ . 1 .]" 1
711 1 22 TYR HD1 1 23 SER H 5.000 . 5.000 4.479 4.259 4.689 . 0 0 "[ . 1 .]" 1
712 1 41 TYR H 1 41 TYR QD 5.000 . 5.000 2.394 2.225 2.576 . 0 0 "[ . 1 .]" 1
713 1 41 TYR H 1 41 TYR HE1 5.000 . 5.000 3.898 3.715 5.017 0.017 3 0 "[ . 1 .]" 1
714 1 61 PHE H 1 61 PHE HD1 3.400 . 3.400 2.338 1.955 2.707 . 0 0 "[ . 1 .]" 1
715 1 61 PHE HD1 1 62 LEU H 5.000 . 5.000 4.996 4.840 5.109 0.109 6 0 "[ . 1 .]" 1
716 1 61 PHE HD1 1 68 GLU H 5.000 . 5.000 4.376 2.856 5.039 0.039 8 0 "[ . 1 .]" 1
717 1 61 PHE HE1 1 70 LYS H 3.400 . 3.400 3.417 3.404 3.438 0.038 6 0 "[ . 1 .]" 1
718 1 75 GLN H 1 83 TYR HD1 5.000 . 5.000 5.039 5.022 5.050 0.050 1 0 "[ . 1 .]" 1
719 1 77 ALA H 1 83 TYR HD1 2.800 . 2.800 2.874 2.824 2.908 0.108 4 0 "[ . 1 .]" 1
720 1 81 GLY H 1 83 TYR HE1 3.400 . 3.400 2.804 2.033 3.178 . 0 0 "[ . 1 .]" 1
721 1 82 HIS H 1 83 TYR HD1 5.000 . 5.000 3.859 3.789 3.925 . 0 0 "[ . 1 .]" 1
722 1 82 HIS H 1 83 TYR HE1 3.400 . 3.400 3.418 3.406 3.431 0.031 10 0 "[ . 1 .]" 1
723 1 83 TYR H 1 83 TYR HD2 2.800 . 2.800 3.142 2.881 3.446 0.646 11 7 "[ . **+***-]" 1
724 1 83 TYR H 1 83 TYR HE2 5.000 . 5.000 4.631 4.387 4.917 . 0 0 "[ . 1 .]" 1
725 1 17 PHE QE 1 105 GLU H 2.800 . 2.800 2.753 2.341 2.833 0.033 12 0 "[ . 1 .]" 1
726 1 106 TYR H 1 106 TYR QD 2.800 . 2.800 2.548 2.199 2.704 . 0 0 "[ . 1 .]" 1
727 1 106 TYR H 1 106 TYR QE 5.000 . 5.000 3.998 3.723 4.247 . 0 0 "[ . 1 .]" 1
728 1 113 GLY H 1 121 PHE QD 5.000 . 5.000 4.737 3.985 4.933 . 0 0 "[ . 1 .]" 1
729 1 120 ASP H 1 121 PHE QD 5.000 . 5.000 4.075 3.057 4.859 . 0 0 "[ . 1 .]" 1
730 1 121 PHE H 1 121 PHE QD 5.000 . 5.000 2.698 1.987 3.713 . 0 0 "[ . 1 .]" 1
731 1 24 ALA H 1 127 TYR QD 5.000 . 5.000 4.859 4.723 4.907 . 0 0 "[ . 1 .]" 1
732 1 45 THR H 1 127 TYR QD 5.000 . 5.000 3.864 3.422 4.224 . 0 0 "[ . 1 .]" 1
733 1 126 LEU H 1 127 TYR QD 5.000 . 5.000 4.737 4.682 4.794 . 0 0 "[ . 1 .]" 1
734 1 126 LEU H 1 127 TYR QE 5.000 . 5.000 4.904 4.867 4.942 . 0 0 "[ . 1 .]" 1
735 1 127 TYR H 1 127 TYR QD . . 2.800 2.740 2.588 2.818 0.018 8 0 "[ . 1 .]" 1
736 1 106 TYR QE 1 129 ARG H 5.000 . 5.000 4.037 2.472 4.985 . 0 0 "[ . 1 .]" 1
737 1 106 TYR QD 1 130 THR H 5.000 . 5.000 4.998 4.875 5.070 0.070 13 0 "[ . 1 .]" 1
738 1 141 PHE H 1 141 PHE HD1 3.400 . 3.400 3.555 3.488 3.612 0.212 13 0 "[ . 1 .]" 1
739 1 141 PHE HD1 1 142 THR H 3.400 . 3.400 2.111 2.013 2.200 . 0 0 "[ . 1 .]" 1
740 1 144 PHE H 1 144 PHE HD1 5.000 . 5.000 4.439 4.394 4.486 . 0 0 "[ . 1 .]" 1
741 1 144 PHE HD1 1 145 SER H 2.800 . 2.800 2.835 2.817 2.895 0.095 1 0 "[ . 1 .]" 1
742 1 26 LEU H 1 157 PHE HD1 2.800 . 2.800 2.846 2.827 2.914 0.114 14 0 "[ . 1 .]" 1
743 1 157 PHE H 1 157 PHE HD1 2.800 . 2.800 2.617 2.347 2.847 0.047 11 0 "[ . 1 .]" 1
744 1 127 TYR HA 1 127 TYR QD 2.800 . 2.800 2.803 2.781 2.818 0.018 6 0 "[ . 1 .]" 1
745 1 20 ARG HA 1 46 VAL HA 3.500 2.300 3.500 2.510 2.290 2.795 0.010 6 0 "[ . 1 .]" 1
746 1 45 THR HA 1 59 SER HA 3.500 2.300 3.500 2.289 2.245 2.376 0.055 14 0 "[ . 1 .]" 1
747 1 58 THR HA 1 71 ILE HA 3.500 2.300 3.500 2.840 2.620 3.217 . 0 0 "[ . 1 .]" 1
748 1 62 LEU HA 1 67 ALA HA 3.500 2.300 3.500 2.510 2.266 2.839 0.034 2 0 "[ . 1 .]" 1
749 1 63 ARG H 1 66 GLN H 4.000 . 4.000 3.647 2.928 4.042 0.042 11 0 "[ . 1 .]" 1
750 1 21 TRP HA 1 22 TYR H 2.500 . 2.800 2.160 2.133 2.235 . 0 0 "[ . 1 .]" 1
751 1 24 ALA HA 1 25 GLY H 2.500 . 2.800 2.761 2.629 2.821 0.021 14 0 "[ . 1 .]" 1
752 1 41 TYR HA 1 42 MET H 2.500 . 2.800 2.356 2.207 2.506 . 0 0 "[ . 1 .]" 1
753 1 42 MET HA 1 43 CYS H 2.500 . 2.800 2.397 2.141 2.623 . 0 0 "[ . 1 .]" 1
754 1 43 CYS HA 1 44 LYS H 2.500 . 2.800 2.117 2.093 2.158 . 0 0 "[ . 1 .]" 1
755 1 44 LYS HA 1 45 THR H 2.500 . 2.800 2.238 2.157 2.317 . 0 0 "[ . 1 .]" 1
756 1 47 VAL HA 1 48 ALA H 2.500 . 2.800 2.168 2.153 2.182 . 0 0 "[ . 1 .]" 1
757 1 55 LEU HA 1 56 ASN H 2.500 . 2.800 2.237 2.165 2.340 . 0 0 "[ . 1 .]" 1
758 1 57 LEU HA 1 58 THR H 2.500 . 2.800 2.152 2.136 2.169 . 0 0 "[ . 1 .]" 1
759 1 58 THR HA 1 59 SER H 2.500 . 2.800 2.141 2.136 2.145 . 0 0 "[ . 1 .]" 1
760 1 59 SER HA 1 60 THR H 2.500 . 2.800 2.163 2.121 2.257 . 0 0 "[ . 1 .]" 1
761 1 62 LEU HA 1 63 ARG H 2.500 . 2.800 2.133 2.112 2.163 . 0 0 "[ . 1 .]" 1
762 1 67 ALA HA 1 68 GLU H 2.500 . 2.800 2.194 2.140 2.273 . 0 0 "[ . 1 .]" 1
763 1 69 THR HA 1 70 LYS H 2.500 . 2.800 2.132 2.120 2.144 . 0 0 "[ . 1 .]" 1
764 1 70 LYS HA 1 71 ILE H 2.500 . 2.800 2.324 2.239 2.385 . 0 0 "[ . 1 .]" 1
765 1 71 ILE HA 1 72 MET H 2.500 . 2.800 2.146 2.121 2.175 . 0 0 "[ . 1 .]" 1
766 1 84 THR HA 1 85 TYR H 2.500 . 2.800 2.154 2.137 2.268 . 0 0 "[ . 1 .]" 1
767 1 85 TYR HA 1 86 SER H 2.500 . 2.800 2.602 2.281 2.811 0.011 10 0 "[ . 1 .]" 1
768 1 93 ILE HA 1 94 HIS H 2.500 . 2.800 2.260 2.142 2.517 . 0 0 "[ . 1 .]" 1
769 1 94 HIS HA 1 95 SER H 2.500 . 2.800 2.237 2.163 2.334 . 0 0 "[ . 1 .]" 1
770 1 95 SER HA 1 96 VAL H 2.500 . 2.800 2.268 2.137 2.427 . 0 0 "[ . 1 .]" 1
771 1 96 VAL HA 1 97 SER H 2.500 . 2.800 2.233 2.171 2.276 . 0 0 "[ . 1 .]" 1
772 1 107 ALA HA 1 108 LEU H 2.500 . 2.800 2.259 2.171 2.454 . 0 0 "[ . 1 .]" 1
773 1 108 LEU HA 1 109 LEU H 2.500 . 2.800 2.170 2.137 2.253 . 0 0 "[ . 1 .]" 1
774 1 111 SER HA 1 112 ARG H 2.500 . 2.800 2.185 2.121 2.335 . 0 0 "[ . 1 .]" 1
775 1 122 ARG HA 1 123 MET H 2.500 . 2.800 2.218 2.159 2.309 . 0 0 "[ . 1 .]" 1
776 1 125 THR HA 1 126 LEU H 2.500 . 2.800 2.166 2.145 2.203 . 0 0 "[ . 1 .]" 1
777 1 126 LEU HA 1 127 TYR H 2.500 . 2.800 2.163 2.138 2.183 . 0 0 "[ . 1 .]" 1
778 1 135 ASP H 1 136 GLU H 2.500 . 2.800 2.643 2.578 2.720 . 0 0 "[ . 1 .]" 1
779 1 28 SER H 1 150 LEU MD2 5.000 . 6.500 4.719 4.468 4.981 . 0 0 "[ . 1 .]" 1
780 1 29 ASN H 1 150 LEU MD1 5.000 . 6.500 5.055 4.725 5.387 . 0 0 "[ . 1 .]" 1
781 1 26 LEU H 1 141 PHE HZ 3.400 . 3.400 2.963 2.756 3.109 . 0 0 "[ . 1 .]" 1
782 1 28 SER H 1 150 LEU HG 5.000 . 6.500 6.244 5.873 6.499 . 0 0 "[ . 1 .]" 1
783 1 26 LEU H 1 141 PHE HE2 3.400 . 3.400 3.424 3.403 3.445 0.045 4 0 "[ . 1 .]" 1
784 1 26 LEU H 1 141 PHE HE1 5.000 . 6.500 4.366 4.123 4.744 . 0 0 "[ . 1 .]" 1
785 1 27 ALA MB 1 150 LEU MD2 3.400 . 3.400 2.670 2.226 3.041 . 0 0 "[ . 1 .]" 1
786 1 27 ALA MB 1 145 SER HB2 3.400 . 3.400 3.356 3.216 3.433 0.033 6 0 "[ . 1 .]" 1
787 1 126 LEU MD2 1 137 LEU MD2 3.400 . 3.400 3.154 2.595 3.451 0.051 14 0 "[ . 1 .]" 1
788 1 27 ALA MB 1 141 PHE HE1 3.400 . 3.400 3.467 3.448 3.493 0.093 14 0 "[ . 1 .]" 1
789 1 27 ALA MB 1 141 PHE HD1 5.000 . 6.500 4.763 4.618 4.897 . 0 0 "[ . 1 .]" 1
790 1 8 VAL HA 1 9 GLN H 2.800 . 2.800 2.274 2.243 2.286 . 0 0 "[ . 1 .]" 1
791 1 12 PHE HB3 1 13 GLN H 5.000 . 5.000 3.946 3.742 4.088 . 0 0 "[ . 1 .]" 1
792 1 13 GLN HA 1 16 LYS H 5.000 . 5.000 4.250 4.057 4.548 . 0 0 "[ . 1 .]" 1
793 1 13 GLN H 1 16 LYS H 5.000 . 5.000 4.837 4.645 5.006 0.006 12 0 "[ . 1 .]" 1
794 1 14 GLN HA 1 17 PHE H 3.400 . 3.400 3.260 3.170 3.407 0.007 3 0 "[ . 1 .]" 1
795 1 24 ALA H 1 25 GLY HA3 5.000 . 5.000 3.950 3.902 4.012 . 0 0 "[ . 1 .]" 1
796 1 33 PHE HB3 1 34 ARG H 5.000 . 5.000 3.279 2.638 3.886 . 0 0 "[ . 1 .]" 1
797 1 33 PHE HB2 1 34 ARG H 5.000 . 5.000 3.336 2.781 4.014 . 0 0 "[ . 1 .]" 1
798 1 34 ARG H 1 34 ARG HB3 2.800 . 2.800 2.709 2.444 2.861 0.061 15 0 "[ . 1 .]" 1
799 1 34 ARG HA 1 36 LYS H 5.000 . 5.000 3.774 3.668 3.957 . 0 0 "[ . 1 .]" 1
800 1 39 VAL HB 1 40 LEU H 5.000 . 5.000 4.318 3.644 4.438 . 0 0 "[ . 1 .]" 1
801 1 18 LEU HA 1 47 VAL H 5.000 . 5.000 4.371 4.125 4.662 . 0 0 "[ . 1 .]" 1
802 1 46 VAL HB 1 47 VAL H 5.000 . 5.000 4.066 3.875 4.308 . 0 0 "[ . 1 .]" 1
803 1 51 THR HB 1 52 GLU H 5.000 . 5.000 2.729 2.206 4.387 . 0 0 "[ . 1 .]" 1
804 1 52 GLU HB3 1 53 GLY H 5.000 . 5.000 2.725 2.432 3.233 . 0 0 "[ . 1 .]" 1
805 1 52 GLU HB2 1 53 GLY H 5.000 . 5.000 2.223 1.988 2.537 . 0 0 "[ . 1 .]" 1
806 1 53 GLY H 1 53 GLY HA2 2.800 . 2.800 2.787 2.688 2.833 0.033 13 0 "[ . 1 .]" 1
807 1 53 GLY HA3 1 54 GLY H 5.000 . 5.000 3.568 3.559 3.577 . 0 0 "[ . 1 .]" 1
808 1 50 SER H 1 55 LEU HB3 5.000 . 5.000 5.015 4.866 5.051 0.051 6 0 "[ . 1 .]" 1
809 1 58 THR H 1 58 THR HB 2.800 . 2.800 2.656 2.513 2.801 0.001 15 0 "[ . 1 .]" 1
810 1 42 MET H 1 61 PHE HA 5.000 . 5.000 4.417 4.066 4.765 . 0 0 "[ . 1 .]" 1
811 1 60 THR HB 1 61 PHE H 5.000 . 5.000 3.992 3.399 4.223 . 0 0 "[ . 1 .]" 1
812 1 61 PHE HB2 1 62 LEU H 5.000 . 5.000 3.521 2.998 4.068 . 0 0 "[ . 1 .]" 1
813 1 62 LEU H 1 62 LEU HB2 3.400 . 3.400 2.703 2.220 3.368 . 0 0 "[ . 1 .]" 1
814 1 60 THR MG 1 70 LYS H 5.000 . 5.000 4.485 3.369 5.008 0.008 5 0 "[ . 1 .]" 1
815 1 69 THR HB 1 70 LYS H 5.000 . 5.000 4.239 4.111 4.320 . 0 0 "[ . 1 .]" 1
816 1 71 ILE HG13 1 72 MET H 5.000 . 5.000 3.968 2.100 4.998 . 0 0 "[ . 1 .]" 1
817 1 73 VAL HB 1 74 LEU H 5.000 . 5.000 4.196 4.142 4.271 . 0 0 "[ . 1 .]" 1
818 1 74 LEU HB3 1 75 GLN H 5.000 . 5.000 3.450 3.223 4.364 . 0 0 "[ . 1 .]" 1
819 1 55 LEU H 1 76 PRO HD2 5.000 . 5.000 3.920 3.198 4.581 . 0 0 "[ . 1 .]" 1
820 1 75 GLN H 1 76 PRO HD2 5.000 . 5.000 4.856 4.693 5.079 0.079 11 0 "[ . 1 .]" 1
821 1 76 PRO HB3 1 77 ALA H 5.000 . 5.000 3.748 3.524 3.882 . 0 0 "[ . 1 .]" 1
822 1 77 ALA MB 1 79 ALA H 5.000 . 5.000 3.312 2.995 3.820 . 0 0 "[ . 1 .]" 1
823 1 80 PRO HB2 1 81 GLY H 5.000 . 5.000 4.359 4.353 4.367 . 0 0 "[ . 1 .]" 1
824 1 75 GLN H 1 83 TYR HB3 5.000 . 5.000 2.972 2.704 3.150 . 0 0 "[ . 1 .]" 1
825 1 82 HIS HB2 1 83 TYR H 5.000 . 5.000 4.514 4.395 4.597 . 0 0 "[ . 1 .]" 1
826 1 92 SER HB2 1 93 ILE H 5.000 . 5.000 4.632 4.567 4.666 . 0 0 "[ . 1 .]" 1
827 1 97 SER H 1 97 SER HB2 3.400 . 3.400 2.935 2.619 3.265 . 0 0 "[ . 1 .]" 1
828 1 98 VAL HA 1 100 GLU H 5.000 . 5.000 4.387 4.138 4.622 . 0 0 "[ . 1 .]" 1
829 1 105 GLU HB2 1 106 TYR H 5.000 . 5.000 2.799 1.942 3.947 . 0 0 "[ . 1 .]" 1
830 1 115 LYS H 1 115 LYS QB 2.800 . 2.800 1.998 1.934 2.086 . 0 0 "[ . 1 .]" 1
831 1 126 LEU HG 1 127 TYR H 5.000 . 5.000 3.728 3.579 4.214 . 0 0 "[ . 1 .]" 1
832 1 132 THR HA 1 133 LEU H 2.800 . 2.800 2.759 2.441 2.846 0.046 1 0 "[ . 1 .]" 1
833 1 132 THR HB 1 133 LEU H 5.000 . 5.000 3.099 2.250 3.779 . 0 0 "[ . 1 .]" 1
834 1 133 LEU H 1 133 LEU HB3 2.800 . 2.800 2.578 2.294 2.824 0.024 12 0 "[ . 1 .]" 1
835 1 133 LEU H 1 133 LEU HG 3.400 . 3.400 2.495 2.112 2.946 . 0 0 "[ . 1 .]" 1
836 1 133 LEU HA 1 134 LYS H 2.800 . 2.800 2.268 2.166 2.340 . 0 0 "[ . 1 .]" 1
837 1 134 LYS HA 1 135 ASP H 3.400 . 3.400 2.161 2.136 2.182 . 0 0 "[ . 1 .]" 1
838 1 135 ASP HB2 1 136 GLU H 5.000 . 5.000 2.698 2.631 2.836 . 0 0 "[ . 1 .]" 1
839 1 136 GLU H 1 136 GLU HB2 3.400 . 3.400 2.412 2.274 2.489 . 0 0 "[ . 1 .]" 1
840 1 134 LYS H 1 137 LEU MD1 5.000 . 5.000 2.694 2.021 3.654 . 0 0 "[ . 1 .]" 1
841 1 135 ASP HB2 1 137 LEU H 5.000 . 5.000 5.122 5.108 5.151 0.151 13 0 "[ . 1 .]" 1
842 1 136 GLU HB3 1 137 LEU H 3.400 . 3.400 3.381 3.204 3.420 0.020 10 0 "[ . 1 .]" 1
843 1 137 LEU H 1 137 LEU MD1 5.000 . 5.000 3.101 2.980 3.189 . 0 0 "[ . 1 .]" 1
844 1 138 LYS H 1 138 LYS HB3 2.800 . 2.800 2.561 2.102 2.833 0.033 14 0 "[ . 1 .]" 1
845 1 138 LYS H 1 138 LYS HB2 2.800 . 2.800 2.410 2.166 2.849 0.049 12 0 "[ . 1 .]" 1
846 1 138 LYS HD3 1 139 GLU H 5.000 . 5.000 4.047 2.947 5.005 0.005 4 0 "[ . 1 .]" 1
847 1 139 GLU HB3 1 140 LYS H 5.000 . 5.000 2.988 2.868 3.169 . 0 0 "[ . 1 .]" 1
848 1 139 GLU HG2 1 140 LYS H 5.000 . 5.000 2.013 1.934 2.136 . 0 0 "[ . 1 .]" 1
849 1 139 GLU HB3 1 141 PHE H 5.000 . 5.000 5.131 5.099 5.167 0.167 8 0 "[ . 1 .]" 1
850 1 141 PHE H 1 141 PHE HB3 2.800 . 2.800 2.149 2.123 2.174 . 0 0 "[ . 1 .]" 1
851 1 139 GLU HG2 1 143 THR H 5.000 . 5.000 5.039 5.025 5.051 0.051 1 0 "[ . 1 .]" 1
852 1 143 THR H 1 143 THR HA 2.800 . 2.800 2.805 2.799 2.815 0.015 8 0 "[ . 1 .]" 1
853 1 143 THR H 1 143 THR HB 2.800 . 2.800 2.521 2.501 2.543 . 0 0 "[ . 1 .]" 1
854 1 143 THR HA 1 145 SER H 5.000 . 5.000 4.476 4.409 4.556 . 0 0 "[ . 1 .]" 1
855 1 145 SER H 1 145 SER HA 2.800 . 2.800 2.831 2.821 2.836 0.036 4 0 "[ . 1 .]" 1
856 1 145 SER H 1 145 SER HB3 3.400 . 3.400 2.678 2.126 3.333 . 0 0 "[ . 1 .]" 1
857 1 145 SER H 1 145 SER HB2 3.400 . 3.400 2.833 2.085 3.515 0.115 8 0 "[ . 1 .]" 1
858 1 145 SER HB2 1 146 LYS H 5.000 . 5.000 3.633 3.078 4.068 . 0 0 "[ . 1 .]" 1
859 1 146 LYS H 1 146 LYS HA 2.800 . 2.800 2.841 2.837 2.845 0.045 14 0 "[ . 1 .]" 1
860 1 146 LYS H 1 146 LYS HB3 2.800 . 2.800 2.148 2.094 2.274 . 0 0 "[ . 1 .]" 1
861 1 146 LYS H 1 146 LYS HG3 3.400 . 3.400 3.260 2.829 3.425 0.025 4 0 "[ . 1 .]" 1
862 1 146 LYS HA 1 147 ALA H 5.000 . 5.000 3.521 3.502 3.543 . 0 0 "[ . 1 .]" 1
863 1 147 ALA H 1 147 ALA HA 2.800 . 2.800 2.807 2.791 2.819 0.019 12 0 "[ . 1 .]" 1
864 1 147 ALA H 1 147 ALA MB 2.800 . 2.800 2.236 2.211 2.246 . 0 0 "[ . 1 .]" 1
865 1 146 LYS HG3 1 149 GLY H 5.000 . 5.000 5.020 5.010 5.035 0.035 9 0 "[ . 1 .]" 1
866 1 148 GLN H 1 149 GLY HA2 5.000 . 5.000 4.968 4.882 4.998 . 0 0 "[ . 1 .]" 1
867 1 149 GLY H 1 149 GLY HA2 2.800 . 2.800 2.411 2.358 2.556 . 0 0 "[ . 1 .]" 1
868 1 146 LYS HA 1 150 LEU H 2.800 . 2.800 2.363 2.002 2.500 . 0 0 "[ . 1 .]" 1
869 1 146 LYS HB3 1 150 LEU H 5.000 . 5.000 4.879 4.456 5.004 0.004 4 0 "[ . 1 .]" 1
870 1 146 LYS HG3 1 150 LEU H 5.000 . 5.000 4.950 4.827 5.015 0.015 9 0 "[ . 1 .]" 1
871 1 147 ALA HA 1 150 LEU H 5.000 . 5.000 4.963 4.747 5.016 0.016 7 0 "[ . 1 .]" 1
872 1 149 GLY HA2 1 150 LEU H 5.000 . 5.000 2.453 2.398 2.629 . 0 0 "[ . 1 .]" 1
873 1 150 LEU H 1 150 LEU MD2 5.000 . 5.000 4.857 4.696 4.912 . 0 0 "[ . 1 .]" 1
874 1 151 THR HA 1 152 GLU H 2.800 . 2.800 2.815 2.788 2.831 0.031 3 0 "[ . 1 .]" 1
875 1 151 THR MG 1 152 GLU H 5.000 . 5.000 2.398 1.866 2.637 . 0 0 "[ . 1 .]" 1
876 1 151 THR MG 1 153 GLU H 5.000 . 5.000 2.381 1.902 3.628 . 0 0 "[ . 1 .]" 1
877 1 151 THR H 1 154 ASP HB3 5.000 . 5.000 3.585 3.228 4.146 . 0 0 "[ . 1 .]" 1
878 1 151 THR H 1 154 ASP HB2 3.400 . 3.400 3.182 2.744 3.410 0.010 4 0 "[ . 1 .]" 1
879 1 154 ASP H 1 155 ILE HA 5.000 . 5.000 4.764 4.603 4.856 . 0 0 "[ . 1 .]" 1
880 1 154 ASP H 1 155 ILE HB 5.000 . 5.000 4.153 3.981 4.261 . 0 0 "[ . 1 .]" 1
881 1 155 ILE H 1 155 ILE MD 5.000 . 5.000 3.861 2.946 4.253 . 0 0 "[ . 1 .]" 1
882 1 26 LEU HB3 1 156 VAL H 5.000 . 5.000 3.730 3.375 4.229 . 0 0 "[ . 1 .]" 1
883 1 155 ILE HB 1 156 VAL H 5.000 . 5.000 4.152 4.046 4.249 . 0 0 "[ . 1 .]" 1
884 1 157 PHE H 1 157 PHE HB3 3.400 . 3.400 3.533 3.513 3.541 0.141 2 0 "[ . 1 .]" 1
885 1 157 PHE HB3 1 158 LEU H 5.000 . 5.000 3.123 3.034 3.389 . 0 0 "[ . 1 .]" 1
886 1 157 PHE HB2 1 158 LEU H 5.000 . 5.000 4.164 3.306 4.372 . 0 0 "[ . 1 .]" 1
887 1 159 PRO HB3 1 160 GLN H 3.400 . 3.400 2.959 2.858 3.397 . 0 0 "[ . 1 .]" 1
888 1 161 PRO HA 1 162 ASP H 2.800 . 2.800 2.345 2.154 2.536 . 0 0 "[ . 1 .]" 1
889 1 162 ASP HA 1 163 LYS H 2.800 . 2.800 2.624 2.357 2.805 0.005 10 0 "[ . 1 .]" 1
890 1 163 LYS H 1 163 LYS HB2 2.800 . 2.800 2.533 2.093 2.894 0.094 13 0 "[ . 1 .]" 1
891 1 164 ALA H 1 164 ALA HA 2.800 . 2.800 2.819 2.783 2.852 0.052 9 0 "[ . 1 .]" 1
892 1 164 ALA H 1 164 ALA MB 2.800 . 2.800 2.173 2.039 2.249 . 0 0 "[ . 1 .]" 1
893 1 164 ALA MB 1 165 ILE H 5.000 . 5.000 2.650 2.313 2.958 . 0 0 "[ . 1 .]" 1
894 1 165 ILE H 1 165 ILE MD 5.000 . 5.000 3.464 2.142 3.880 . 0 0 "[ . 1 .]" 1
895 1 165 ILE H 1 165 ILE HG13 3.400 . 3.400 2.563 1.966 3.429 0.029 7 0 "[ . 1 .]" 1
896 1 165 ILE H 1 165 ILE HG12 3.400 . 3.400 2.696 1.897 3.447 0.047 11 0 "[ . 1 .]" 1
897 1 165 ILE MD 1 166 GLN H 5.000 . 5.000 4.030 2.629 4.712 . 0 0 "[ . 1 .]" 1
898 1 166 GLN H 1 166 GLN HB2 3.400 . 3.400 2.691 2.127 3.487 0.087 6 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 79
_Distance_constraint_stats_list.Viol_count 163
_Distance_constraint_stats_list.Viol_total 21.817
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0089
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLN 0.034 0.007 8 0 "[ . 1 .]"
1 17 PHE 0.002 0.002 13 0 "[ . 1 .]"
1 19 GLY 0.015 0.008 13 0 "[ . 1 .]"
1 21 TRP 0.039 0.007 6 0 "[ . 1 .]"
1 23 SER 0.249 0.028 4 0 "[ . 1 .]"
1 25 GLY 0.096 0.027 9 0 "[ . 1 .]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 42 MET 0.165 0.039 11 0 "[ . 1 .]"
1 43 CYS 0.249 0.028 4 0 "[ . 1 .]"
1 44 LYS 0.015 0.006 15 0 "[ . 1 .]"
1 45 THR 0.037 0.007 6 0 "[ . 1 .]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 47 VAL 0.015 0.008 13 0 "[ . 1 .]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 50 SER 0.000 0.000 . 0 "[ . 1 .]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 55 LEU 0.040 0.013 5 0 "[ . 1 .]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 58 THR 0.000 0.000 . 0 "[ . 1 .]"
1 59 SER 0.006 0.006 4 0 "[ . 1 .]"
1 60 THR 0.015 0.006 15 0 "[ . 1 .]"
1 61 PHE 0.002 0.002 14 0 "[ . 1 .]"
1 62 LEU 0.165 0.039 11 0 "[ . 1 .]"
1 68 GLU 0.002 0.002 14 0 "[ . 1 .]"
1 70 LYS 0.006 0.006 4 0 "[ . 1 .]"
1 72 MET 0.000 0.000 . 0 "[ . 1 .]"
1 74 LEU 0.040 0.013 5 0 "[ . 1 .]"
1 75 GLN 0.285 0.027 2 0 "[ . 1 .]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 82 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 83 TYR 0.011 0.007 15 0 "[ . 1 .]"
1 84 THR 0.285 0.027 2 0 "[ . 1 .]"
1 85 TYR 0.014 0.010 5 0 "[ . 1 .]"
1 93 ILE 0.106 0.025 1 0 "[ . 1 .]"
1 94 HIS 0.014 0.010 5 0 "[ . 1 .]"
1 95 SER 0.062 0.009 5 0 "[ . 1 .]"
1 96 VAL 0.011 0.007 15 0 "[ . 1 .]"
1 97 SER 0.000 0.000 . 0 "[ . 1 .]"
1 98 VAL 0.034 0.007 8 0 "[ . 1 .]"
1 100 GLU 0.020 0.006 14 0 "[ . 1 .]"
1 107 ALA 0.004 0.004 4 0 "[ . 1 .]"
1 108 LEU 0.020 0.006 14 0 "[ . 1 .]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 110 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 111 SER 0.002 0.002 1 0 "[ . 1 .]"
1 112 ARG 0.062 0.009 5 0 "[ . 1 .]"
1 113 GLY 0.012 0.008 10 0 "[ . 1 .]"
1 114 THR 0.106 0.025 1 0 "[ . 1 .]"
1 121 PHE 0.012 0.008 10 0 "[ . 1 .]"
1 123 MET 0.002 0.002 1 0 "[ . 1 .]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 125 THR 0.000 0.000 . 0 "[ . 1 .]"
1 126 LEU 0.096 0.027 9 0 "[ . 1 .]"
1 127 TYR 0.004 0.004 4 0 "[ . 1 .]"
1 137 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 138 LYS 0.080 0.012 13 0 "[ . 1 .]"
1 140 LYS 0.093 0.015 15 0 "[ . 1 .]"
1 141 PHE 0.104 0.015 4 0 "[ . 1 .]"
1 142 THR 0.080 0.012 13 0 "[ . 1 .]"
1 144 PHE 0.093 0.015 15 0 "[ . 1 .]"
1 145 SER 0.104 0.015 4 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 GLY O 1 47 VAL N 3.300 2.500 3.500 3.190 2.821 3.437 . 0 0 "[ . 1 .]" 2
2 1 19 GLY O 1 47 VAL H 2.300 . 2.500 2.270 1.842 2.508 0.008 13 0 "[ . 1 .]" 2
3 1 21 TRP O 1 45 THR N 3.300 2.500 3.500 3.057 2.809 3.214 . 0 0 "[ . 1 .]" 2
4 1 21 TRP O 1 45 THR H 2.300 . 2.500 2.422 2.194 2.507 0.007 6 0 "[ . 1 .]" 2
5 1 21 TRP N 1 45 THR O 3.300 2.500 3.500 2.959 2.633 3.176 . 0 0 "[ . 1 .]" 2
6 1 23 SER N 1 43 CYS O 3.300 2.500 3.500 3.092 2.918 3.281 . 0 0 "[ . 1 .]" 2
7 1 23 SER H 1 43 CYS O 2.300 . 2.500 2.517 2.501 2.528 0.028 4 0 "[ . 1 .]" 2
8 1 50 SER N 1 54 GLY O 3.300 2.500 3.500 2.692 2.589 2.844 . 0 0 "[ . 1 .]" 2
9 1 50 SER H 1 54 GLY O 2.300 . 2.500 1.730 1.634 1.869 . 0 0 "[ . 1 .]" 2
10 1 48 ALA O 1 56 ASN N 3.300 2.500 3.500 2.570 2.519 2.841 . 0 0 "[ . 1 .]" 2
11 1 48 ALA O 1 56 ASN H 2.300 . 2.500 1.633 1.574 1.865 . 0 0 "[ . 1 .]" 2
12 1 46 VAL O 1 58 THR N 3.300 2.500 3.500 2.961 2.723 3.127 . 0 0 "[ . 1 .]" 2
13 1 46 VAL O 1 58 THR H 2.300 . 2.500 2.165 1.800 2.466 . 0 0 "[ . 1 .]" 2
14 1 44 LYS O 1 60 THR N 3.300 2.500 3.500 3.236 2.732 3.473 . 0 0 "[ . 1 .]" 2
15 1 44 LYS O 1 60 THR H 2.300 . 2.500 2.338 1.814 2.506 0.006 15 0 "[ . 1 .]" 2
16 1 44 LYS N 1 60 THR O 3.300 2.500 3.500 2.944 2.698 3.278 . 0 0 "[ . 1 .]" 2
17 1 42 MET O 1 62 LEU N 3.300 2.500 3.500 3.218 2.669 3.394 . 0 0 "[ . 1 .]" 2
18 1 42 MET O 1 62 LEU H 2.300 . 2.500 2.398 1.711 2.539 0.039 11 0 "[ . 1 .]" 2
19 1 61 PHE O 1 68 GLU H 2.300 . 2.500 2.124 1.772 2.502 0.002 14 0 "[ . 1 .]" 2
20 1 59 SER O 1 70 LYS N 3.300 2.500 3.500 2.719 2.525 3.181 . 0 0 "[ . 1 .]" 2
21 1 59 SER N 1 70 LYS O 3.300 2.500 3.500 2.974 2.779 3.252 . 0 0 "[ . 1 .]" 2
22 1 59 SER H 1 70 LYS O 2.300 . 2.500 2.194 1.985 2.506 0.006 4 0 "[ . 1 .]" 2
23 1 57 LEU O 1 72 MET N 3.300 2.500 3.500 2.854 2.694 3.153 . 0 0 "[ . 1 .]" 2
24 1 57 LEU O 1 72 MET H 2.300 . 2.500 2.075 1.937 2.384 . 0 0 "[ . 1 .]" 2
25 1 57 LEU N 1 72 MET O 3.300 2.500 3.500 2.622 2.505 2.829 . 0 0 "[ . 1 .]" 2
26 1 57 LEU H 1 72 MET O 2.300 . 2.500 1.798 1.677 2.048 . 0 0 "[ . 1 .]" 2
27 1 55 LEU O 1 74 LEU N 3.300 2.500 3.500 2.746 2.593 2.987 . 0 0 "[ . 1 .]" 2
28 1 55 LEU O 1 74 LEU H 2.300 . 2.500 1.844 1.683 2.114 . 0 0 "[ . 1 .]" 2
29 1 55 LEU N 1 74 LEU O 3.300 2.500 3.500 2.526 2.487 2.591 0.013 5 0 "[ . 1 .]" 2
30 1 55 LEU H 1 74 LEU O 2.300 . 2.500 1.789 1.652 1.968 . 0 0 "[ . 1 .]" 2
31 1 75 GLN O 1 84 THR N 3.300 2.500 3.500 3.410 3.375 3.444 . 0 0 "[ . 1 .]" 2
32 1 75 GLN O 1 84 THR H 2.300 . 2.500 2.519 2.510 2.527 0.027 2 0 "[ . 1 .]" 2
33 1 77 ALA N 1 82 HIS O 3.300 2.500 3.500 2.553 2.512 2.587 . 0 0 "[ . 1 .]" 2
34 1 77 ALA H 1 82 HIS O 2.300 . 2.500 1.661 1.607 1.702 . 0 0 "[ . 1 .]" 2
35 1 83 TYR N 1 96 VAL O 3.300 2.500 3.500 3.318 3.095 3.460 . 0 0 "[ . 1 .]" 2
36 1 83 TYR H 1 96 VAL O 2.300 . 2.500 2.363 2.128 2.507 0.007 15 0 "[ . 1 .]" 2
37 1 85 TYR N 1 94 HIS O 3.300 2.500 3.500 2.953 2.572 3.422 . 0 0 "[ . 1 .]" 2
38 1 85 TYR H 1 94 HIS O 2.300 . 2.500 2.164 1.788 2.510 0.010 5 0 "[ . 1 .]" 2
39 1 93 ILE O 1 114 THR N 3.300 2.500 3.500 3.327 3.141 3.462 . 0 0 "[ . 1 .]" 2
40 1 93 ILE O 1 114 THR H 2.300 . 2.500 2.492 2.299 2.525 0.025 1 0 "[ . 1 .]" 2
41 1 95 SER O 1 112 ARG H 2.300 . 2.500 2.203 1.828 2.485 . 0 0 "[ . 1 .]" 2
42 1 95 SER N 1 112 ARG O 3.300 2.500 3.500 3.381 3.199 3.483 . 0 0 "[ . 1 .]" 2
43 1 95 SER H 1 112 ARG O 2.300 . 2.500 2.486 2.354 2.509 0.009 5 0 "[ . 1 .]" 2
44 1 97 SER O 1 110 PHE N 3.300 2.500 3.500 2.765 2.593 3.100 . 0 0 "[ . 1 .]" 2
45 1 97 SER N 1 110 PHE O 3.300 2.500 3.500 2.869 2.596 3.275 . 0 0 "[ . 1 .]" 2
46 1 97 SER H 1 110 PHE O 2.300 . 2.500 1.940 1.663 2.354 . 0 0 "[ . 1 .]" 2
47 1 100 GLU O 1 108 LEU N 3.300 2.500 3.500 2.990 2.757 3.323 . 0 0 "[ . 1 .]" 2
48 1 100 GLU N 1 108 LEU O 3.300 2.500 3.500 3.281 3.098 3.445 . 0 0 "[ . 1 .]" 2
49 1 100 GLU H 1 108 LEU O 2.300 . 2.500 2.390 2.182 2.506 0.006 14 0 "[ . 1 .]" 2
50 1 107 ALA O 1 127 TYR N 3.300 2.500 3.500 2.945 2.650 3.457 . 0 0 "[ . 1 .]" 2
51 1 107 ALA O 1 127 TYR H 2.300 . 2.500 1.993 1.677 2.504 0.004 4 0 "[ . 1 .]" 2
52 1 109 LEU O 1 125 THR N 3.300 2.500 3.500 2.812 2.595 3.082 . 0 0 "[ . 1 .]" 2
53 1 109 LEU O 1 125 THR H 2.300 . 2.500 1.867 1.634 2.132 . 0 0 "[ . 1 .]" 2
54 1 109 LEU N 1 125 THR O 3.300 2.500 3.500 2.606 2.528 2.689 . 0 0 "[ . 1 .]" 2
55 1 111 SER O 1 123 MET N 3.300 2.500 3.500 2.944 2.594 3.299 . 0 0 "[ . 1 .]" 2
56 1 111 SER O 1 123 MET H 2.300 . 2.500 2.130 1.749 2.502 0.002 1 0 "[ . 1 .]" 2
57 1 111 SER N 1 123 MET O 3.300 2.500 3.500 2.711 2.522 2.979 . 0 0 "[ . 1 .]" 2
58 1 111 SER H 1 123 MET O 2.300 . 2.500 1.859 1.630 2.121 . 0 0 "[ . 1 .]" 2
59 1 113 GLY O 1 121 PHE N 3.300 2.500 3.500 2.802 2.559 3.297 . 0 0 "[ . 1 .]" 2
60 1 113 GLY O 1 121 PHE H 2.300 . 2.500 1.970 1.626 2.502 0.002 6 0 "[ . 1 .]" 2
61 1 113 GLY N 1 121 PHE O 3.300 2.500 3.500 3.075 2.716 3.437 . 0 0 "[ . 1 .]" 2
62 1 113 GLY H 1 121 PHE O 2.300 . 2.500 2.223 1.826 2.508 0.008 10 0 "[ . 1 .]" 2
63 1 27 ALA N 1 124 ALA O 3.300 2.500 3.500 2.777 2.588 2.995 . 0 0 "[ . 1 .]" 2
64 1 27 ALA H 1 124 ALA O 2.300 . 2.500 1.879 1.674 2.121 . 0 0 "[ . 1 .]" 2
65 1 27 ALA O 1 124 ALA N 3.300 2.500 3.500 2.585 2.532 2.705 . 0 0 "[ . 1 .]" 2
66 1 27 ALA O 1 124 ALA H 2.300 . 2.500 1.699 1.665 1.826 . 0 0 "[ . 1 .]" 2
67 1 25 GLY O 1 126 LEU N 3.300 2.500 3.500 2.513 2.473 2.673 0.027 9 0 "[ . 1 .]" 2
68 1 25 GLY O 1 126 LEU H 2.300 . 2.500 1.766 1.676 1.931 . 0 0 "[ . 1 .]" 2
69 1 9 GLN N 1 98 VAL O 3.300 2.500 3.500 3.312 2.942 3.427 . 0 0 "[ . 1 .]" 2
70 1 9 GLN H 1 98 VAL O 2.300 . 2.500 2.420 2.024 2.507 0.007 8 0 "[ . 1 .]" 2
71 1 17 PHE O 1 21 TRP HE1 2.300 . 2.500 2.401 2.207 2.502 0.002 13 0 "[ . 1 .]" 2
72 1 137 LEU O 1 141 PHE H 2.300 . 2.300 1.814 1.697 2.036 . 0 0 "[ . 1 .]" 2
73 1 138 LYS O 1 142 THR H 2.300 . 2.300 2.289 2.168 2.312 0.012 13 0 "[ . 1 .]" 2
74 1 140 LYS O 1 144 PHE H 2.300 . 2.300 2.301 2.249 2.315 0.015 15 0 "[ . 1 .]" 2
75 1 141 PHE O 1 145 SER H 2.300 . 2.300 2.300 2.203 2.315 0.015 4 0 "[ . 1 .]" 2
76 1 137 LEU O 1 141 PHE N 3.300 2.500 3.300 2.686 2.564 2.862 . 0 0 "[ . 1 .]" 2
77 1 138 LYS O 1 142 THR N 3.300 2.500 3.300 3.165 3.102 3.200 . 0 0 "[ . 1 .]" 2
78 1 140 LYS O 1 144 PHE N 3.300 2.500 3.300 3.140 3.094 3.211 . 0 0 "[ . 1 .]" 2
79 1 141 PHE O 1 145 SER N 3.300 2.500 3.300 3.187 3.083 3.220 . 0 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 3:07:17 AM GMT (wattos1)